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1105.4335
Jordi Garcia-Ojalvo
Jordi Garcia-Ojalvo
Physical approaches to the dynamics of genetic circuits: A tutorial
36 pages, 8 figures, 153 references, to be published in Contemporary Physics
Contemporary Physics Vol. 52, No. 5, 439-464 (2011)
10.1080/00107514.2011.588432
null
q-bio.MN nlin.AO physics.bio-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Cellular behavior is governed by gene regulatory processes that are intrinsically dynamic and nonlinear, and are subject to non-negligible amounts of random fluctuations. Such conditions are ubiquitous in physical systems, where they have been studied for decades using the tools of statistical and nonlinear physics. The goal of this review is to show how approaches traditionally used in physics can help in reaching a systems-level understanding of living cells. To that end, we present an overview of the dynamical phenomena exhibited by genetic circuits and their functional significance. We also describe the theoretical and experimental approaches that are being used to unravel the relationship between circuit structure and function in dynamical cellular processes under the influence of noise, both at the single-cell level and in cellular populations, where intercellular coupling plays an important role.
[ { "created": "Sun, 22 May 2011 13:13:18 GMT", "version": "v1" } ]
2011-09-21
[ [ "Garcia-Ojalvo", "Jordi", "" ] ]
Cellular behavior is governed by gene regulatory processes that are intrinsically dynamic and nonlinear, and are subject to non-negligible amounts of random fluctuations. Such conditions are ubiquitous in physical systems, where they have been studied for decades using the tools of statistical and nonlinear physics. The goal of this review is to show how approaches traditionally used in physics can help in reaching a systems-level understanding of living cells. To that end, we present an overview of the dynamical phenomena exhibited by genetic circuits and their functional significance. We also describe the theoretical and experimental approaches that are being used to unravel the relationship between circuit structure and function in dynamical cellular processes under the influence of noise, both at the single-cell level and in cellular populations, where intercellular coupling plays an important role.
1302.2041
Sim-Hui Tee
Sim-Hui Tee
Pattern Analysis of Tandem Repeats in Nlrp1
null
null
null
null
q-bio.GN
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Pattern analysis of tandem repeats in gene is an indispensable computational approach to the understanding of the gene expression and pathogenesis of diseases. This research applied a computational motif model and database techniques to study the distribution of tandem repeats in Nlrp1 gene, which is a critical gene to detect the invading pathogens in the immunologic mechanisms. The frequency of tandem repeats in Nlrp1 gene was studied for mono-, di-, tri-, and tetranucleotides. Mutations of Nlrp1 gene were analyzed to identify the insertion,deletion, and substitution of nucleotides. The results of this research provide a basis for future work in computational drug design and biomedical engineering in tackling diseases associated with immune system.
[ { "created": "Fri, 8 Feb 2013 14:17:50 GMT", "version": "v1" } ]
2013-02-11
[ [ "Tee", "Sim-Hui", "" ] ]
Pattern analysis of tandem repeats in gene is an indispensable computational approach to the understanding of the gene expression and pathogenesis of diseases. This research applied a computational motif model and database techniques to study the distribution of tandem repeats in Nlrp1 gene, which is a critical gene to detect the invading pathogens in the immunologic mechanisms. The frequency of tandem repeats in Nlrp1 gene was studied for mono-, di-, tri-, and tetranucleotides. Mutations of Nlrp1 gene were analyzed to identify the insertion,deletion, and substitution of nucleotides. The results of this research provide a basis for future work in computational drug design and biomedical engineering in tackling diseases associated with immune system.
q-bio/0612015
Jerome Vanclay
Jerome K Vanclay
Effects of Selection Logging on Rainforest Productivity
20 pages, 9 tables, 3 figures
Australian Forestry 53:200-214 (1990)
null
null
q-bio.QM
null
An analysis of data from 212 permanent sample plots provided no evidence of any decline in rainforest productivity after three cycles of selection logging in the tropical rainforests of north Queensland. Relative productivity was determined as the difference between observed diameter increments and increments predicted from a diameter increment function which incorporated tree size, stand density and site quality. Analyses of variance and regression analyses revealed no significant decline in productivity after repeated harvesting. There is evidence to support the assertion that if any permanent productivity decline exists, it does not exceed six per cent per harvest.
[ { "created": "Fri, 8 Dec 2006 10:47:18 GMT", "version": "v1" } ]
2007-12-12
[ [ "Vanclay", "Jerome K", "" ] ]
An analysis of data from 212 permanent sample plots provided no evidence of any decline in rainforest productivity after three cycles of selection logging in the tropical rainforests of north Queensland. Relative productivity was determined as the difference between observed diameter increments and increments predicted from a diameter increment function which incorporated tree size, stand density and site quality. Analyses of variance and regression analyses revealed no significant decline in productivity after repeated harvesting. There is evidence to support the assertion that if any permanent productivity decline exists, it does not exceed six per cent per harvest.
2406.01718
Alexandru Hening
Alexandru Hening, Dang H. Nguyen, Tran Ta and Sergiu C. Ungureanu
Long-term behavior of stochastic SIQRS epidemic models
22 pages, 6 figures
null
null
null
q-bio.PE math.PR
http://creativecommons.org/licenses/by/4.0/
In this paper we analyze and classify the dynamics of SIQRS epidemiological models with susceptible, infected, quarantined, and recovered classes, where the recovered individuals can become reinfected. We are able to treat general incidence functional responses. Our models are more realistic than what has been studied in the literature since they include two important types of random fluctuations. The first type is due to small fluctuations of the various model parameters and leads to white noise terms. The second type of noise is due to significant environment regime shifts in the that can happen at random. The environment switches randomly between a finite number of environmental states, each with a possibly different disease dynamic. We prove that the long-term fate of the disease is fully determined by a real-valued threshold $\lambda$. When $\lambda < 0$ the disease goes extinct asymptotically at an exponential rate. On the other hand, if $\lambda > 0$ the disease will persist indefinitely. We end our analysis by looking at some important examples where $\lambda$ can be computed explicitly, and by showcasing some simulation results that shed light on real-world situations.
[ { "created": "Mon, 3 Jun 2024 18:26:11 GMT", "version": "v1" } ]
2024-06-05
[ [ "Hening", "Alexandru", "" ], [ "Nguyen", "Dang H.", "" ], [ "Ta", "Tran", "" ], [ "Ungureanu", "Sergiu C.", "" ] ]
In this paper we analyze and classify the dynamics of SIQRS epidemiological models with susceptible, infected, quarantined, and recovered classes, where the recovered individuals can become reinfected. We are able to treat general incidence functional responses. Our models are more realistic than what has been studied in the literature since they include two important types of random fluctuations. The first type is due to small fluctuations of the various model parameters and leads to white noise terms. The second type of noise is due to significant environment regime shifts in the that can happen at random. The environment switches randomly between a finite number of environmental states, each with a possibly different disease dynamic. We prove that the long-term fate of the disease is fully determined by a real-valued threshold $\lambda$. When $\lambda < 0$ the disease goes extinct asymptotically at an exponential rate. On the other hand, if $\lambda > 0$ the disease will persist indefinitely. We end our analysis by looking at some important examples where $\lambda$ can be computed explicitly, and by showcasing some simulation results that shed light on real-world situations.
1106.3293
Fernando Antonio
F. J. Antonio, R. S. Mendes, and S. M. Thomaz
Identifying and modeling patterns of tetrapod vertebrate mortality rates in the Gulf of Mexico oil spill
4 pages, 1 figure
Aquatic Toxicology Volume 105, Issues 1-2, September 2011, Pages 177-179
10.1016/j.aquatox.2011.05.022
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The accidental oil spill in the Gulf of Mexico in 2010 has caused perceptible damage to marine and freshwater ecosystems. The large quantity of oil leaking at a constant rate and the long duration of the event caused an exponentially increasing mortality of vertebrates. Using data provided by NOAA and USFWS, we assessed the effects of this event on birds, sea turtles, and mammals. Mortality rates (measured as the number of carcasses recorded per day) were exponential for all three groups. Birds were the most affected group, as indicated by the steepest increase of mortality rates over time. For sea turtles and mammals, an exponential increase in mortality was observed after an initial delay. These exponential behaviors are consistent with a unified scenario for the mortality rate for tetrapod vertebrates. However, at least for mammals, pre-spill data seem to indicate that the growth in the mortality rate is not entirely a consequence of the spill.
[ { "created": "Thu, 16 Jun 2011 18:02:00 GMT", "version": "v1" } ]
2011-07-19
[ [ "Antonio", "F. J.", "" ], [ "Mendes", "R. S.", "" ], [ "Thomaz", "S. M.", "" ] ]
The accidental oil spill in the Gulf of Mexico in 2010 has caused perceptible damage to marine and freshwater ecosystems. The large quantity of oil leaking at a constant rate and the long duration of the event caused an exponentially increasing mortality of vertebrates. Using data provided by NOAA and USFWS, we assessed the effects of this event on birds, sea turtles, and mammals. Mortality rates (measured as the number of carcasses recorded per day) were exponential for all three groups. Birds were the most affected group, as indicated by the steepest increase of mortality rates over time. For sea turtles and mammals, an exponential increase in mortality was observed after an initial delay. These exponential behaviors are consistent with a unified scenario for the mortality rate for tetrapod vertebrates. However, at least for mammals, pre-spill data seem to indicate that the growth in the mortality rate is not entirely a consequence of the spill.
2102.03687
Hue Sun Chan
Jonas Wess\'en, Tanmoy Pal, Suman Das, Yi-Hsuan Lin, and Hue Sun Chan
A Simple Explicit-Solvent Model of Polyampholyte Phase Behaviors and its Ramifications for Dielectric Effects in Biomolecular Condensates
54 pages, 14 figures, 1 table, and 132 references. Accepted for publication in the Journal of Physical Chemistry B ("Liquid-Liquid Phase Separation" Special Issue)
J. Phys. Chem. B 125, 4337-4358 (2021)
10.1021/acs.jpcb.1c00954
null
q-bio.BM
http://creativecommons.org/licenses/by/4.0/
Biomolecular condensates such as membraneless organelles, underpinned by liquid-liquid phase separation (LLPS), are important for physiological function, with electrostatics -- among other interaction types -- being a prominent force in their assembly. Charge interactions of intrinsically disordered proteins (IDPs) and other biomolecules are sensitive to the aqueous dielectric environment. Because the relative permittivity of protein is significantly lower than that of water, the interior of an IDP condensate is a relatively low-dielectric regime, which, aside from its possible functional effects on client molecules, should facilitate stronger electrostatic interactions among the scaffold IDPs. To gain insight into this LLPS-induced dielectric heterogeneity, addressing in particular whether a low-dielectric condensed phase entails more favorable LLPS than that posited by assuming IDP electrostatic interactions are uniformly modulated by the higher dielectric constant of the pure solvent, we consider a simplified multiple-chain model of polyampholytes immersed in explicit solvents that are either polarizable or possess a permanent dipole. Notably, simulated phase behaviors of these systems exhibit only minor to moderate differences from those obtained using implicit-solvent models with a uniform relative permittivity equals to that of pure solvent. Buttressed by theoretical treatments developed here using random phase approximation and polymer field-theoretic simulations, these observations indicate a partial compensation of effects between favorable solvent-mediated interactions among the polyampholytes in the condensed phase and favorable polyampholyte-solvent interactions in the dilute phase, often netting only a minor enhancement of overall LLPS propensity from the very dielectric heterogeneity that arises from the LLPS itself. Further ramifications of this principle are discussed.
[ { "created": "Sat, 6 Feb 2021 23:52:36 GMT", "version": "v1" }, { "created": "Wed, 7 Apr 2021 06:08:30 GMT", "version": "v2" } ]
2021-05-26
[ [ "Wessén", "Jonas", "" ], [ "Pal", "Tanmoy", "" ], [ "Das", "Suman", "" ], [ "Lin", "Yi-Hsuan", "" ], [ "Chan", "Hue Sun", "" ] ]
Biomolecular condensates such as membraneless organelles, underpinned by liquid-liquid phase separation (LLPS), are important for physiological function, with electrostatics -- among other interaction types -- being a prominent force in their assembly. Charge interactions of intrinsically disordered proteins (IDPs) and other biomolecules are sensitive to the aqueous dielectric environment. Because the relative permittivity of protein is significantly lower than that of water, the interior of an IDP condensate is a relatively low-dielectric regime, which, aside from its possible functional effects on client molecules, should facilitate stronger electrostatic interactions among the scaffold IDPs. To gain insight into this LLPS-induced dielectric heterogeneity, addressing in particular whether a low-dielectric condensed phase entails more favorable LLPS than that posited by assuming IDP electrostatic interactions are uniformly modulated by the higher dielectric constant of the pure solvent, we consider a simplified multiple-chain model of polyampholytes immersed in explicit solvents that are either polarizable or possess a permanent dipole. Notably, simulated phase behaviors of these systems exhibit only minor to moderate differences from those obtained using implicit-solvent models with a uniform relative permittivity equals to that of pure solvent. Buttressed by theoretical treatments developed here using random phase approximation and polymer field-theoretic simulations, these observations indicate a partial compensation of effects between favorable solvent-mediated interactions among the polyampholytes in the condensed phase and favorable polyampholyte-solvent interactions in the dilute phase, often netting only a minor enhancement of overall LLPS propensity from the very dielectric heterogeneity that arises from the LLPS itself. Further ramifications of this principle are discussed.
2202.11510
D\'ebora Princepe
D\'ebora Princepe, Simone Czarnobai, Thiago M. Pradella, Rodrigo A. Caetano, Flavia M. D. Marquitti, Marcus A. M. de Aguiar, Sabrina B. L. Araujo
Diversity patterns and speciation processes in a two-island system with continuous migration
null
Evolution, 2022
10.1111/evo.14603
null
q-bio.PE
http://creativecommons.org/licenses/by/4.0/
Geographic isolation is a central mechanism of speciation, but perfect isolation of populations is rare. Although speciation can be hindered if gene flow is large, intermediate levels of migration can enhance speciation by introducing genetic novelty in the semi-isolated populations or founding small communities of migrants. Here we consider a two island neutral model of speciation with continuous migration and study diversity patterns as a function of the migration probability, population size, and number of genes involved in reproductive isolation (dubbed as genome size). For small genomes, low levels of migration induce speciation on the islands that otherwise would not occur. Diversity, however, drops sharply to a single species inhabiting both islands as the migration probability increases. For large genomes, sympatric speciation occurs even when the islands are strictly isolated. Then species richness per island increases with the probability of migration, but the total number of species decreases as they become cosmopolitan. For each genome size, there is an optimal migration intensity for each population size that maximizes the number of species. We discuss the observed modes of speciation induced by migration and how they increase species richness in the insular system while promoting asymmetry between the islands and hindering endemism.
[ { "created": "Wed, 23 Feb 2022 13:46:06 GMT", "version": "v1" }, { "created": "Tue, 7 Jun 2022 14:51:39 GMT", "version": "v2" } ]
2022-10-14
[ [ "Princepe", "Débora", "" ], [ "Czarnobai", "Simone", "" ], [ "Pradella", "Thiago M.", "" ], [ "Caetano", "Rodrigo A.", "" ], [ "Marquitti", "Flavia M. D.", "" ], [ "de Aguiar", "Marcus A. M.", "" ], [ "Araujo", ...
Geographic isolation is a central mechanism of speciation, but perfect isolation of populations is rare. Although speciation can be hindered if gene flow is large, intermediate levels of migration can enhance speciation by introducing genetic novelty in the semi-isolated populations or founding small communities of migrants. Here we consider a two island neutral model of speciation with continuous migration and study diversity patterns as a function of the migration probability, population size, and number of genes involved in reproductive isolation (dubbed as genome size). For small genomes, low levels of migration induce speciation on the islands that otherwise would not occur. Diversity, however, drops sharply to a single species inhabiting both islands as the migration probability increases. For large genomes, sympatric speciation occurs even when the islands are strictly isolated. Then species richness per island increases with the probability of migration, but the total number of species decreases as they become cosmopolitan. For each genome size, there is an optimal migration intensity for each population size that maximizes the number of species. We discuss the observed modes of speciation induced by migration and how they increase species richness in the insular system while promoting asymmetry between the islands and hindering endemism.
2107.02430
Indrajit Ghosh
Indrajit Ghosh, Sk Shahid Nadim, Soumyendu Raha, Debnath Pal
Metapopulation dynamics of a respiratory disease with infection during travel
null
null
null
null
q-bio.PE
http://creativecommons.org/licenses/by/4.0/
We formulate a compartmental model for the propagation of a respiratory disease in a patchy environment. The patches are connected through the mobility of individuals, and we assume that disease transmission and recovery are possible during travel. Moreover, the migration terms are assumed to depend on the distance between patches and the perceived severity of the disease. The positivity and boundedness of the model solutions are discussed. We analytically show the existence and global asymptotic stability of the disease-free equilibrium. We study three different network topologies numerically and find that underlying network structure is crucial for disease transmission. Further numerical simulations reveal that infection during travel has the potential to change the stability of disease-free equilibrium from stable to unstable. The coupling strength and transmission coefficients are also very crucial in disease propagation. Different exit screening scenarios indicate that the patch with the highest prevalence may have adverse effects but other patches will be benefited from exit screening. Furthermore, while studying the multi-strain dynamics, it is observed that two co-circulating strains will not persist simultaneously in the community but only one of the strains may persist in the long run. Transmission coefficients corresponding to the second strain are very crucial and show threshold like behavior with respect to the equilibrium density of the second strain.
[ { "created": "Tue, 6 Jul 2021 07:10:01 GMT", "version": "v1" }, { "created": "Fri, 8 Oct 2021 14:13:50 GMT", "version": "v2" } ]
2021-10-11
[ [ "Ghosh", "Indrajit", "" ], [ "Nadim", "Sk Shahid", "" ], [ "Raha", "Soumyendu", "" ], [ "Pal", "Debnath", "" ] ]
We formulate a compartmental model for the propagation of a respiratory disease in a patchy environment. The patches are connected through the mobility of individuals, and we assume that disease transmission and recovery are possible during travel. Moreover, the migration terms are assumed to depend on the distance between patches and the perceived severity of the disease. The positivity and boundedness of the model solutions are discussed. We analytically show the existence and global asymptotic stability of the disease-free equilibrium. We study three different network topologies numerically and find that underlying network structure is crucial for disease transmission. Further numerical simulations reveal that infection during travel has the potential to change the stability of disease-free equilibrium from stable to unstable. The coupling strength and transmission coefficients are also very crucial in disease propagation. Different exit screening scenarios indicate that the patch with the highest prevalence may have adverse effects but other patches will be benefited from exit screening. Furthermore, while studying the multi-strain dynamics, it is observed that two co-circulating strains will not persist simultaneously in the community but only one of the strains may persist in the long run. Transmission coefficients corresponding to the second strain are very crucial and show threshold like behavior with respect to the equilibrium density of the second strain.
1905.04165
Roland Wittler
Roland Wittler
Alignment- and reference-free phylogenomics with colored de-Bruijn graphs
null
null
null
null
q-bio.PE cs.DS
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We present a new whole-genome based approach to infer large-scale phylogenies that is alignment- and reference-free. In contrast to other methods, it does not rely on pairwise comparisons to determine distances to infer edges in a tree. Instead, a colored de-Bruijn graph is constructed, and information on common subsequences is extracted to infer phylogenetic splits. Application to different datasets confirms robustness of the approach. A comparison to other state-of-the-art whole-genome based methods indicates comparable or higher accuracy and efficiency.
[ { "created": "Fri, 10 May 2019 13:33:06 GMT", "version": "v1" }, { "created": "Wed, 15 May 2019 08:00:21 GMT", "version": "v2" } ]
2019-05-16
[ [ "Wittler", "Roland", "" ] ]
We present a new whole-genome based approach to infer large-scale phylogenies that is alignment- and reference-free. In contrast to other methods, it does not rely on pairwise comparisons to determine distances to infer edges in a tree. Instead, a colored de-Bruijn graph is constructed, and information on common subsequences is extracted to infer phylogenetic splits. Application to different datasets confirms robustness of the approach. A comparison to other state-of-the-art whole-genome based methods indicates comparable or higher accuracy and efficiency.
1702.07368
Benjamin Lansdell
Benjamin Lansdell, Ivana Milovanovic, Cooper Mellema, Eberhard E Fetz, Adrienne L Fairhall, Chet T Moritz
Reconfiguring motor circuits for a joint manual and BCI task
17 pages, 5 figures, 2 supplementary figures. Minor revisions
null
null
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Designing brain-computer interfaces (BCIs) that can be used in conjunction with ongoing motor behavior requires an understanding of how neural activity co-opted for brain control interacts with existing neural circuits. For example, BCIs may be used to regain lost motor function after stroke. This requires that neural activity controlling unaffected limbs is dissociated from activity controlling the BCI. In this study we investigated how primary motor cortex accomplishes simultaneous BCI control and motor control in a task that explicitly required both activities to be driven from the same brain region (i.e. a dual-control task). Single-unit activity was recorded from intracortical, multi-electrode arrays while a non-human primate performed this dual-control task. Compared to activity observed during naturalistic motor control, we found that both units used to drive the BCI directly (control units) and units that did not directly control the BCI (non-control units) significantly changed their tuning to wrist torque. Using a measure of effective connectivity, we observed that control units decrease their connectivity. Through an analysis of variance we found that the intrinsic variability of the control units has a significant effect on task proficiency. When this variance is accounted for, motor cortical activity is flexible enough to perform novel BCI tasks that require active decoupling of natural associations to wrist motion. This study provides insight into the neural activity that enables a dual-control brain-computer interface.
[ { "created": "Thu, 23 Feb 2017 19:13:00 GMT", "version": "v1" }, { "created": "Thu, 3 Jan 2019 15:09:07 GMT", "version": "v2" }, { "created": "Thu, 12 Sep 2019 15:34:54 GMT", "version": "v3" } ]
2019-09-13
[ [ "Lansdell", "Benjamin", "" ], [ "Milovanovic", "Ivana", "" ], [ "Mellema", "Cooper", "" ], [ "Fetz", "Eberhard E", "" ], [ "Fairhall", "Adrienne L", "" ], [ "Moritz", "Chet T", "" ] ]
Designing brain-computer interfaces (BCIs) that can be used in conjunction with ongoing motor behavior requires an understanding of how neural activity co-opted for brain control interacts with existing neural circuits. For example, BCIs may be used to regain lost motor function after stroke. This requires that neural activity controlling unaffected limbs is dissociated from activity controlling the BCI. In this study we investigated how primary motor cortex accomplishes simultaneous BCI control and motor control in a task that explicitly required both activities to be driven from the same brain region (i.e. a dual-control task). Single-unit activity was recorded from intracortical, multi-electrode arrays while a non-human primate performed this dual-control task. Compared to activity observed during naturalistic motor control, we found that both units used to drive the BCI directly (control units) and units that did not directly control the BCI (non-control units) significantly changed their tuning to wrist torque. Using a measure of effective connectivity, we observed that control units decrease their connectivity. Through an analysis of variance we found that the intrinsic variability of the control units has a significant effect on task proficiency. When this variance is accounted for, motor cortical activity is flexible enough to perform novel BCI tasks that require active decoupling of natural associations to wrist motion. This study provides insight into the neural activity that enables a dual-control brain-computer interface.
1909.08158
Takahiro Homma
Takahiro Homma
Generation mechanism of cell assembly to store information about hand recognition
null
Heliyon Volume 6, Issue 11, November 2020, e05347
10.1016/j.heliyon.2020.e05347
null
q-bio.NC cs.NE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
A specific memory is stored in a cell assembly that is activated during fear learning in mice; however, research regarding cell assemblies associated with procedural and habit learning processes is lacking. In modeling studies, simulations of the learning process for hand regard, which is a type of procedural learning, resulted in the formation of cell assemblies. However, the mechanisms through which the cell assemblies form and the information stored in these cell assemblies remain unknown. In this paper, the relationship between hand movements and weight changes during the simulated learning process for hand regard was used to elucidate the mechanism through which inhibitory weights are generated, which plays an important role in the formation of cell assemblies. During the early training phase, trial and error attempts to bring the hand into the field of view caused the generation of inhibitory weights, and the cell assemblies self-organized from these inhibitory weights. The information stored in the cell assemblies was estimated by examining the contributions of the cell assemblies outputs to hand movements. During sustained hand regard, the outputs from these cell assemblies moved the hand into the field of view, using hand-related inputs almost exclusively. Therefore, infants are likely able to select the inputs associated with their hand (that is, distinguish between their hand and others), based on the information stored in the cell assembly, and move their hands into the field of view during sustained hand regard.
[ { "created": "Wed, 18 Sep 2019 01:19:55 GMT", "version": "v1" }, { "created": "Thu, 16 Apr 2020 08:07:12 GMT", "version": "v2" } ]
2020-11-09
[ [ "Homma", "Takahiro", "" ] ]
A specific memory is stored in a cell assembly that is activated during fear learning in mice; however, research regarding cell assemblies associated with procedural and habit learning processes is lacking. In modeling studies, simulations of the learning process for hand regard, which is a type of procedural learning, resulted in the formation of cell assemblies. However, the mechanisms through which the cell assemblies form and the information stored in these cell assemblies remain unknown. In this paper, the relationship between hand movements and weight changes during the simulated learning process for hand regard was used to elucidate the mechanism through which inhibitory weights are generated, which plays an important role in the formation of cell assemblies. During the early training phase, trial and error attempts to bring the hand into the field of view caused the generation of inhibitory weights, and the cell assemblies self-organized from these inhibitory weights. The information stored in the cell assemblies was estimated by examining the contributions of the cell assemblies outputs to hand movements. During sustained hand regard, the outputs from these cell assemblies moved the hand into the field of view, using hand-related inputs almost exclusively. Therefore, infants are likely able to select the inputs associated with their hand (that is, distinguish between their hand and others), based on the information stored in the cell assembly, and move their hands into the field of view during sustained hand regard.
1811.12537
Xin Li
Xin Li, and D. Thirumalai
Share, but unequally: A plausible mechanism for emergence and maintenance of intratumor heterogeneity
27 pages, 7 figures
null
null
null
q-bio.PE cond-mat.soft physics.bio-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Intratumor heterogeneity (ITH), referring to coexistence of different cell subpopulations in a single tumor, has been a major puzzle in cancer research for almost half a century. The lack of understanding of the underlying mechanism of ITH hinders progress in developing effective therapies for cancers. Based on the findings in a recent quantitative experiment on pancreatic cancer, we developed a general evolutionary model for one type of cancer, accounting for interactions between different cell populations through paracrine or juxtacrine factors. We show that the emergence of a stable heterogeneous state in a tumor requires an unequal allocation of paracrine growth factors ("public goods") between cells that produce them and those that merely consume them. Our model provides a quantitative explanation of recent {\it in vitro} experimental studies in pancreatic cancer in which insulin growth factor (IGF-II) plays the role of public goods. The calculated phase diagrams as a function of exogenous resources and fraction of growth factor producing cells show ITH persists only in a narrow range of concentration of exogenous IGF-II. Remarkably, maintenance of ITH requires cooperation among tumor cell subpopulations in harsh conditions, specified by lack of exogenous IGF-II, whereas surplus exogenous IGF-II elicits competition. Our theory also quantitatively accounts for measured {\it in vivo} tumor growth in glioblastoma multiforme (GBM). The predictions for GBM tumor growth as a function of the fraction of tumor cells are amenable to experimental tests. The mechanism for ITH also provides hints for devising efficacious therapies.
[ { "created": "Thu, 29 Nov 2018 23:39:49 GMT", "version": "v1" } ]
2019-02-22
[ [ "Li", "Xin", "" ], [ "Thirumalai", "D.", "" ] ]
Intratumor heterogeneity (ITH), referring to coexistence of different cell subpopulations in a single tumor, has been a major puzzle in cancer research for almost half a century. The lack of understanding of the underlying mechanism of ITH hinders progress in developing effective therapies for cancers. Based on the findings in a recent quantitative experiment on pancreatic cancer, we developed a general evolutionary model for one type of cancer, accounting for interactions between different cell populations through paracrine or juxtacrine factors. We show that the emergence of a stable heterogeneous state in a tumor requires an unequal allocation of paracrine growth factors ("public goods") between cells that produce them and those that merely consume them. Our model provides a quantitative explanation of recent {\it in vitro} experimental studies in pancreatic cancer in which insulin growth factor (IGF-II) plays the role of public goods. The calculated phase diagrams as a function of exogenous resources and fraction of growth factor producing cells show ITH persists only in a narrow range of concentration of exogenous IGF-II. Remarkably, maintenance of ITH requires cooperation among tumor cell subpopulations in harsh conditions, specified by lack of exogenous IGF-II, whereas surplus exogenous IGF-II elicits competition. Our theory also quantitatively accounts for measured {\it in vivo} tumor growth in glioblastoma multiforme (GBM). The predictions for GBM tumor growth as a function of the fraction of tumor cells are amenable to experimental tests. The mechanism for ITH also provides hints for devising efficacious therapies.
2106.10631
Leonardo Novelli
Leonardo Novelli, Adeel Razi
A mathematical perspective on edge-centric brain functional connectivity
null
Nat Commun 13, 2693 (2022)
10.1038/s41467-022-29775-7
null
q-bio.NC physics.data-an
http://creativecommons.org/licenses/by-nc-nd/4.0/
Edge time series are increasingly used in brain functional imaging to study the node functional connectivity (nFC) dynamics at the finest temporal resolution while avoiding sliding windows. Here, we lay the mathematical foundations for the edge-centric analysis of neuroimaging time series, explaining why a few high-amplitude cofluctuations drive the nFC across datasets. Our exposition also constitutes a critique of the existing edge-centric studies, showing that their main findings can be derived from the nFC under a static null hypothesis that disregards temporal correlations. Testing the analytic predictions on functional MRI data from the Human Connectome Project confirms that the nFC can explain most variation in the edge FC matrix, the edge communities, the large cofluctuations, and the corresponding spatial patterns. We encourage the use of dynamic measures in future research, which exploit the temporal structure of the edge time series and cannot be replicated by static null models.
[ { "created": "Sun, 20 Jun 2021 05:53:12 GMT", "version": "v1" }, { "created": "Thu, 14 Jul 2022 11:51:57 GMT", "version": "v2" } ]
2022-07-15
[ [ "Novelli", "Leonardo", "" ], [ "Razi", "Adeel", "" ] ]
Edge time series are increasingly used in brain functional imaging to study the node functional connectivity (nFC) dynamics at the finest temporal resolution while avoiding sliding windows. Here, we lay the mathematical foundations for the edge-centric analysis of neuroimaging time series, explaining why a few high-amplitude cofluctuations drive the nFC across datasets. Our exposition also constitutes a critique of the existing edge-centric studies, showing that their main findings can be derived from the nFC under a static null hypothesis that disregards temporal correlations. Testing the analytic predictions on functional MRI data from the Human Connectome Project confirms that the nFC can explain most variation in the edge FC matrix, the edge communities, the large cofluctuations, and the corresponding spatial patterns. We encourage the use of dynamic measures in future research, which exploit the temporal structure of the edge time series and cannot be replicated by static null models.
q-bio/0701018
Eduardo D. Sontag
David Angeli and Eduardo D. Sontag
Oscillations in I/O monotone systems under negative feedback
Related work can be retrieved from second author's website
null
null
null
q-bio.QM q-bio.MN
null
Oscillatory behavior is a key property of many biological systems. The Small-Gain Theorem (SGT) for input/output monotone systems provides a sufficient condition for global asymptotic stability of an equilibrium and hence its violation is a necessary condition for the existence of periodic solutions. One advantage of the use of the monotone SGT technique is its robustness with respect to all perturbations that preserve monotonicity and stability properties of a very low-dimensional (in many interesting examples, just one-dimensional) model reduction. This robustness makes the technique useful in the analysis of molecular biological models in which there is large uncertainty regarding the values of kinetic and other parameters. However, verifying the conditions needed in order to apply the SGT is not always easy. This paper provides an approach to the verification of the needed properties, and illustrates the approach through an application to a classical model of circadian oscillations, as a nontrivial ``case study,'' and also provides a theorem in the converse direction of predicting oscillations when the SGT conditions fail.
[ { "created": "Sun, 14 Jan 2007 14:43:29 GMT", "version": "v1" } ]
2007-05-23
[ [ "Angeli", "David", "" ], [ "Sontag", "Eduardo D.", "" ] ]
Oscillatory behavior is a key property of many biological systems. The Small-Gain Theorem (SGT) for input/output monotone systems provides a sufficient condition for global asymptotic stability of an equilibrium and hence its violation is a necessary condition for the existence of periodic solutions. One advantage of the use of the monotone SGT technique is its robustness with respect to all perturbations that preserve monotonicity and stability properties of a very low-dimensional (in many interesting examples, just one-dimensional) model reduction. This robustness makes the technique useful in the analysis of molecular biological models in which there is large uncertainty regarding the values of kinetic and other parameters. However, verifying the conditions needed in order to apply the SGT is not always easy. This paper provides an approach to the verification of the needed properties, and illustrates the approach through an application to a classical model of circadian oscillations, as a nontrivial ``case study,'' and also provides a theorem in the converse direction of predicting oscillations when the SGT conditions fail.
0906.5535
Thomas Butler
Thomas Butler and Nigel Goldenfeld
Robust ecological pattern formation induced by demographic noise
Revised version. Supporting simulation at: http://guava.physics.uiuc.edu/~tom/Netlogo/
null
10.1103/PhysRevE.80.030902
null
q-bio.PE q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We demonstrate that demographic noise can induce persistent spatial pattern formation and temporal oscillations in the Levin-Segel predator-prey model for plankton-herbivore population dynamics. Although the model exhibits a Turing instability in mean field theory, demographic noise greatly enlarges the region of parameter space where pattern formation occurs. To distinguish between patterns generated by fluctuations and those present at the mean field level in real ecosystems, we calculate the power spectrum in the noise-driven case and predict the presence of fat tails not present in the mean field case. These results may account for the prevalence of large-scale ecological patterns, beyond that expected from traditional non-stochastic approaches.
[ { "created": "Tue, 30 Jun 2009 14:12:21 GMT", "version": "v1" }, { "created": "Tue, 30 Jun 2009 20:54:34 GMT", "version": "v2" }, { "created": "Wed, 29 Jul 2009 00:31:02 GMT", "version": "v3" } ]
2015-05-13
[ [ "Butler", "Thomas", "" ], [ "Goldenfeld", "Nigel", "" ] ]
We demonstrate that demographic noise can induce persistent spatial pattern formation and temporal oscillations in the Levin-Segel predator-prey model for plankton-herbivore population dynamics. Although the model exhibits a Turing instability in mean field theory, demographic noise greatly enlarges the region of parameter space where pattern formation occurs. To distinguish between patterns generated by fluctuations and those present at the mean field level in real ecosystems, we calculate the power spectrum in the noise-driven case and predict the presence of fat tails not present in the mean field case. These results may account for the prevalence of large-scale ecological patterns, beyond that expected from traditional non-stochastic approaches.
2012.09325
Jacob Moran
Jacob Moran, Devon Finlay, and Mikhail Tikhonov
Improve it or lose it: evolvability costs of competition for expression
6 pages, 4 figures + Supplementary Material
Phys. Rev. E 103, 062402 (2021)
10.1103/PhysRevE.103.062402
null
q-bio.PE
http://creativecommons.org/licenses/by/4.0/
Expression level is known to be a strong determinant of a protein's rate of evolution. But the converse can also be true: evolutionary dynamics can affect expression levels of proteins. Having implications in both directions fosters the possibility of a feedback loop, where higher expressed systems are more likely to improve and be expressed even higher, while those that are expressed less are eventually lost to drift. Using a minimal model to study this in the context of a changing environment, we demonstrate that one unexpected consequence of such a feedback loop is that a slow switch to a new environment can allow genotypes to reach higher fitness sooner than a direct exposure to it.
[ { "created": "Wed, 16 Dec 2020 23:52:21 GMT", "version": "v1" } ]
2021-06-09
[ [ "Moran", "Jacob", "" ], [ "Finlay", "Devon", "" ], [ "Tikhonov", "Mikhail", "" ] ]
Expression level is known to be a strong determinant of a protein's rate of evolution. But the converse can also be true: evolutionary dynamics can affect expression levels of proteins. Having implications in both directions fosters the possibility of a feedback loop, where higher expressed systems are more likely to improve and be expressed even higher, while those that are expressed less are eventually lost to drift. Using a minimal model to study this in the context of a changing environment, we demonstrate that one unexpected consequence of such a feedback loop is that a slow switch to a new environment can allow genotypes to reach higher fitness sooner than a direct exposure to it.
1411.3801
Tom Chou
Tom Chou, Yu Wang
Fixation times in differentiation and evolution in the presence of bottlenecks, deserts, and oases
16 pages, 9 figures
null
null
null
q-bio.PE cond-mat.stat-mech q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Cellular differentiation and evolution are stochastic processes that can involve multiple types (or states) of particles moving on a complex, high-dimensional state-space or "fitness" landscape. Cells of each specific type can thus be quantified by their population at a corresponding node within a network of states. Their dynamics across the state-space network involve genotypic or phenotypic transitions that can occur upon cell division, such as during symmetric or asymmetric cell differentiation, or upon spontaneous mutation. Waiting times between transitions can be nonexponentially distributed and reflect e.g., the cell cycle. Here, we use a multi-type branching processes to study first passage time statistics for a single cell to appear in a specific state. We present results for a sequential evolutionary process in which $L$ successive transitions propel a population from a "wild-type" state to a given "terminally differentiated," "resistant," or "cancerous" state. Analytic and numeric results are also found for first passage times across an evolutionary chain containing a node with increased death or proliferation rate, representing a desert/bottleneck or an oasis. Processes involving cell proliferation are shown to be "nonlinear" (even though mean-field equations for the expected particle numbers are linear) resulting in first passage time statistics that depend on the position of the bottleneck or oasis. Our results highlight the sensitivity of stochastic measures to cell division fate and quantify the limitations of using certain approximations and assumptions (such as fixed-population and mean-field assumptions) in evaluating fixation times.
[ { "created": "Fri, 14 Nov 2014 05:43:33 GMT", "version": "v1" } ]
2014-11-17
[ [ "Chou", "Tom", "" ], [ "Wang", "Yu", "" ] ]
Cellular differentiation and evolution are stochastic processes that can involve multiple types (or states) of particles moving on a complex, high-dimensional state-space or "fitness" landscape. Cells of each specific type can thus be quantified by their population at a corresponding node within a network of states. Their dynamics across the state-space network involve genotypic or phenotypic transitions that can occur upon cell division, such as during symmetric or asymmetric cell differentiation, or upon spontaneous mutation. Waiting times between transitions can be nonexponentially distributed and reflect e.g., the cell cycle. Here, we use a multi-type branching processes to study first passage time statistics for a single cell to appear in a specific state. We present results for a sequential evolutionary process in which $L$ successive transitions propel a population from a "wild-type" state to a given "terminally differentiated," "resistant," or "cancerous" state. Analytic and numeric results are also found for first passage times across an evolutionary chain containing a node with increased death or proliferation rate, representing a desert/bottleneck or an oasis. Processes involving cell proliferation are shown to be "nonlinear" (even though mean-field equations for the expected particle numbers are linear) resulting in first passage time statistics that depend on the position of the bottleneck or oasis. Our results highlight the sensitivity of stochastic measures to cell division fate and quantify the limitations of using certain approximations and assumptions (such as fixed-population and mean-field assumptions) in evaluating fixation times.
2004.03575
Jos\'e Carcione M
Jose' M. Carcione, Juan E. Santos, Claudio Bagaini, Jing Ba
A simulation of a COVID-19 epidemic based on a deterministic SEIR model
null
null
null
null
q-bio.PE physics.soc-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
An epidemic disease caused by a new coronavirus has spread in Northern Italy with a strong contagion rate. We implement an SEIR model to compute the infected population and number of casualties of this epidemic. The example may ideally regard the situation in the Italian Region of Lombardy, where the epidemic started on February 25. We calibrate the model with the number of dead individuals to date (May 5, 2020) and constraint the parameters on the basis of values reported in the literature. The peak occurs at day 37 (March 31) approximately, when there is a rapid decrease, with a reproduction ratio R0 = 3 initially, 1.36 at day 22 and 0.8 after day 35, indicating different degrees of lockdown. The predicted death toll is approximately 15600 casualties, with 2.7 million infected individuals at the end of the epidemic. The incubation period providing a better fit of the dead individuals is 4.25 days and the infection period is 4 days, with a fatality rate of 0.00144/day [values based on the reported (official) number of casualties]. The infection fatality rate (IFR) is 0.57 %, and 2.36 % if twice the reported number of casualties is assumed. However, these rates depend on the initially exposed individuals. If approximately nine times more individuals are exposed, there are three times more infected people at the end of the epidemic and IFR = 0.47 %. If we relax these constraints and use a wider range of lower and upper bounds for the incubation and infection periods, we observe that a higher incubation period (13 versus 4.25 days) gives the same IFR (0.6 versus 0.57 %), but nine times more exposed individuals in the first case. Therefore, a precise determination of the fatality rate is subject to the knowledge of the characteristics of the epidemic.
[ { "created": "Tue, 7 Apr 2020 17:54:33 GMT", "version": "v1" }, { "created": "Sun, 10 May 2020 09:18:19 GMT", "version": "v10" }, { "created": "Wed, 8 Apr 2020 09:03:36 GMT", "version": "v2" }, { "created": "Sat, 11 Apr 2020 08:03:24 GMT", "version": "v3" }, { "cr...
2020-05-12
[ [ "Carcione", "Jose' M.", "" ], [ "Santos", "Juan E.", "" ], [ "Bagaini", "Claudio", "" ], [ "Ba", "Jing", "" ] ]
An epidemic disease caused by a new coronavirus has spread in Northern Italy with a strong contagion rate. We implement an SEIR model to compute the infected population and number of casualties of this epidemic. The example may ideally regard the situation in the Italian Region of Lombardy, where the epidemic started on February 25. We calibrate the model with the number of dead individuals to date (May 5, 2020) and constraint the parameters on the basis of values reported in the literature. The peak occurs at day 37 (March 31) approximately, when there is a rapid decrease, with a reproduction ratio R0 = 3 initially, 1.36 at day 22 and 0.8 after day 35, indicating different degrees of lockdown. The predicted death toll is approximately 15600 casualties, with 2.7 million infected individuals at the end of the epidemic. The incubation period providing a better fit of the dead individuals is 4.25 days and the infection period is 4 days, with a fatality rate of 0.00144/day [values based on the reported (official) number of casualties]. The infection fatality rate (IFR) is 0.57 %, and 2.36 % if twice the reported number of casualties is assumed. However, these rates depend on the initially exposed individuals. If approximately nine times more individuals are exposed, there are three times more infected people at the end of the epidemic and IFR = 0.47 %. If we relax these constraints and use a wider range of lower and upper bounds for the incubation and infection periods, we observe that a higher incubation period (13 versus 4.25 days) gives the same IFR (0.6 versus 0.57 %), but nine times more exposed individuals in the first case. Therefore, a precise determination of the fatality rate is subject to the knowledge of the characteristics of the epidemic.
2306.08486
Giorgio Gonnella
Serena Lam and Giorgio Gonnella
Collection of prokaryotic genome contents expectation rules from scientific literature
null
null
null
null
q-bio.GN
http://creativecommons.org/licenses/by-nc-nd/4.0/
Shaped by natural selection and other evolutionary forces, an organism's evolutionary history is reflected through its genome sequence, content of functional elements and organization. Consequently, organisms connected through phylogeny, metabolic or morphological traits, geographical proximity, or habitat features are likely to exhibit similarities in their genomes. These similarities give rise to expectations about the content of genomes within these organism groups. Such expectations are often informally expressed in scientific literature, focusing on the analysis of individual genomes or comparisons among related groups of organisms. Our objective is to develop a system for formalized expectations as rules, facilitating automated verification, and evaluation of newly sequenced genomes. In this study, we present a database comprising rules manually extracted from scientific literature. Furthermore, we explore the feasibility of automatizing the extraction and analysis process using large language models, such as GPT3.5 and GPT4. We have developed a web application, EGCWebApp, which enables users to visualize and edit the rules. Additionally, we provided a Python library and command-line tools collection, egctools, to further extend the functionality for processing and managing these rules.
[ { "created": "Wed, 14 Jun 2023 13:03:48 GMT", "version": "v1" } ]
2023-06-16
[ [ "Lam", "Serena", "" ], [ "Gonnella", "Giorgio", "" ] ]
Shaped by natural selection and other evolutionary forces, an organism's evolutionary history is reflected through its genome sequence, content of functional elements and organization. Consequently, organisms connected through phylogeny, metabolic or morphological traits, geographical proximity, or habitat features are likely to exhibit similarities in their genomes. These similarities give rise to expectations about the content of genomes within these organism groups. Such expectations are often informally expressed in scientific literature, focusing on the analysis of individual genomes or comparisons among related groups of organisms. Our objective is to develop a system for formalized expectations as rules, facilitating automated verification, and evaluation of newly sequenced genomes. In this study, we present a database comprising rules manually extracted from scientific literature. Furthermore, we explore the feasibility of automatizing the extraction and analysis process using large language models, such as GPT3.5 and GPT4. We have developed a web application, EGCWebApp, which enables users to visualize and edit the rules. Additionally, we provided a Python library and command-line tools collection, egctools, to further extend the functionality for processing and managing these rules.
2111.09138
Rachel Cavill
Nordine Aouni, Luc Linders, David Robinson, Len Vandelaer, Jessica Wiezorek, Geetesh Gupta, Rachel Cavill
Interpreting multi-variate models with setPCA
null
null
null
null
q-bio.GN cs.LG
http://creativecommons.org/licenses/by-nc-sa/4.0/
Principal Component Analysis (PCA) and other multi-variate models are often used in the analysis of "omics" data. These models contain much information which is currently neither easily accessible nor interpretable. Here we present an algorithmic method which has been developed to integrate this information with existing databases of background knowledge, stored in the form of known sets (for instance genesets or pathways). To make this accessible we have produced a Graphical User Interface (GUI) in Matlab which allows the overlay of known set information onto the loadings plot and thus improves the interpretability of the multi-variate model. For each known set the optimal convex hull, covering a subset of elements from the known set, is found through a search algorithm and displayed. In this paper we discuss two main topics; the details of the search algorithm for the optimal convex hull for this problem and the GUI interface which is freely available for download for academic use.
[ { "created": "Wed, 17 Nov 2021 14:22:19 GMT", "version": "v1" } ]
2021-11-18
[ [ "Aouni", "Nordine", "" ], [ "Linders", "Luc", "" ], [ "Robinson", "David", "" ], [ "Vandelaer", "Len", "" ], [ "Wiezorek", "Jessica", "" ], [ "Gupta", "Geetesh", "" ], [ "Cavill", "Rachel", "" ] ]
Principal Component Analysis (PCA) and other multi-variate models are often used in the analysis of "omics" data. These models contain much information which is currently neither easily accessible nor interpretable. Here we present an algorithmic method which has been developed to integrate this information with existing databases of background knowledge, stored in the form of known sets (for instance genesets or pathways). To make this accessible we have produced a Graphical User Interface (GUI) in Matlab which allows the overlay of known set information onto the loadings plot and thus improves the interpretability of the multi-variate model. For each known set the optimal convex hull, covering a subset of elements from the known set, is found through a search algorithm and displayed. In this paper we discuss two main topics; the details of the search algorithm for the optimal convex hull for this problem and the GUI interface which is freely available for download for academic use.
1711.09133
Michael Deem
Qiuhai Yue, Randi Martin, Simon Fischer-Baum, Aurora I. Ramos-Nu\~nez, Fengdan Ye, and Michael W. Deem
Brain Modularity Mediates the Relation between Task Complexity and Performance
47 pages; 4 figures
J. Cog. Neurosci. 29 (2017) 1532-1546
10.1162/jocn_a_01142
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Recent work in cognitive neuroscience has focused on analyzing the brain as a network, rather than as a collection of independent regions. Prior studies taking this approach have found that individual differences in the degree of modularity of the brain network relate to performance on cognitive tasks. However, inconsistent results concerning the direction of this relationship have been obtained, with some tasks showing better performance as modularity increases and other tasks showing worse performance. A recent theoretical model (Chen & Deem, 2015) suggests that these inconsistencies may be explained on the grounds that high-modularity networks favor performance on simple tasks whereas low-modularity networks favor performance on more complex tasks. The current study tests these predictions by relating modularity from resting-state fMRI to performance on a set of simple and complex behavioral tasks. Complex and simple tasks were defined on the basis of whether they did or did not draw on executive attention. Consistent with predictions, we found a negative correlation between individuals' modularity and their performance on a composite measure combining scores from the complex tasks but a positive correlation with performance on a composite measure combining scores from the simple tasks. These results and theory presented here provide a framework for linking measures of whole brain organization from network neuroscience to cognitive processing.
[ { "created": "Fri, 24 Nov 2017 20:50:59 GMT", "version": "v1" } ]
2017-11-28
[ [ "Yue", "Qiuhai", "" ], [ "Martin", "Randi", "" ], [ "Fischer-Baum", "Simon", "" ], [ "Ramos-Nuñez", "Aurora I.", "" ], [ "Ye", "Fengdan", "" ], [ "Deem", "Michael W.", "" ] ]
Recent work in cognitive neuroscience has focused on analyzing the brain as a network, rather than as a collection of independent regions. Prior studies taking this approach have found that individual differences in the degree of modularity of the brain network relate to performance on cognitive tasks. However, inconsistent results concerning the direction of this relationship have been obtained, with some tasks showing better performance as modularity increases and other tasks showing worse performance. A recent theoretical model (Chen & Deem, 2015) suggests that these inconsistencies may be explained on the grounds that high-modularity networks favor performance on simple tasks whereas low-modularity networks favor performance on more complex tasks. The current study tests these predictions by relating modularity from resting-state fMRI to performance on a set of simple and complex behavioral tasks. Complex and simple tasks were defined on the basis of whether they did or did not draw on executive attention. Consistent with predictions, we found a negative correlation between individuals' modularity and their performance on a composite measure combining scores from the complex tasks but a positive correlation with performance on a composite measure combining scores from the simple tasks. These results and theory presented here provide a framework for linking measures of whole brain organization from network neuroscience to cognitive processing.
2201.09960
Hirokuni Miyamoto
Hirokuni Miyamoto, Futo Asano, Koutarou Ishizawa, Wataru Suda, Hisashi Miyamoto, Naoko Tsuji, Makiko Matsuura, Arisa Tsuboi, Chitose Ishii, Teruno Nakaguma, Chie Shindo, Tamotsu Kato, Atsushi Kurotani, Hideaki Shima, Shigeharu Moriya, Masahira Hattori, Hiroaki Kodama, Hiroshi Ohno, Jun Kikuchi
Symbiotic bacterial network structure involved in carbon and nitrogen metabolism of wood-utilizing insect larvae
null
null
10.1016/J.SCITOTENV.2022.155520
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Effective biological utilization of wood biomass is necessary worldwide. Since several insect larvae can use wood biomass as a nutrient source, studies on their digestive mechanism are expected to speculate a novel rule in wood biomass processing. Here, the relationships of inhabitant bacteria involved in carbon and nitrogen metabolism in the intestine of beetle larvae, an insect model, are investigated. Bacterial analysis of larval feces showed enrichment of members of which could include candidates for plant growth promotion, nitrogen cycle modulation, and/or environmental protection. The abundances of these bacteria were not necessarily positively correlated with the abundance in the habitat, suggesting that they might be selectively enriched in the intestines of larvae. Further association analysis predicted that carbon and nitrogen metabolism in the intestine was affected by the presence of the other common bacteria, the populations of which were not remarkably altered in the habitat and feces. Based on hypotheses targeting these selected bacterial groups, structural estimation modeling analyses statistically suggested that their metabolism of carbon and nitrogen and their stable isotopes, {\delta}13C and {\delta}15N, may be associated with fecal enriched bacteria and other common bacteria. In addition, other causal inference analyses, such as causal mediation analysis, linear non-Gaussian acyclic model (LiNGAM), and BayesLiNGAM, did not necessarily affirm the existence of prominent bacteria involved in metabolism, implying its importance as the bacterial groups for metabolism rather than a remarkable bacterium. Thus, these observations highlight a multifaceted view of symbiotic bacterial groups utilizing carbon and nitrogen from wood biomass in insect larvae as a cultivator of potentially environmentally beneficial bacteria.
[ { "created": "Mon, 24 Jan 2022 21:20:58 GMT", "version": "v1" }, { "created": "Sat, 15 Oct 2022 09:29:00 GMT", "version": "v2" } ]
2022-10-18
[ [ "Miyamoto", "Hirokuni", "" ], [ "Asano", "Futo", "" ], [ "Ishizawa", "Koutarou", "" ], [ "Suda", "Wataru", "" ], [ "Miyamoto", "Hisashi", "" ], [ "Tsuji", "Naoko", "" ], [ "Matsuura", "Makiko", "" ], [ ...
Effective biological utilization of wood biomass is necessary worldwide. Since several insect larvae can use wood biomass as a nutrient source, studies on their digestive mechanism are expected to speculate a novel rule in wood biomass processing. Here, the relationships of inhabitant bacteria involved in carbon and nitrogen metabolism in the intestine of beetle larvae, an insect model, are investigated. Bacterial analysis of larval feces showed enrichment of members of which could include candidates for plant growth promotion, nitrogen cycle modulation, and/or environmental protection. The abundances of these bacteria were not necessarily positively correlated with the abundance in the habitat, suggesting that they might be selectively enriched in the intestines of larvae. Further association analysis predicted that carbon and nitrogen metabolism in the intestine was affected by the presence of the other common bacteria, the populations of which were not remarkably altered in the habitat and feces. Based on hypotheses targeting these selected bacterial groups, structural estimation modeling analyses statistically suggested that their metabolism of carbon and nitrogen and their stable isotopes, {\delta}13C and {\delta}15N, may be associated with fecal enriched bacteria and other common bacteria. In addition, other causal inference analyses, such as causal mediation analysis, linear non-Gaussian acyclic model (LiNGAM), and BayesLiNGAM, did not necessarily affirm the existence of prominent bacteria involved in metabolism, implying its importance as the bacterial groups for metabolism rather than a remarkable bacterium. Thus, these observations highlight a multifaceted view of symbiotic bacterial groups utilizing carbon and nitrogen from wood biomass in insect larvae as a cultivator of potentially environmentally beneficial bacteria.
2402.03072
Carlos A. Velazquez-Vargas
Carlos A. Velazquez-Vargas, Isaac Ray Christian, Jordan A. Taylor and Sreejan Kumar
Learning to Abstract Visuomotor Mappings using Meta-Reinforcement Learning
null
null
null
null
q-bio.NC cs.AI cs.LG
http://creativecommons.org/licenses/by/4.0/
We investigated the human capacity to acquire multiple visuomotor mappings for de novo skills. Using a grid navigation paradigm, we tested whether contextual cues implemented as different "grid worlds", allow participants to learn two distinct key-mappings more efficiently. Our results indicate that when contextual information is provided, task performance is significantly better. The same held true for meta-reinforcement learning agents that differed in whether or not they receive contextual information when performing the task. We evaluated their accuracy in predicting human performance in the task and analyzed their internal representations. The results indicate that contextual cues allow the formation of separate representations in space and time when using different visuomotor mappings, whereas the absence of them favors sharing one representation. While both strategies can allow learning of multiple visuomotor mappings, we showed contextual cues provide a computational advantage in terms of how many mappings can be learned.
[ { "created": "Mon, 5 Feb 2024 15:02:35 GMT", "version": "v1" } ]
2024-02-06
[ [ "Velazquez-Vargas", "Carlos A.", "" ], [ "Christian", "Isaac Ray", "" ], [ "Taylor", "Jordan A.", "" ], [ "Kumar", "Sreejan", "" ] ]
We investigated the human capacity to acquire multiple visuomotor mappings for de novo skills. Using a grid navigation paradigm, we tested whether contextual cues implemented as different "grid worlds", allow participants to learn two distinct key-mappings more efficiently. Our results indicate that when contextual information is provided, task performance is significantly better. The same held true for meta-reinforcement learning agents that differed in whether or not they receive contextual information when performing the task. We evaluated their accuracy in predicting human performance in the task and analyzed their internal representations. The results indicate that contextual cues allow the formation of separate representations in space and time when using different visuomotor mappings, whereas the absence of them favors sharing one representation. While both strategies can allow learning of multiple visuomotor mappings, we showed contextual cues provide a computational advantage in terms of how many mappings can be learned.
2203.15743
Prabhakar Varuni
P. Varuni, Shakti N. Menon, and Gautam I. Menon
Phototactic cyanobacteria as an active matter system
7 pages, 4 figures
null
10.1007/s12648-022-02371-7
null
q-bio.CB cond-mat.soft
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Flocks of birds, schools of fish, mixtures of motors and cytoskeletal filaments, swimming bacteria and driven granular media are systems of interacting motile units that exhibit collective behaviour. These can all be described as active matter systems, since each individual unit takes energy from an internal energy depot and transduces it into work performed on the environment. We review a model for cyanobacterial phototaxis, emphasising the differences from other models for collective behaviour in active matter systems. The interactions between individual cells during phototaxis are dominated by mechanical forces mediated by their physical attachments through type IV pili (T4P) and through the production of "slime", a complex mixture of non-diffusible polysaccharides deposited by cells that acts to decrease friction locally. The slime, in particular, adds a component to the interaction that is local in space but non-local in time, perhaps most comparable to the pheromones laid down in ant trails. Our results suggest that the time-delayed component of the interactions between bacteria qualify their description as a novel active system, which we refer to as "damp" active matter.
[ { "created": "Tue, 29 Mar 2022 16:51:11 GMT", "version": "v1" } ]
2022-06-08
[ [ "Varuni", "P.", "" ], [ "Menon", "Shakti N.", "" ], [ "Menon", "Gautam I.", "" ] ]
Flocks of birds, schools of fish, mixtures of motors and cytoskeletal filaments, swimming bacteria and driven granular media are systems of interacting motile units that exhibit collective behaviour. These can all be described as active matter systems, since each individual unit takes energy from an internal energy depot and transduces it into work performed on the environment. We review a model for cyanobacterial phototaxis, emphasising the differences from other models for collective behaviour in active matter systems. The interactions between individual cells during phototaxis are dominated by mechanical forces mediated by their physical attachments through type IV pili (T4P) and through the production of "slime", a complex mixture of non-diffusible polysaccharides deposited by cells that acts to decrease friction locally. The slime, in particular, adds a component to the interaction that is local in space but non-local in time, perhaps most comparable to the pheromones laid down in ant trails. Our results suggest that the time-delayed component of the interactions between bacteria qualify their description as a novel active system, which we refer to as "damp" active matter.
2202.12955
Sergei Gepshtein
Sergei Gepshtein, Ambarish Pawar, Sunwoo Kwon, Sergey Savel'ev, Thomas D. Albright
Spatially distributed computation in cortical circuits
45 pages
Science Advances 8 (16), eabl5865 (2022)
10.1126/sciadv.abl5865
null
q-bio.NC
http://creativecommons.org/licenses/by/4.0/
The traditional view of neural computation in the cerebral cortex holds that sensory neurons are specialized, i.e., selective for certain dimensions of sensory stimuli. This view was challenged by evidence of contextual interactions between stimulus dimensions in which a neuron's response to one dimension strongly depends on other dimensions. Here we use methods of mathematical modeling, psychophysics, and electrophysiology to address shortcomings of the traditional view. Using a model of a generic cortical circuit, we begin with the simple demonstration that cortical responses are always distributed among neurons, forming characteristic waveforms, which we call neural waves. When stimulated by patterned stimuli, circuit responses arise by interference of neural waves. Resulting patterns of interference depend on interaction between stimulus dimensions. Comparison of these modeled responses with responses of biological vision makes it clear that the framework of neural wave interference provides a useful alternative to the standard concept of neural computation.
[ { "created": "Fri, 25 Feb 2022 20:10:03 GMT", "version": "v1" } ]
2022-04-26
[ [ "Gepshtein", "Sergei", "" ], [ "Pawar", "Ambarish", "" ], [ "Kwon", "Sunwoo", "" ], [ "Savel'ev", "Sergey", "" ], [ "Albright", "Thomas D.", "" ] ]
The traditional view of neural computation in the cerebral cortex holds that sensory neurons are specialized, i.e., selective for certain dimensions of sensory stimuli. This view was challenged by evidence of contextual interactions between stimulus dimensions in which a neuron's response to one dimension strongly depends on other dimensions. Here we use methods of mathematical modeling, psychophysics, and electrophysiology to address shortcomings of the traditional view. Using a model of a generic cortical circuit, we begin with the simple demonstration that cortical responses are always distributed among neurons, forming characteristic waveforms, which we call neural waves. When stimulated by patterned stimuli, circuit responses arise by interference of neural waves. Resulting patterns of interference depend on interaction between stimulus dimensions. Comparison of these modeled responses with responses of biological vision makes it clear that the framework of neural wave interference provides a useful alternative to the standard concept of neural computation.
q-bio/0702032
Antoine Danchin
Antoine Danchin (REG)
Bacteria are not Lamarckian
Work performed to show that the interpretation of Cairns experiments on adaptive mutations was wrong: bacteria are not lamarckian; the set up provided shows that when submitted to some sort of starvation, individual within colonies can find unexpected ways out
null
null
null
q-bio.GN
null
Instructive influence of environment on heredity has been a debated topic for centuries. Darwin's identification of natural selection coupled to chance variation as the driving force for evolution, against a formal interpretation proposed by Lamarck, convinced most scientists that environment does not specifically instruct evolution in an oriented direction. This is true for multicellular organisms. In contrast, bacteria were long thought of as prone to receive oriented influences from their environment, although much was in favour of the Darwinian route (1). In this context Cairns et al. raised a passionate debate by suggesting that bacteria generate mutations oriented by the environmental conditions (2). Several independent pieces of work subsequently demonstrated that mutations overcoming specific defects arised as a consequence of cultivation on specific media (3-7). Two diametrically opposed interpretations were proposed to explain these observations : either induction of mutations instructed by the environment (e.g. by a process involving a putative reverse transcription) or selection of variants among a large set of mutant bacteria generated when stress conditions are present. The experiments presented below indicate that the Darwinian paradigm is the most plausible.
[ { "created": "Wed, 14 Feb 2007 13:20:31 GMT", "version": "v1" } ]
2007-05-23
[ [ "Danchin", "Antoine", "", "REG" ] ]
Instructive influence of environment on heredity has been a debated topic for centuries. Darwin's identification of natural selection coupled to chance variation as the driving force for evolution, against a formal interpretation proposed by Lamarck, convinced most scientists that environment does not specifically instruct evolution in an oriented direction. This is true for multicellular organisms. In contrast, bacteria were long thought of as prone to receive oriented influences from their environment, although much was in favour of the Darwinian route (1). In this context Cairns et al. raised a passionate debate by suggesting that bacteria generate mutations oriented by the environmental conditions (2). Several independent pieces of work subsequently demonstrated that mutations overcoming specific defects arised as a consequence of cultivation on specific media (3-7). Two diametrically opposed interpretations were proposed to explain these observations : either induction of mutations instructed by the environment (e.g. by a process involving a putative reverse transcription) or selection of variants among a large set of mutant bacteria generated when stress conditions are present. The experiments presented below indicate that the Darwinian paradigm is the most plausible.
2304.09238
Jeremiah Doody Dr
J. Sean Doody, Gordon Burghardt and Vladimir Dinets
The Evolution of Sociality and the Polyvagal Theory
15 pages, 1 figure
null
null
null
q-bio.PE
http://creativecommons.org/licenses/by-nc-sa/4.0/
The polyvagal theory (PT), offered by Porges (2021), proposes that the autonomic nervous system (ANS) was repurposed in mammals, via a second vagal nerve, to suppress defensive strategies and support the expression of sociality. Three critical assumptions of this theory are that (1) the transition of the ANS was associated with the evolution of social mammals from asocial reptiles; (2) the transition enabled mammals, unlike their reptilian ancestors, to derive a biological benefit from social interactions; and (3) the transition forces a less parsimonious explanation (convergence) for the evolution of social behavior in birds and mammals, since birds evolved from a reptilian lineage. Two recently published reviews, however, provided compelling evidence that the social asocial dichotomy is overly simplistic, neglects the diversity of vertebrate social systems, impedes our understanding of the evolution of social behavior, and perpetuates the erroneous belief that one group, non-avian reptiles, is incapable of complex social behavior. In the worst case, if PT depends upon a transition from asocial reptiles to social mammals, then the ability of PT to explain the evolution of the mammalian ANS is highly questionable. A great number of social behaviors occur in both reptiles and mammals. In the best case, PT has misused the terms social and asocial. Even here, however, the theory would still need to identify a particular suite of behaviors found in mammals and not reptiles that could be associated with, or explain, the transition of the ANS, and then replace the asocial and social labels with more specific descriptors.
[ { "created": "Tue, 18 Apr 2023 18:55:01 GMT", "version": "v1" } ]
2023-04-20
[ [ "Doody", "J. Sean", "" ], [ "Burghardt", "Gordon", "" ], [ "Dinets", "Vladimir", "" ] ]
The polyvagal theory (PT), offered by Porges (2021), proposes that the autonomic nervous system (ANS) was repurposed in mammals, via a second vagal nerve, to suppress defensive strategies and support the expression of sociality. Three critical assumptions of this theory are that (1) the transition of the ANS was associated with the evolution of social mammals from asocial reptiles; (2) the transition enabled mammals, unlike their reptilian ancestors, to derive a biological benefit from social interactions; and (3) the transition forces a less parsimonious explanation (convergence) for the evolution of social behavior in birds and mammals, since birds evolved from a reptilian lineage. Two recently published reviews, however, provided compelling evidence that the social asocial dichotomy is overly simplistic, neglects the diversity of vertebrate social systems, impedes our understanding of the evolution of social behavior, and perpetuates the erroneous belief that one group, non-avian reptiles, is incapable of complex social behavior. In the worst case, if PT depends upon a transition from asocial reptiles to social mammals, then the ability of PT to explain the evolution of the mammalian ANS is highly questionable. A great number of social behaviors occur in both reptiles and mammals. In the best case, PT has misused the terms social and asocial. Even here, however, the theory would still need to identify a particular suite of behaviors found in mammals and not reptiles that could be associated with, or explain, the transition of the ANS, and then replace the asocial and social labels with more specific descriptors.
q-bio/0611017
Mauro Copelli
Mauro Copelli
Physics of Psychophysics: it is critical to sense
7 pages, 4 figures. Contribution to the 9th Granada Seminar in Computational and Statistical Physics. Computational and Mathematical Modelling of Cooperative Behavior in Neural Systems, (2006). University of Granada, Spain. AIP Proceedings
AIP Conference Proceedings -- February 8, 2007 -- Volume 887, pp. 13-20, "Cooperative Behavior in Neural Systems: Ninth Granada Lectures", edited by J. Marro, P. L. Garrido and J. J. Torres
10.1063/1.2709581
null
q-bio.NC cond-mat.dis-nn nlin.AO physics.bio-ph
null
It has been known for about a century that psychophysical response curves (perception of a given physical stimulus vs. stimulus intensity) have a large dynamic range: many decades of stimulus intensity can be appropriately discriminated before saturation. This is in stark contrast with the response curves of sensory neurons, whose dynamic range is small, usually covering only about one decade. We claim that this paradox can be solved by means of a collective phenomenon. By coupling excitable elements with small dynamic range, the {\em collective} response function shows a much larger dynamic range, due to the amplification mediated by excitable waves. Moreover, the dynamic range is optimal at the phase transition where self-sustained activity becomes stable, providing a clear example of a biologically relevant quantity being optimized at criticality. We present a pedagogical account of these ideas, which are illustrated with a simple mean field model.
[ { "created": "Mon, 6 Nov 2006 14:49:48 GMT", "version": "v1" } ]
2007-05-23
[ [ "Copelli", "Mauro", "" ] ]
It has been known for about a century that psychophysical response curves (perception of a given physical stimulus vs. stimulus intensity) have a large dynamic range: many decades of stimulus intensity can be appropriately discriminated before saturation. This is in stark contrast with the response curves of sensory neurons, whose dynamic range is small, usually covering only about one decade. We claim that this paradox can be solved by means of a collective phenomenon. By coupling excitable elements with small dynamic range, the {\em collective} response function shows a much larger dynamic range, due to the amplification mediated by excitable waves. Moreover, the dynamic range is optimal at the phase transition where self-sustained activity becomes stable, providing a clear example of a biologically relevant quantity being optimized at criticality. We present a pedagogical account of these ideas, which are illustrated with a simple mean field model.
1906.02757
Francesco Cremonesi
Francesco Cremonesi and Felix Sch\"urmann
Telling neuronal apples from oranges: analytical performance modeling of neural tissue simulations
44 pages, 9 figures
null
null
null
q-bio.NC physics.comp-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Computational modeling and simulation have become essential tools in the quest to better understand the brain's makeup and to decipher the causal interrelations of its components. The breadth of biochemical and biophysical processes and structures in the brain has led to the development of a large variety of model abstractions and specialized tools, often times requiring high performance computing resource for their timely execution. What has been missing so far was an in-depth analysis of the complexity of the computational kernels, hindering a systematic approach to identifying bottlenecks of algorithms and hardware, and their combinations. If whole brain models are to be achieved on emerging computer generations, models and simulation engines will have to be carefully co-designed for the intrinsic hardware tradeoffs. For the first time, we present a systematic exploration based on analytic performance modeling. We base our analysis on three in silico models, chosen as representative examples of the most widely employed modeling abstractions. We identify that the synaptic formalism, i.e. current or conductance based representations, and not the level of morphological detail, is the most significant factor in determining the properties of memory bandwidth saturation and shared-memory scaling of in silico models. Even though general purpose computing has, until now, largely been able to deliver high performance, we find that for all types of abstractions, network latency and memory bandwidth will become severe bottlenecks as the number of neurons to be simulated grows. By adapting and extending a performance modeling approach, we deliver a first characterization of the performance landscape of brain tissue simulations, allowing us to pinpoint current bottlenecks in state-of-the-art in silico models, and make projections for future hardware and software requirements.
[ { "created": "Thu, 6 Jun 2019 18:00:53 GMT", "version": "v1" } ]
2019-06-10
[ [ "Cremonesi", "Francesco", "" ], [ "Schürmann", "Felix", "" ] ]
Computational modeling and simulation have become essential tools in the quest to better understand the brain's makeup and to decipher the causal interrelations of its components. The breadth of biochemical and biophysical processes and structures in the brain has led to the development of a large variety of model abstractions and specialized tools, often times requiring high performance computing resource for their timely execution. What has been missing so far was an in-depth analysis of the complexity of the computational kernels, hindering a systematic approach to identifying bottlenecks of algorithms and hardware, and their combinations. If whole brain models are to be achieved on emerging computer generations, models and simulation engines will have to be carefully co-designed for the intrinsic hardware tradeoffs. For the first time, we present a systematic exploration based on analytic performance modeling. We base our analysis on three in silico models, chosen as representative examples of the most widely employed modeling abstractions. We identify that the synaptic formalism, i.e. current or conductance based representations, and not the level of morphological detail, is the most significant factor in determining the properties of memory bandwidth saturation and shared-memory scaling of in silico models. Even though general purpose computing has, until now, largely been able to deliver high performance, we find that for all types of abstractions, network latency and memory bandwidth will become severe bottlenecks as the number of neurons to be simulated grows. By adapting and extending a performance modeling approach, we deliver a first characterization of the performance landscape of brain tissue simulations, allowing us to pinpoint current bottlenecks in state-of-the-art in silico models, and make projections for future hardware and software requirements.
2203.02011
Americo Cunha Jr
Paulo Roberto de Lima Gianfelice, Ricardo Sovek Oyarzabal, Americo Cunha Jr, Jose Mario Vicensi Grzybowski, Fernando da Concei\c{c}\~ao Batista, Elbert E. N. Macau
The starting dates of COVID-19 multiple waves
null
Chaos 32, 031101 (2022)
10.1063/5.0079904
null
q-bio.PE math.DS stat.AP
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The severe acute respiratory syndrome of coronavirus 2 spread globally very quickly, causing great concern at the international level due to the severity of the associated respiratory disease, the so-called COVID-19. Considering Rio de Janeiro city (Brazil) as an example, the first diagnosis of this disease occurred in March 2020, but the exact moment when the local spread of the virus started is uncertain as the Brazilian epidemiological surveillance system was not widely prepared to detect suspected cases of COVID-19 at that time. Improvements in this surveillance system occurred over the pandemic, but due to the complex nature of the disease transmission process, specifying the exact moment of emergence of new community contagion outbreaks is a complicated task. This work aims to propose a general methodology to determine possible start dates for the multiple community outbreaks of COVID-19, using for this purpose a parametric statistical approach that combines surveillance data, nonlinear regression, and information criteria to obtain a statistical model capable of describing the multiple waves of contagion observed. The dynamics of COVID-19 in the city of Rio de Janeiro is taken as a case study, and the results suggest that the original strain of the virus was already circulating in Rio de Janeiro city as early as late February 2020, probably being massively disseminated in the population during the carnival festivities.
[ { "created": "Thu, 3 Mar 2022 20:49:02 GMT", "version": "v1" } ]
2022-03-07
[ [ "Gianfelice", "Paulo Roberto de Lima", "" ], [ "Oyarzabal", "Ricardo Sovek", "" ], [ "Cunha", "Americo", "Jr" ], [ "Grzybowski", "Jose Mario Vicensi", "" ], [ "Batista", "Fernando da Conceição", "" ], [ "Macau", "Elbert E. N."...
The severe acute respiratory syndrome of coronavirus 2 spread globally very quickly, causing great concern at the international level due to the severity of the associated respiratory disease, the so-called COVID-19. Considering Rio de Janeiro city (Brazil) as an example, the first diagnosis of this disease occurred in March 2020, but the exact moment when the local spread of the virus started is uncertain as the Brazilian epidemiological surveillance system was not widely prepared to detect suspected cases of COVID-19 at that time. Improvements in this surveillance system occurred over the pandemic, but due to the complex nature of the disease transmission process, specifying the exact moment of emergence of new community contagion outbreaks is a complicated task. This work aims to propose a general methodology to determine possible start dates for the multiple community outbreaks of COVID-19, using for this purpose a parametric statistical approach that combines surveillance data, nonlinear regression, and information criteria to obtain a statistical model capable of describing the multiple waves of contagion observed. The dynamics of COVID-19 in the city of Rio de Janeiro is taken as a case study, and the results suggest that the original strain of the virus was already circulating in Rio de Janeiro city as early as late February 2020, probably being massively disseminated in the population during the carnival festivities.
1802.01055
S. H. Andy Yun
Peng Shao, Amira M. Eltony, Theo G. Seiler, Behrouz Tavakol, Roberto Pineda, Tobias Koller, Theo Seiler, Seok-Hyun Yun
Spatially-resolved Brillouin spectroscopy reveals biomechanical changes in early ectatic corneal disease and post-crosslinking in vivo
39 pages, 8 main figures, supplementary information
null
null
null
q-bio.QM physics.med-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Mounting evidence connects the biomechanical properties of tissues to the development of eye diseases such as keratoconus, a common disease in which the cornea thins and bulges into a conical shape. However, measuring biomechanical changes in vivo with sufficient sensitivity for disease detection has proved challenging. Here, we present a first large-scale study (~200 subjects, including normal and keratoconus patients) using Brillouin light-scattering microscopy to measure longitudinal modulus in corneal tissues with high sensitivity and spatial resolution. Our results in vivo provide evidence of biomechanical inhomogeneity at the onset of keratoconus and suggest that biomechanical asymmetry between the left and right eyes may presage disease development. We additionally measure the stiffening effect of corneal crosslinking treatment in vivo for the first time. Our results demonstrate the promise of Brillouin microscopy for diagnosis and treatment of keratoconus, and potentially other diseases.
[ { "created": "Sun, 4 Feb 2018 01:26:51 GMT", "version": "v1" } ]
2018-02-06
[ [ "Shao", "Peng", "" ], [ "Eltony", "Amira M.", "" ], [ "Seiler", "Theo G.", "" ], [ "Tavakol", "Behrouz", "" ], [ "Pineda", "Roberto", "" ], [ "Koller", "Tobias", "" ], [ "Seiler", "Theo", "" ], [ "Y...
Mounting evidence connects the biomechanical properties of tissues to the development of eye diseases such as keratoconus, a common disease in which the cornea thins and bulges into a conical shape. However, measuring biomechanical changes in vivo with sufficient sensitivity for disease detection has proved challenging. Here, we present a first large-scale study (~200 subjects, including normal and keratoconus patients) using Brillouin light-scattering microscopy to measure longitudinal modulus in corneal tissues with high sensitivity and spatial resolution. Our results in vivo provide evidence of biomechanical inhomogeneity at the onset of keratoconus and suggest that biomechanical asymmetry between the left and right eyes may presage disease development. We additionally measure the stiffening effect of corneal crosslinking treatment in vivo for the first time. Our results demonstrate the promise of Brillouin microscopy for diagnosis and treatment of keratoconus, and potentially other diseases.
2303.04919
Vaibhava Srivastava
Shangming Chen, Fengde Chen, Vaibhava Srivastava and Rana D. Parshad
Dynamical Analysis of a Lotka-Volterra Competition Model with both Allee and Fear Effect
null
null
null
null
q-bio.PE math.DS
http://creativecommons.org/licenses/by/4.0/
Population ecology theory is replete with density dependent processes. However trait-mediated or behavioral indirect interactions can both reinforce or oppose density-dependent effects. This paper presents the first two species competitive ODE and PDE systems where an Allee effect, which is a density dependent process and the fear effect, which is non-consumptive and behavioral are both present. The stability of the equilibria is discussed analytically using the qualitative theory of ordinary differential equations. It is found that the Allee effect and the fear effect change the extinction dynamics of the system and the number of positive equilibrium points, but they do not affect the stability of the positive equilibria. We also observe some special dynamics that induce bifurcations in the system by varying the Allee or fear parameter. Interestingly we find that the Allee effect working in conjunction with the fear effect, can bring about several qualitative changes to the dynamical behavior of the system with only the fear effect in place, in regimes of small fear. That is, for small amounts of the fear parameter, it can change a competitive exclusion type situation to a strong competition type situation. It can also change a weak competition type situation to a bi-stability type situation. However for large fear regimes the Allee effect reinforces the dynamics driven by the fear effect. The analysis of the corresponding spatially explicit model is also presented. To this end the comparison principle for parabolic PDE is used. The conclusions of this paper have strong implications for conservation biology, biological control as well as the preservation of biodiversity.
[ { "created": "Wed, 8 Mar 2023 22:27:45 GMT", "version": "v1" } ]
2023-03-10
[ [ "Chen", "Shangming", "" ], [ "Chen", "Fengde", "" ], [ "Srivastava", "Vaibhava", "" ], [ "Parshad", "Rana D.", "" ] ]
Population ecology theory is replete with density dependent processes. However trait-mediated or behavioral indirect interactions can both reinforce or oppose density-dependent effects. This paper presents the first two species competitive ODE and PDE systems where an Allee effect, which is a density dependent process and the fear effect, which is non-consumptive and behavioral are both present. The stability of the equilibria is discussed analytically using the qualitative theory of ordinary differential equations. It is found that the Allee effect and the fear effect change the extinction dynamics of the system and the number of positive equilibrium points, but they do not affect the stability of the positive equilibria. We also observe some special dynamics that induce bifurcations in the system by varying the Allee or fear parameter. Interestingly we find that the Allee effect working in conjunction with the fear effect, can bring about several qualitative changes to the dynamical behavior of the system with only the fear effect in place, in regimes of small fear. That is, for small amounts of the fear parameter, it can change a competitive exclusion type situation to a strong competition type situation. It can also change a weak competition type situation to a bi-stability type situation. However for large fear regimes the Allee effect reinforces the dynamics driven by the fear effect. The analysis of the corresponding spatially explicit model is also presented. To this end the comparison principle for parabolic PDE is used. The conclusions of this paper have strong implications for conservation biology, biological control as well as the preservation of biodiversity.
1207.1236
Marta Casanellas
Ania Kedzierska and Marta Casanellas
Empar: EM-based algorithm for parameter estimation of Markov models on trees
null
null
null
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The goal of branch length estimation in phylogenetic inference is to estimate the divergence time between a set of sequences based on compositional differences between them. A number of software is currently available facilitating branch lengths estimation for homogeneous and stationary evolutionary models. Homogeneity of the evolutionary process imposes fixed rates of evolution throughout the tree. In complex data problems this assumption is likely to put the results of the analyses in question. In this work we propose an algorithm for parameter and branch lengths inference in the discrete-time Markov processes on trees. This broad class of nonhomogeneous models comprises the general Markov model and all its submodels, including both stationary and nonstationary models. Here, we adapted the well-known Expectation-Maximization algorithm and present a detailed performance study of this approach for a selection of nonhomogeneous evolutionary models. We conducted an extensive performance assessment on multiple sequence alignments simulated under a variety of settings. We demonstrated high accuracy of the tool in parameter estimation and branch lengths recovery, proving the method to be a valuable tool for phylogenetic inference in real life problems. $\empar$ is an open-source C++ implementation of the methods introduced in this paper and is the first tool designed to handle nonhomogeneous data.
[ { "created": "Thu, 5 Jul 2012 12:12:14 GMT", "version": "v1" } ]
2012-07-06
[ [ "Kedzierska", "Ania", "" ], [ "Casanellas", "Marta", "" ] ]
The goal of branch length estimation in phylogenetic inference is to estimate the divergence time between a set of sequences based on compositional differences between them. A number of software is currently available facilitating branch lengths estimation for homogeneous and stationary evolutionary models. Homogeneity of the evolutionary process imposes fixed rates of evolution throughout the tree. In complex data problems this assumption is likely to put the results of the analyses in question. In this work we propose an algorithm for parameter and branch lengths inference in the discrete-time Markov processes on trees. This broad class of nonhomogeneous models comprises the general Markov model and all its submodels, including both stationary and nonstationary models. Here, we adapted the well-known Expectation-Maximization algorithm and present a detailed performance study of this approach for a selection of nonhomogeneous evolutionary models. We conducted an extensive performance assessment on multiple sequence alignments simulated under a variety of settings. We demonstrated high accuracy of the tool in parameter estimation and branch lengths recovery, proving the method to be a valuable tool for phylogenetic inference in real life problems. $\empar$ is an open-source C++ implementation of the methods introduced in this paper and is the first tool designed to handle nonhomogeneous data.
2107.09696
Katharina Huber
Katharina T. Huber, Vincent Moulton, Andreas Spillner
Phylogenetic consensus networks: Computing a consensus of 1-nested phylogenetic networks
null
null
null
null
q-bio.PE
http://creativecommons.org/licenses/by-nc-nd/4.0/
An important and well-studied problem in phylogenetics is to compute a \emph{consensus tree} so as to summarize the common features within a collection of rooted phylogenetic trees, all whose leaf-sets are bijectively labeled by the same set~(X) of species. More recently, however, it has become of interest to find a consensus for a collection of more general, rooted directed acyclic graphs all of whose sink-sets are bijectively labeled by~(X), so called rooted \emph{phylogenetic networks}. These networks are used to analyse the evolution of species that cross with one another, such as plants and viruses. In this paper, we introduce an algorithm for computing a consensus for a collection of so-called 1-\emph{nested} phylogenetic networks. Our approach builds on a previous result by Rosell\'o et al. that describes an encoding for any 1-nested phylogenetic network in terms of a collection of ordered pairs of subsets of (X).More specifically, we characterize those collections of ordered pairs that arise as the encoding of some 1-nested phylogenetic network, and then use this characterization to compute a \emph{consensus network} for a collection of~$t$ 1-nested networks in $O(t|X|^2+|X|^3)$ time. Applying our algorithm to a collection of phylogenetic trees yields the well-known majority rule consensus tree. Our approach leads to several new directions for futurework, and we expect that it should provide a useful new tool to help understand complex evolutionary scenarios.
[ { "created": "Tue, 20 Jul 2021 18:02:21 GMT", "version": "v1" } ]
2021-07-22
[ [ "Huber", "Katharina T.", "" ], [ "Moulton", "Vincent", "" ], [ "Spillner", "Andreas", "" ] ]
An important and well-studied problem in phylogenetics is to compute a \emph{consensus tree} so as to summarize the common features within a collection of rooted phylogenetic trees, all whose leaf-sets are bijectively labeled by the same set~(X) of species. More recently, however, it has become of interest to find a consensus for a collection of more general, rooted directed acyclic graphs all of whose sink-sets are bijectively labeled by~(X), so called rooted \emph{phylogenetic networks}. These networks are used to analyse the evolution of species that cross with one another, such as plants and viruses. In this paper, we introduce an algorithm for computing a consensus for a collection of so-called 1-\emph{nested} phylogenetic networks. Our approach builds on a previous result by Rosell\'o et al. that describes an encoding for any 1-nested phylogenetic network in terms of a collection of ordered pairs of subsets of (X).More specifically, we characterize those collections of ordered pairs that arise as the encoding of some 1-nested phylogenetic network, and then use this characterization to compute a \emph{consensus network} for a collection of~$t$ 1-nested networks in $O(t|X|^2+|X|^3)$ time. Applying our algorithm to a collection of phylogenetic trees yields the well-known majority rule consensus tree. Our approach leads to several new directions for futurework, and we expect that it should provide a useful new tool to help understand complex evolutionary scenarios.
1509.03621
Luca Mazzucato
Luca Mazzucato, Alfredo Fontanini, Giancarlo La Camera
Stimuli reduce the dimensionality of cortical activity
30 pages, 8 figures; v2 in press, 9 figures, major improvements, including comparison to shuffled datasets, analytical derivation of estimation bias; v3, fixed typo in Fig. 8A
Front Syst Neurosci. 2016 Feb 17;10:11
10.3389/fnsys.2016.00011
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The activity of ensembles of simultaneously recorded neurons can be represented as a set of points in the space of firing rates. Even though the dimension of this space is equal to the ensemble size, neural activity can be effectively localized on smaller subspaces. The dimensionality of the neural space is an important determinant of the computational tasks supported by the neural activity. Here, we investigate the dimensionality of neural ensembles from the sensory cortex of alert rats during period of ongoing (inter-trial) and stimulus-evoked activity. We find that dimensionality grows linearly with ensemble size, and grows significantly faster during ongoing activity compared to evoked activity. We explain these results using a spiking network model based on a clustered architecture. The model captures the difference in growth rate between ongoing and evoked activity and predicts a characteristic scaling with ensemble size that could be tested in high-density multi-electrode recordings. Moreover, the model predicts the existence of an upper bound on dimensionality. This upper bound is inversely proportional to the amount of pair-wise correlations and, compared to a homogeneous network without clusters, it is larger by a factor equal to the number of clusters. The empirical estimation of such bounds depends on the number and duration of trials. Together, these results provide a framework to analyze neural dimensionality in alert animals, its behavior under stimulus presentation, and its theoretical dependence on ensemble size, number of clusters, and pair-wise correlations in spiking network models.
[ { "created": "Fri, 11 Sep 2015 19:36:39 GMT", "version": "v1" }, { "created": "Thu, 4 Feb 2016 19:15:49 GMT", "version": "v2" }, { "created": "Wed, 16 Mar 2016 14:25:55 GMT", "version": "v3" } ]
2016-03-17
[ [ "Mazzucato", "Luca", "" ], [ "Fontanini", "Alfredo", "" ], [ "La Camera", "Giancarlo", "" ] ]
The activity of ensembles of simultaneously recorded neurons can be represented as a set of points in the space of firing rates. Even though the dimension of this space is equal to the ensemble size, neural activity can be effectively localized on smaller subspaces. The dimensionality of the neural space is an important determinant of the computational tasks supported by the neural activity. Here, we investigate the dimensionality of neural ensembles from the sensory cortex of alert rats during period of ongoing (inter-trial) and stimulus-evoked activity. We find that dimensionality grows linearly with ensemble size, and grows significantly faster during ongoing activity compared to evoked activity. We explain these results using a spiking network model based on a clustered architecture. The model captures the difference in growth rate between ongoing and evoked activity and predicts a characteristic scaling with ensemble size that could be tested in high-density multi-electrode recordings. Moreover, the model predicts the existence of an upper bound on dimensionality. This upper bound is inversely proportional to the amount of pair-wise correlations and, compared to a homogeneous network without clusters, it is larger by a factor equal to the number of clusters. The empirical estimation of such bounds depends on the number and duration of trials. Together, these results provide a framework to analyze neural dimensionality in alert animals, its behavior under stimulus presentation, and its theoretical dependence on ensemble size, number of clusters, and pair-wise correlations in spiking network models.
1309.4692
Liane Gabora
Liane Gabora
An Analysis of the 'Blind Variation and Selective Retention' Theory of Creativity
null
Creativity Research Journal, 23(2), 155-165 (2011)
10.1080/10400419.2011.571187
null
q-bio.NC q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Picasso's Guernica sketches continue to provide a fruitful testing ground for examining and assessing the Blind Variation Selective Retention (BVSR) theory of creativity. Nonmonotonicity--e.g. as indicated by a lack of similarity of successive sketches--is not evidence of a selectionist process; Darwin's theory explains adaptive change, not nonmonotonicity. Although the notion of blindness originally implied randomness, it now encompasses phenomena that bias idea generation, e.g. the influence of remote associations on sketch ideas. However, for a selectionist framework is to be applicable, such biases must be negligible, otherwise evolutionary change is attributed to those biases, not to selection. The notion of 'variants' should not be applied to creativity; without a mechanism of inheritance, there is no basis upon which to delineate, for example, which sketch ideas are or are not variants of a given sketch idea. The notion of selective retention is also problematic. Selection provides an explanation when acquired change is not transmitted; it cannot apply to Picasso's painting (or other creative acts) because his ideas acquired modifications as he thought them through that were incorporated into paintings and viewed by others. The generation of one sketch affects the criteria by which the next is judged, so sequentially generated sketches cannot be treated as members of a generation, and selected amongst. Although BVSR is inappropriate as a theoretical framework for creativity, exploring to what extent selectionism explains the generation of not just biological form but masterpieces such as Picasso's Guernica is useful for gaining insight into creativity.
[ { "created": "Wed, 18 Sep 2013 16:16:35 GMT", "version": "v1" }, { "created": "Sun, 30 Jun 2019 02:25:18 GMT", "version": "v2" } ]
2019-07-02
[ [ "Gabora", "Liane", "" ] ]
Picasso's Guernica sketches continue to provide a fruitful testing ground for examining and assessing the Blind Variation Selective Retention (BVSR) theory of creativity. Nonmonotonicity--e.g. as indicated by a lack of similarity of successive sketches--is not evidence of a selectionist process; Darwin's theory explains adaptive change, not nonmonotonicity. Although the notion of blindness originally implied randomness, it now encompasses phenomena that bias idea generation, e.g. the influence of remote associations on sketch ideas. However, for a selectionist framework is to be applicable, such biases must be negligible, otherwise evolutionary change is attributed to those biases, not to selection. The notion of 'variants' should not be applied to creativity; without a mechanism of inheritance, there is no basis upon which to delineate, for example, which sketch ideas are or are not variants of a given sketch idea. The notion of selective retention is also problematic. Selection provides an explanation when acquired change is not transmitted; it cannot apply to Picasso's painting (or other creative acts) because his ideas acquired modifications as he thought them through that were incorporated into paintings and viewed by others. The generation of one sketch affects the criteria by which the next is judged, so sequentially generated sketches cannot be treated as members of a generation, and selected amongst. Although BVSR is inappropriate as a theoretical framework for creativity, exploring to what extent selectionism explains the generation of not just biological form but masterpieces such as Picasso's Guernica is useful for gaining insight into creativity.
1303.6700
Tatiana Tatarinova
Tatiana Tatarinova, Michael Neely, Jay Bartroff, Michael van Guilder, Walter Yamada, David Bayard, Roger Jelliffe, Robert Leary, Alyona Chubatiuk and Alan Schumitzky
Two General Methods for Population Pharmacokinetic Modeling: Non-Parametric Adaptive Grid and Non-Parametric Bayesian
null
Tatarinova et al, Journal of Pharmacokinetics and Pharmacodynamics, 2013, vol. 40 no 1
10.1007/s10928-013-9302-8
null
q-bio.QM q-bio.GN stat.AP stat.ME
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Population pharmacokinetic (PK) modeling methods can be statistically classified as either parametric or nonparametric (NP). Each classification can be divided into maximum likelihood (ML) or Bayesian (B) approaches. In this paper we discuss the nonparametric case using both maximum likelihood and Bayesian approaches. We present two nonparametric methods for estimating the unknown joint population distribution of model parameter values in a pharmacokinetic/pharmacodynamic (PK/PD) dataset. The first method is the NP Adaptive Grid (NPAG). The second is the NP Bayesian (NPB) algorithm with a stick-breaking process to construct a Dirichlet prior. Our objective is to compare the performance of these two methods using a simulated PK/PD dataset. Our results showed excellent performance of NPAG and NPB in a realistically simulated PK study. This simulation allowed us to have benchmarks in the form of the true population parameters to compare with the estimates produced by the two methods, while incorporating challenges like unbalanced sample times and sample numbers as well as the ability to include the covariate of patient weight. We conclude that both NPML and NPB can be used in realistic PK/PD population analysis problems. The advantages of one versus the other are discussed in the paper. NPAG and NPB are implemented in R and freely available for download within the Pmetrics package from www.lapk.org.
[ { "created": "Tue, 26 Mar 2013 23:04:41 GMT", "version": "v1" } ]
2013-03-29
[ [ "Tatarinova", "Tatiana", "" ], [ "Neely", "Michael", "" ], [ "Bartroff", "Jay", "" ], [ "van Guilder", "Michael", "" ], [ "Yamada", "Walter", "" ], [ "Bayard", "David", "" ], [ "Jelliffe", "Roger", "" ], ...
Population pharmacokinetic (PK) modeling methods can be statistically classified as either parametric or nonparametric (NP). Each classification can be divided into maximum likelihood (ML) or Bayesian (B) approaches. In this paper we discuss the nonparametric case using both maximum likelihood and Bayesian approaches. We present two nonparametric methods for estimating the unknown joint population distribution of model parameter values in a pharmacokinetic/pharmacodynamic (PK/PD) dataset. The first method is the NP Adaptive Grid (NPAG). The second is the NP Bayesian (NPB) algorithm with a stick-breaking process to construct a Dirichlet prior. Our objective is to compare the performance of these two methods using a simulated PK/PD dataset. Our results showed excellent performance of NPAG and NPB in a realistically simulated PK study. This simulation allowed us to have benchmarks in the form of the true population parameters to compare with the estimates produced by the two methods, while incorporating challenges like unbalanced sample times and sample numbers as well as the ability to include the covariate of patient weight. We conclude that both NPML and NPB can be used in realistic PK/PD population analysis problems. The advantages of one versus the other are discussed in the paper. NPAG and NPB are implemented in R and freely available for download within the Pmetrics package from www.lapk.org.
1904.00445
Nicholas Heller
Nicholas Heller, Niranjan Sathianathen, Arveen Kalapara, Edward Walczak, Keenan Moore, Heather Kaluzniak, Joel Rosenberg, Paul Blake, Zachary Rengel, Makinna Oestreich, Joshua Dean, Michael Tradewell, Aneri Shah, Resha Tejpaul, Zachary Edgerton, Matthew Peterson, Shaneabbas Raza, Subodh Regmi, Nikolaos Papanikolopoulos, and Christopher Weight
The KiTS19 Challenge Data: 300 Kidney Tumor Cases with Clinical Context, CT Semantic Segmentations, and Surgical Outcomes
13 pages, 2 figures
null
null
null
q-bio.QM cs.LG stat.ML
http://creativecommons.org/publicdomain/zero/1.0/
The morphometry of a kidney tumor revealed by contrast-enhanced Computed Tomography (CT) imaging is an important factor in clinical decision making surrounding the lesion's diagnosis and treatment. Quantitative study of the relationship between kidney tumor morphology and clinical outcomes is difficult due to data scarcity and the laborious nature of manually quantifying imaging predictors. Automatic semantic segmentation of kidneys and kidney tumors is a promising tool towards automatically quantifying a wide array of morphometric features, but no sizeable annotated dataset is currently available to train models for this task. We present the KiTS19 challenge dataset: A collection of multi-phase CT imaging, segmentation masks, and comprehensive clinical outcomes for 300 patients who underwent nephrectomy for kidney tumors at our center between 2010 and 2018. 210 (70%) of these patients were selected at random as the training set for the 2019 MICCAI KiTS Kidney Tumor Segmentation Challenge and have been released publicly. With the presence of clinical context and surgical outcomes, this data can serve not only for benchmarking semantic segmentation models, but also for developing and studying biomarkers which make use of the imaging and semantic segmentation masks.
[ { "created": "Sun, 31 Mar 2019 16:56:10 GMT", "version": "v1" }, { "created": "Sun, 15 Mar 2020 14:06:45 GMT", "version": "v2" } ]
2020-03-17
[ [ "Heller", "Nicholas", "" ], [ "Sathianathen", "Niranjan", "" ], [ "Kalapara", "Arveen", "" ], [ "Walczak", "Edward", "" ], [ "Moore", "Keenan", "" ], [ "Kaluzniak", "Heather", "" ], [ "Rosenberg", "Joel", "...
The morphometry of a kidney tumor revealed by contrast-enhanced Computed Tomography (CT) imaging is an important factor in clinical decision making surrounding the lesion's diagnosis and treatment. Quantitative study of the relationship between kidney tumor morphology and clinical outcomes is difficult due to data scarcity and the laborious nature of manually quantifying imaging predictors. Automatic semantic segmentation of kidneys and kidney tumors is a promising tool towards automatically quantifying a wide array of morphometric features, but no sizeable annotated dataset is currently available to train models for this task. We present the KiTS19 challenge dataset: A collection of multi-phase CT imaging, segmentation masks, and comprehensive clinical outcomes for 300 patients who underwent nephrectomy for kidney tumors at our center between 2010 and 2018. 210 (70%) of these patients were selected at random as the training set for the 2019 MICCAI KiTS Kidney Tumor Segmentation Challenge and have been released publicly. With the presence of clinical context and surgical outcomes, this data can serve not only for benchmarking semantic segmentation models, but also for developing and studying biomarkers which make use of the imaging and semantic segmentation masks.
2008.04940
Corey Weistuch
Corey Weistuch, Lilianne R. Mujica-Parodi, and Ken Dill
The refractory period matters: unifying mechanisms of macroscopic brain waves
null
null
null
null
q-bio.NC
http://creativecommons.org/licenses/by-sa/4.0/
The relationship between complex, brain oscillations and the dynamics of individual neurons is poorly understood. Here we utilize Maximum Caliber, a dynamical inference principle, to build a minimal, yet general model of the collective (mean-field) dynamics of large populations of neurons. In agreement with previous experimental observations, we describe a simple, testable mechanism, involving only a single type of neuron, by which many of these complex oscillatory patterns may emerge. Our model predicts that the refractory period of neurons, which has been previously neglected, is essential for these behaviors.
[ { "created": "Tue, 11 Aug 2020 18:10:43 GMT", "version": "v1" }, { "created": "Thu, 3 Sep 2020 16:31:43 GMT", "version": "v2" } ]
2020-09-04
[ [ "Weistuch", "Corey", "" ], [ "Mujica-Parodi", "Lilianne R.", "" ], [ "Dill", "Ken", "" ] ]
The relationship between complex, brain oscillations and the dynamics of individual neurons is poorly understood. Here we utilize Maximum Caliber, a dynamical inference principle, to build a minimal, yet general model of the collective (mean-field) dynamics of large populations of neurons. In agreement with previous experimental observations, we describe a simple, testable mechanism, involving only a single type of neuron, by which many of these complex oscillatory patterns may emerge. Our model predicts that the refractory period of neurons, which has been previously neglected, is essential for these behaviors.
0912.0157
Mauro Mobilia
Mauro Mobilia and Michael Assaf
Fixation in Evolutionary Games under Non-Vanishing Selection
4 figures, to appear in EPL (Europhysics Letters)
EPL Vol. 91, 10002 (2010)
10.1209/0295-5075/91/10002
null
q-bio.PE cond-mat.stat-mech nlin.AO q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
One of the most striking effect of fluctuations in evolutionary game theory is the possibility for mutants to fixate (take over) an entire population. Here, we generalize a recent WKB-based theory to study fixation in evolutionary games under non-vanishing selection, and investigate the relation between selection intensity w and demographic (random) fluctuations. This allows the accurate treatment of large fluctuations and yields the probability and mean times of fixation beyond the weak selection limit. The power of the theory is demonstrated on prototypical models of cooperation dilemmas with multiple absorbing states. Our predictions compare excellently with numerical simulations and, for finite w, significantly improve over those of the Fokker-Planck approximation.
[ { "created": "Tue, 1 Dec 2009 13:55:05 GMT", "version": "v1" }, { "created": "Thu, 4 Feb 2010 18:47:15 GMT", "version": "v2" }, { "created": "Mon, 21 Jun 2010 19:16:29 GMT", "version": "v3" } ]
2010-08-27
[ [ "Mobilia", "Mauro", "" ], [ "Assaf", "Michael", "" ] ]
One of the most striking effect of fluctuations in evolutionary game theory is the possibility for mutants to fixate (take over) an entire population. Here, we generalize a recent WKB-based theory to study fixation in evolutionary games under non-vanishing selection, and investigate the relation between selection intensity w and demographic (random) fluctuations. This allows the accurate treatment of large fluctuations and yields the probability and mean times of fixation beyond the weak selection limit. The power of the theory is demonstrated on prototypical models of cooperation dilemmas with multiple absorbing states. Our predictions compare excellently with numerical simulations and, for finite w, significantly improve over those of the Fokker-Planck approximation.
2104.01829
Nelson Duran
Nelson Duran, Joao C.C. Alonso, Wagner J. Favaro
Deprenyl, an old drug with new anticancer potential: Mini review
10 pages 1 figure
null
null
null
q-bio.BM
http://creativecommons.org/licenses/by-nc-nd/4.0/
The anticancer potential of monoamine oxidase (MAO) was observed in pre-clinical assays conducted with cell cultures and animals. L-Deprenyl (DEP) causes apoptosis in melanoma, leukemia and mammary cells. High-dose DEP has shown toxicity in mammary and pituitary cancers, as well as in monoblastic leukemia, in rats. DEP accounts for immune-stimulant effect capable of increasing natural killer cell activity, IL-2 generation, as well as of inhibiting tumor growth. DEP administration in old female rats has increased IL-2 generation and inverted the age-related depletion of IFN-{\gamma} generation in the spleen. Co-adjuvant DEP administration helped preventing/mitigating symptoms associated with peripheral neuropathy in cancer treatment. It also enhanced the cytotoxic effects of antineoplastic drugs - such as doxorubicin, cisplatin, among others - in cancer cells while they protected healthy cells from being damaged. DEP presented effect against dysfunctions such as debilitating hormone imbalance triggered by pituitary gland tumor; this gland produces the stimulatory hormone of adrenocorticotropic hormone which was related to the exacerbation of this disease. Thus, DEP emerges as an excellent potential drug against several cancer types and it also presents low toxicity in Parkinson`s disease patients subjected to long treatment with it.
[ { "created": "Mon, 5 Apr 2021 09:50:51 GMT", "version": "v1" } ]
2021-04-06
[ [ "Duran", "Nelson", "" ], [ "Alonso", "Joao C. C.", "" ], [ "Favaro", "Wagner J.", "" ] ]
The anticancer potential of monoamine oxidase (MAO) was observed in pre-clinical assays conducted with cell cultures and animals. L-Deprenyl (DEP) causes apoptosis in melanoma, leukemia and mammary cells. High-dose DEP has shown toxicity in mammary and pituitary cancers, as well as in monoblastic leukemia, in rats. DEP accounts for immune-stimulant effect capable of increasing natural killer cell activity, IL-2 generation, as well as of inhibiting tumor growth. DEP administration in old female rats has increased IL-2 generation and inverted the age-related depletion of IFN-{\gamma} generation in the spleen. Co-adjuvant DEP administration helped preventing/mitigating symptoms associated with peripheral neuropathy in cancer treatment. It also enhanced the cytotoxic effects of antineoplastic drugs - such as doxorubicin, cisplatin, among others - in cancer cells while they protected healthy cells from being damaged. DEP presented effect against dysfunctions such as debilitating hormone imbalance triggered by pituitary gland tumor; this gland produces the stimulatory hormone of adrenocorticotropic hormone which was related to the exacerbation of this disease. Thus, DEP emerges as an excellent potential drug against several cancer types and it also presents low toxicity in Parkinson`s disease patients subjected to long treatment with it.
1003.0104
Konstantin Klemm
Gunnar Boldhaus, Nils Bertschinger, Johannes Rauh, Eckehard Olbrich, and Konstantin Klemm
Knockouts, Robustness and Cell Cycles
11 pages, 3 figures, 3 tables
null
10.1103/PhysRevE.82.021916
null
q-bio.MN
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The response to a knockout of a node is a characteristic feature of a networked dynamical system. Knockout resilience in the dynamics of the remaining nodes is a sign of robustness. Here we study the effect of knockouts for binary state sequences and their implementations in terms of Boolean threshold networks. Beside random sequences with biologically plausible constraints, we analyze the cell cycle sequence of the species Saccharomyces cerevisiae and the Boolean networks implementing it. Comparing with an appropriate null model we do not find evidence that the yeast wildtype network is optimized for high knockout resilience. Our notion of knockout resilience weakly correlates with the size of the basin of attraction, which has also been considered a measure of robustness.
[ { "created": "Sat, 27 Feb 2010 15:23:50 GMT", "version": "v1" } ]
2013-05-29
[ [ "Boldhaus", "Gunnar", "" ], [ "Bertschinger", "Nils", "" ], [ "Rauh", "Johannes", "" ], [ "Olbrich", "Eckehard", "" ], [ "Klemm", "Konstantin", "" ] ]
The response to a knockout of a node is a characteristic feature of a networked dynamical system. Knockout resilience in the dynamics of the remaining nodes is a sign of robustness. Here we study the effect of knockouts for binary state sequences and their implementations in terms of Boolean threshold networks. Beside random sequences with biologically plausible constraints, we analyze the cell cycle sequence of the species Saccharomyces cerevisiae and the Boolean networks implementing it. Comparing with an appropriate null model we do not find evidence that the yeast wildtype network is optimized for high knockout resilience. Our notion of knockout resilience weakly correlates with the size of the basin of attraction, which has also been considered a measure of robustness.
0910.2783
Simon Childs
S. J. Childs
The Finite Element Implementation of a K.P.P. Equation for the Simulation of Tsetse Control Measures in the Vicinity of a Game Reserve
31 pages, 14 figures, 4 tables
Mathematical Biosciences, 227: 29--43, 2010
null
null
q-bio.QM q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
An equation, strongly reminiscent of Fisher's equation, is used to model the response of tsetse populations to proposed control measures in the vicinity of a game reserve. The model assumes movement is by diffusion and that growth is logistic. This logistic growth is dependent on an historical population, in contrast to Fisher's equation which bases it on the present population. The model therefore takes into account the fact that new additions to the adult fly population are, in actual fact, the descendents of a population which existed one puparial duration ago, furthermore, that this puparial duration is temperature dependent. Artificially imposed mortality is modelled as a proportion at a constant rate. Fisher's equation is also solved as a formality. The temporary imposition of a 2 % $\mathrm{day}^{-1}$ mortality everywhere outside the reserve for a period of 2 years will have no lasting effect on the influence of the reserve on either the Glossina austeni or the G. brevipalpis populations, although it certainly will eradicate tsetse from poor habitat, outside the reserve. A 5 $\mathrm{km}$-wide barrier with a minimum mortality of 4 % $\mathrm{day}^{-1}$, throughout, will succeed in isolating a worst-case, G. austeni population and its associated trypanosomiasis from the surrounding areas. A more optimistic estimate of its mobility suggests a mortality of 2 % $\mathrm{day}^{-1}$ will suffice. For a given target-related mortality, more mobile species are found to be more vulnerable to eradication than more sedentary species, while the opposite is true for containment.
[ { "created": "Thu, 15 Oct 2009 17:32:27 GMT", "version": "v1" }, { "created": "Fri, 30 Oct 2009 14:28:37 GMT", "version": "v2" }, { "created": "Thu, 14 Aug 2014 09:12:06 GMT", "version": "v3" }, { "created": "Mon, 25 May 2015 12:32:34 GMT", "version": "v4" } ]
2015-05-26
[ [ "Childs", "S. J.", "" ] ]
An equation, strongly reminiscent of Fisher's equation, is used to model the response of tsetse populations to proposed control measures in the vicinity of a game reserve. The model assumes movement is by diffusion and that growth is logistic. This logistic growth is dependent on an historical population, in contrast to Fisher's equation which bases it on the present population. The model therefore takes into account the fact that new additions to the adult fly population are, in actual fact, the descendents of a population which existed one puparial duration ago, furthermore, that this puparial duration is temperature dependent. Artificially imposed mortality is modelled as a proportion at a constant rate. Fisher's equation is also solved as a formality. The temporary imposition of a 2 % $\mathrm{day}^{-1}$ mortality everywhere outside the reserve for a period of 2 years will have no lasting effect on the influence of the reserve on either the Glossina austeni or the G. brevipalpis populations, although it certainly will eradicate tsetse from poor habitat, outside the reserve. A 5 $\mathrm{km}$-wide barrier with a minimum mortality of 4 % $\mathrm{day}^{-1}$, throughout, will succeed in isolating a worst-case, G. austeni population and its associated trypanosomiasis from the surrounding areas. A more optimistic estimate of its mobility suggests a mortality of 2 % $\mathrm{day}^{-1}$ will suffice. For a given target-related mortality, more mobile species are found to be more vulnerable to eradication than more sedentary species, while the opposite is true for containment.
2103.13919
Bertrand Roehner
Eduardo M. Garcia-Roger, Peter Richmond, Bertrand M. Roehner
Is there an infant mortality in bacteria?
16 p., 5 figures
null
null
null
q-bio.CB physics.bio-ph
http://creativecommons.org/licenses/by/4.0/
This manuscript proposes a significant step in our long-run investigation of infant mortality across species. Since 2016 (Berrut et al. 2016) a succession of studies (Bois et al. 2019) have traced infant mortality from organisms of high complexity (e.g. mammals) down to unicellular organisms. Infant mortality may be considered as a filtering process through which organisms with potentially lethal congenital defects are eliminated. Such defects may have many causes but here we focus particularly on mishaps resulting from non-optimal conditions in the production of proteins, enzymes and other crucial macromolecules. The statistical signature of infant mortality consists in a falling age-specific death rate. The question we address here is whether infant mortality episodes take place in bacteria in the minutes precededing or following cell division. It will be shown that while experiments carried out in the 20th century tried but failed to detect such an effect (mostly because of limited sample size), more recent observations provided consistent evidence of a sizeable mortality, with a rate of the order of 0.7 per 1,000 per hour, in the exponential growth phase of E. coli. A further crucial test will be to measure the age-specific, post-division death rate. An experiment is outlined for that purpose. It is based on the selection of stained cells through flow cytometry and the derivation of their ages at death from their sizes. If an infant mortality effect can be identified in E. coli it can be conjectured that a similar effect also exists in other unicellular organisms, both prokaryote and eukaryote.
[ { "created": "Thu, 18 Mar 2021 22:39:43 GMT", "version": "v1" } ]
2021-03-26
[ [ "Garcia-Roger", "Eduardo M.", "" ], [ "Richmond", "Peter", "" ], [ "Roehner", "Bertrand M.", "" ] ]
This manuscript proposes a significant step in our long-run investigation of infant mortality across species. Since 2016 (Berrut et al. 2016) a succession of studies (Bois et al. 2019) have traced infant mortality from organisms of high complexity (e.g. mammals) down to unicellular organisms. Infant mortality may be considered as a filtering process through which organisms with potentially lethal congenital defects are eliminated. Such defects may have many causes but here we focus particularly on mishaps resulting from non-optimal conditions in the production of proteins, enzymes and other crucial macromolecules. The statistical signature of infant mortality consists in a falling age-specific death rate. The question we address here is whether infant mortality episodes take place in bacteria in the minutes precededing or following cell division. It will be shown that while experiments carried out in the 20th century tried but failed to detect such an effect (mostly because of limited sample size), more recent observations provided consistent evidence of a sizeable mortality, with a rate of the order of 0.7 per 1,000 per hour, in the exponential growth phase of E. coli. A further crucial test will be to measure the age-specific, post-division death rate. An experiment is outlined for that purpose. It is based on the selection of stained cells through flow cytometry and the derivation of their ages at death from their sizes. If an infant mortality effect can be identified in E. coli it can be conjectured that a similar effect also exists in other unicellular organisms, both prokaryote and eukaryote.
1202.4578
Anastasia Lavrova
Anastasia I. Lavrova, Michael A. Zaks, Lutz Schimansky-Geier
Modeling rhythmic patterns in the hippocampus
10 pages, 9 figures
Phys. Rev. E (2012) 85, 041922
10.1103/PhysRevE.85.041922
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We investigate different dynamical regimes of neuronal network in the CA3 area of the hippocampus. The proposed neuronal circuit includes two fast- and two slowly-spiking cells which are interconnected by means of dynamical synapses. On the individual level, each neuron is modeled by FitzHugh-Nagumo equations. Three basic rhythmic patterns are observed: gamma-rhythm in which the fast neurons are uniformly spiking, theta-rhythm in which the individual spikes are separated by quiet epochs, and theta/gamma rhythm with repeated patches of spikes. We analyze the influence of asymmetry of synaptic strengths on the synchronization in the network and demonstrate that strong asymmetry reduces the variety of available dynamical states. The model network exhibits multistability; this results in occurrence of hysteresis in dependence on the conductances of individual connections. We show that switching between different rhythmic patterns in the network depends on the degree of synchronization between the slow cells.
[ { "created": "Tue, 21 Feb 2012 09:52:48 GMT", "version": "v1" } ]
2015-11-20
[ [ "Lavrova", "Anastasia I.", "" ], [ "Zaks", "Michael A.", "" ], [ "Schimansky-Geier", "Lutz", "" ] ]
We investigate different dynamical regimes of neuronal network in the CA3 area of the hippocampus. The proposed neuronal circuit includes two fast- and two slowly-spiking cells which are interconnected by means of dynamical synapses. On the individual level, each neuron is modeled by FitzHugh-Nagumo equations. Three basic rhythmic patterns are observed: gamma-rhythm in which the fast neurons are uniformly spiking, theta-rhythm in which the individual spikes are separated by quiet epochs, and theta/gamma rhythm with repeated patches of spikes. We analyze the influence of asymmetry of synaptic strengths on the synchronization in the network and demonstrate that strong asymmetry reduces the variety of available dynamical states. The model network exhibits multistability; this results in occurrence of hysteresis in dependence on the conductances of individual connections. We show that switching between different rhythmic patterns in the network depends on the degree of synchronization between the slow cells.
1908.07428
Gautam Kumar
Benjamin Plaster and Gautam Kumar
Data-Driven Predictive Modeling of Neuronal Dynamics using Long Short-Term Memory
35 pages, 26 figures
null
null
null
q-bio.NC cs.LG stat.ML
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Modeling brain dynamics to better understand and control complex behaviors underlying various cognitive brain functions are of interests to engineers, mathematicians, and physicists from the last several decades. With a motivation of developing computationally efficient models of brain dynamics to use in designing control-theoretic neurostimulation strategies, we have developed a novel data-driven approach in a long short-term memory (LSTM) neural network architecture to predict the temporal dynamics of complex systems over an extended long time-horizon in future. In contrast to recent LSTM-based dynamical modeling approaches that make use of multi-layer perceptrons or linear combination layers as output layers, our architecture uses a single fully connected output layer and reversed-order sequence-to-sequence mapping to improve short time-horizon prediction accuracy and to make multi-timestep predictions of dynamical behaviors. We demonstrate the efficacy of our approach in reconstructing the regular spiking to bursting dynamics exhibited by an experimentally-validated 9-dimensional Hodgkin-Huxley model of hippocampal CA1 pyramidal neurons. Through simulations, we show that our LSTM neural network can predict the multi-time scale temporal dynamics underlying various spiking patterns with reasonable accuracy. Moreover, our results show that the predictions improve with increasing predictive time-horizon in the multi-timestep deep LSTM neural network.
[ { "created": "Sun, 11 Aug 2019 17:36:46 GMT", "version": "v1" } ]
2019-08-21
[ [ "Plaster", "Benjamin", "" ], [ "Kumar", "Gautam", "" ] ]
Modeling brain dynamics to better understand and control complex behaviors underlying various cognitive brain functions are of interests to engineers, mathematicians, and physicists from the last several decades. With a motivation of developing computationally efficient models of brain dynamics to use in designing control-theoretic neurostimulation strategies, we have developed a novel data-driven approach in a long short-term memory (LSTM) neural network architecture to predict the temporal dynamics of complex systems over an extended long time-horizon in future. In contrast to recent LSTM-based dynamical modeling approaches that make use of multi-layer perceptrons or linear combination layers as output layers, our architecture uses a single fully connected output layer and reversed-order sequence-to-sequence mapping to improve short time-horizon prediction accuracy and to make multi-timestep predictions of dynamical behaviors. We demonstrate the efficacy of our approach in reconstructing the regular spiking to bursting dynamics exhibited by an experimentally-validated 9-dimensional Hodgkin-Huxley model of hippocampal CA1 pyramidal neurons. Through simulations, we show that our LSTM neural network can predict the multi-time scale temporal dynamics underlying various spiking patterns with reasonable accuracy. Moreover, our results show that the predictions improve with increasing predictive time-horizon in the multi-timestep deep LSTM neural network.
2208.01868
Alexander Browning
Alexander P Browning and Matthew J Simpson
Geometric analysis enables biological insight from complex non-identifiable models using simple surrogates
null
null
null
null
q-bio.QM
http://creativecommons.org/licenses/by/4.0/
An enduring challenge in computational biology is to balance data quality and quantity with model complexity. Tools such as identifiability analysis and information criterion have been developed to harmonise this juxtaposition, yet cannot always resolve the mismatch between available data and the granularity required in mathematical models to answer important biological questions. Often, it is only simple phenomenological models, such as the logistic and Gompertz growth models, that are identifiable from standard experimental measurements. To draw insights from the complex, non-identifiable models that incorporate key biological mechanisms of interest, we study the geometry of a map in parameter space from the complex model to a simple, identifiable, surrogate model. By studying how non-identifiable parameters in the complex model quantitatively relate to identifiable parameters in surrogate, we introduce and exploit a layer of interpretation between the set of non-identifiable parameters and the goodness-of-fit metric or likelihood studied in typical identifiability analysis. We demonstrate our approach by analysing a hierarchy of mathematical models for multicellular tumour spheroid growth. Typical data from tumour spheroid experiments are limited and noisy, and corresponding mathematical models are very often made arbitrarily complex. Our geometric approach is able to predict non-identifiabilities, subset non-identifiable parameter spaces into identifiable parameter combinations that relate to individual data features, and overall provide additional biological insight from complex non-identifiable models.
[ { "created": "Wed, 3 Aug 2022 06:37:47 GMT", "version": "v1" } ]
2022-08-04
[ [ "Browning", "Alexander P", "" ], [ "Simpson", "Matthew J", "" ] ]
An enduring challenge in computational biology is to balance data quality and quantity with model complexity. Tools such as identifiability analysis and information criterion have been developed to harmonise this juxtaposition, yet cannot always resolve the mismatch between available data and the granularity required in mathematical models to answer important biological questions. Often, it is only simple phenomenological models, such as the logistic and Gompertz growth models, that are identifiable from standard experimental measurements. To draw insights from the complex, non-identifiable models that incorporate key biological mechanisms of interest, we study the geometry of a map in parameter space from the complex model to a simple, identifiable, surrogate model. By studying how non-identifiable parameters in the complex model quantitatively relate to identifiable parameters in surrogate, we introduce and exploit a layer of interpretation between the set of non-identifiable parameters and the goodness-of-fit metric or likelihood studied in typical identifiability analysis. We demonstrate our approach by analysing a hierarchy of mathematical models for multicellular tumour spheroid growth. Typical data from tumour spheroid experiments are limited and noisy, and corresponding mathematical models are very often made arbitrarily complex. Our geometric approach is able to predict non-identifiabilities, subset non-identifiable parameter spaces into identifiable parameter combinations that relate to individual data features, and overall provide additional biological insight from complex non-identifiable models.
1002.2455
Z. Nevin Gerek
C Atilgan, Z N Gerek, S B Ozkan, A R Atilgan
Manipulation of conformational change in proteins by single residue perturbations
null
null
10.1016/j.bpj.2010.05.020
null
q-bio.BM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Using the perturbation-response scanning (PRS) technique, we study a set of 23 proteins that display a variety of conformational motions upon ligand binding (e.g. shear, hinge, allosteric). In most cases, PRS determines residues that may be manipulated to achieve the resulting conformational change. PRS reveals that for some proteins, binding induced conformational change may be achieved through the perturbation of residues scattered throughout the protein, whereas in others, perturbation of specific residues confined to a highly specific region are necessary. Correlations between the experimental and calculated atomic displacements are always better or equivalent to those obtained from a modal analysis of elastic network models. Furthermore, best correlations obtained by the latter approach do not always appear in the most collective modes. We show that success of the modal analysis depends on the lack of redundant paths that exist in the protein. PRS thus demonstrates that several relevant modes may simultaneously be induced by perturbing a single select residue on the protein. We also illustrate the biological relevance of applying PRS on the GroEL and ADK structures in detail, where we show that the residues whose perturbation lead to the precise conformational changes usually correspond to those experimentally determined to be functionally important.
[ { "created": "Fri, 12 Feb 2010 00:52:21 GMT", "version": "v1" } ]
2015-05-18
[ [ "Atilgan", "C", "" ], [ "Gerek", "Z N", "" ], [ "Ozkan", "S B", "" ], [ "Atilgan", "A R", "" ] ]
Using the perturbation-response scanning (PRS) technique, we study a set of 23 proteins that display a variety of conformational motions upon ligand binding (e.g. shear, hinge, allosteric). In most cases, PRS determines residues that may be manipulated to achieve the resulting conformational change. PRS reveals that for some proteins, binding induced conformational change may be achieved through the perturbation of residues scattered throughout the protein, whereas in others, perturbation of specific residues confined to a highly specific region are necessary. Correlations between the experimental and calculated atomic displacements are always better or equivalent to those obtained from a modal analysis of elastic network models. Furthermore, best correlations obtained by the latter approach do not always appear in the most collective modes. We show that success of the modal analysis depends on the lack of redundant paths that exist in the protein. PRS thus demonstrates that several relevant modes may simultaneously be induced by perturbing a single select residue on the protein. We also illustrate the biological relevance of applying PRS on the GroEL and ADK structures in detail, where we show that the residues whose perturbation lead to the precise conformational changes usually correspond to those experimentally determined to be functionally important.
1810.10409
Manuel P\'ajaro Di\'eguez
Manuel P\'ajaro, Irene Otero-Muras, Carlos V\'azquez and Antonio A. Alonso
Transient hysteresis and inherent stochasticity in gene regulatory networks
35 pages, 13 figures
Nature Communications (2019), volume 10, Article number: 4581
10.1038/s41467-019-12344-w
null
q-bio.MN math.DS
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Cell fate determination, the process through which cells commit to differentiated states is commonly mediated by gene regulatory motifs with mutually exclusive expression states. The classical deterministic picture for cell fate determination includes bistability and hysteresis, which enables the persistence of the acquired cellular state after withdrawal of the stimulus, ensuring a robust cellular response. However, the stochasticity inherent to gene expression dynamics is not compatible with hysteresis, since the stationary solution of the governing Chemical Master Equation does not depend on the initial conditions. In this work, we provide a quantitative description of a transient hysteresis phenomenon that reconciles experimental evidence of hysteretic behaviour in gene regulatory networks with their inherent stochasticity. Under sufficiently slow dynamics, the dependency of the non-stationary solutions on the initial state of the cells can lead to what we denote here as transient hysteresis. To quantify this phenomenon, we provide an estimate of the convergence rate to the equilibrium. We also introduce the equation of a natural landscape capturing the evolution of the system that, unlike traditional cell fate potential landscapes, is compatible with the notion of coexistence at the microscopic level.
[ { "created": "Wed, 24 Oct 2018 14:09:08 GMT", "version": "v1" }, { "created": "Tue, 18 Dec 2018 17:17:07 GMT", "version": "v2" }, { "created": "Tue, 2 Apr 2019 11:04:19 GMT", "version": "v3" }, { "created": "Tue, 8 Oct 2019 12:58:50 GMT", "version": "v4" } ]
2019-10-09
[ [ "Pájaro", "Manuel", "" ], [ "Otero-Muras", "Irene", "" ], [ "Vázquez", "Carlos", "" ], [ "Alonso", "Antonio A.", "" ] ]
Cell fate determination, the process through which cells commit to differentiated states is commonly mediated by gene regulatory motifs with mutually exclusive expression states. The classical deterministic picture for cell fate determination includes bistability and hysteresis, which enables the persistence of the acquired cellular state after withdrawal of the stimulus, ensuring a robust cellular response. However, the stochasticity inherent to gene expression dynamics is not compatible with hysteresis, since the stationary solution of the governing Chemical Master Equation does not depend on the initial conditions. In this work, we provide a quantitative description of a transient hysteresis phenomenon that reconciles experimental evidence of hysteretic behaviour in gene regulatory networks with their inherent stochasticity. Under sufficiently slow dynamics, the dependency of the non-stationary solutions on the initial state of the cells can lead to what we denote here as transient hysteresis. To quantify this phenomenon, we provide an estimate of the convergence rate to the equilibrium. We also introduce the equation of a natural landscape capturing the evolution of the system that, unlike traditional cell fate potential landscapes, is compatible with the notion of coexistence at the microscopic level.
2403.13853
Olivier Fridolin MAMINIAINA
Of Maminiaina (FOFIFA-DRZVP, IMVAVET), M. Koko, J. J. Rajaonarison, R. Razafindrakoto (IMVAVET), J. Ravaomanana (FOFIFA-DRZVP), A. D. Shannon
Valeur des tests PACE et CTB_ELISA dans le diagnostic de la peste porcine classique (PPC) et le contr{\^o}le de qualit{\'e} du vaccin correspondant {\`a} Madagascar
in French language
null
null
null
q-bio.OT
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
From 1994, we began to use ELISA (Enzyme Linked Immunosorbent Assay) in the diagnosis of PCP. This is aELISA for capturing antigens (PACE) possibly contained in the samples. The advantage of this test comes from the fact that it is completelyindependent of cell cultures. In addition, it is fast: the result can be obtained in less than 36 hours. A study of its standardizationcarried out in Australia gave a sensitivity (Se) of 99%, a specificity (Sp) close to 100% and a negative predictive value (NPV) of 99.7%. Due to its high specificity, the test gives a negative result to all true negatives, in other words, the negatives of the test correspond to thetrue negatives. A variant of the capture ELISA, the CTB-ELISA or complex trapping blocking ELISA allows the quantity of antibodies to be measureddirected against the non-structural protein, p80 (or NS3), contained in animal sera. Evaluation of the level of anti-NS3 antibodiesconstitutes an excellent assessment of the level of neutralizing antibodies because the correlation coefficient between these two types of antibodies, the firstobtained by CTB-ELISA, and the second by serum neutralization (VNT), is very high (r = 0.98).The two tests being capable, one of detecting pestiviral antigens and the other of measuring antibodies specific to each of thegroups, constitutes an excellent tool for the qualitative control of anti-CSF vaccine.
[ { "created": "Tue, 19 Mar 2024 08:46:53 GMT", "version": "v1" } ]
2024-03-22
[ [ "Maminiaina", "Of", "", "FOFIFA-DRZVP, IMVAVET" ], [ "Koko", "M.", "", "IMVAVET" ], [ "Rajaonarison", "J. J.", "", "IMVAVET" ], [ "Razafindrakoto", "R.", "", "IMVAVET" ], [ "Ravaomanana", "J.", "", "FOFIFA-DRZVP" ], ...
From 1994, we began to use ELISA (Enzyme Linked Immunosorbent Assay) in the diagnosis of PCP. This is aELISA for capturing antigens (PACE) possibly contained in the samples. The advantage of this test comes from the fact that it is completelyindependent of cell cultures. In addition, it is fast: the result can be obtained in less than 36 hours. A study of its standardizationcarried out in Australia gave a sensitivity (Se) of 99%, a specificity (Sp) close to 100% and a negative predictive value (NPV) of 99.7%. Due to its high specificity, the test gives a negative result to all true negatives, in other words, the negatives of the test correspond to thetrue negatives. A variant of the capture ELISA, the CTB-ELISA or complex trapping blocking ELISA allows the quantity of antibodies to be measureddirected against the non-structural protein, p80 (or NS3), contained in animal sera. Evaluation of the level of anti-NS3 antibodiesconstitutes an excellent assessment of the level of neutralizing antibodies because the correlation coefficient between these two types of antibodies, the firstobtained by CTB-ELISA, and the second by serum neutralization (VNT), is very high (r = 0.98).The two tests being capable, one of detecting pestiviral antigens and the other of measuring antibodies specific to each of thegroups, constitutes an excellent tool for the qualitative control of anti-CSF vaccine.
1901.07016
Katerina Kaouri Dr
Katerina Kaouri, Philip K. Maini, Paris Skourides, Neophytos Christodoulou, S. Jonathan Chapman
A simple mechanochemical model for calcium signalling in embryonic epithelial cells
37 pages (this is the revised version after being accepted with minor revisions at the Journal of Mathematical Biology)
null
null
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Calcium (Ca2+) signalling is one of the most important mechanisms of information propagation in the body. In embryogenesis the interplay between Ca2+ signalling and mechanical forces is critical to the healthy development of an embryo but poorly understood. Several types of embryonic cells exhibit calcium-induced contractions and many experiments indicate that Ca2+ signals and contractions are coupled via a two-way mechanochemical coupling. We present a new analysis of experimental data that supports the existence of this coupling during Apical Constriction in Neural Tube Closure. We then propose a mechanochemical model, building on early models that couple Ca2+ dynamics to cell mechanics and replace the bistable Ca2+ release with modern, experimentally validated Ca2+ dynamics. We assume that the cell is a linear viscoelastic material and model the Ca2+-induced contraction stress with a Hill function saturating at high Ca2+ levels. We also express, for the first time, the "stretch-activation" Ca2+ flux in the early mechanochemical models as a bottom-up contribution from stretch-sensitive Ca2+ channels on the cell membrane. We reduce the model to three ordinary differential equations and analyse its bifurcation structure semi-analytically as the $IP_3$ concentration, and the "strength" of stretch activation, $\lambda$ vary. The Ca2+ system ($\lambda=0$, no mechanics) exhibits relaxation oscillations for a certain range of $IP_3$ values. As $\lambda$ is increased the range of $IP_3$ values decreases, the oscillation amplitude decreases and the frequency increases. Oscillations vanish for a sufficiently high value of $\lambda$. These results agree with experiments in embryonic cells that also link the loss of Ca2+ oscillations to embryo abnormalities. The work addresses a very important and understudied question on the coupling of chemical and mechanical signalling in embryogenesis.
[ { "created": "Mon, 21 Jan 2019 18:08:11 GMT", "version": "v1" } ]
2019-01-23
[ [ "Kaouri", "Katerina", "" ], [ "Maini", "Philip K.", "" ], [ "Skourides", "Paris", "" ], [ "Christodoulou", "Neophytos", "" ], [ "Chapman", "S. Jonathan", "" ] ]
Calcium (Ca2+) signalling is one of the most important mechanisms of information propagation in the body. In embryogenesis the interplay between Ca2+ signalling and mechanical forces is critical to the healthy development of an embryo but poorly understood. Several types of embryonic cells exhibit calcium-induced contractions and many experiments indicate that Ca2+ signals and contractions are coupled via a two-way mechanochemical coupling. We present a new analysis of experimental data that supports the existence of this coupling during Apical Constriction in Neural Tube Closure. We then propose a mechanochemical model, building on early models that couple Ca2+ dynamics to cell mechanics and replace the bistable Ca2+ release with modern, experimentally validated Ca2+ dynamics. We assume that the cell is a linear viscoelastic material and model the Ca2+-induced contraction stress with a Hill function saturating at high Ca2+ levels. We also express, for the first time, the "stretch-activation" Ca2+ flux in the early mechanochemical models as a bottom-up contribution from stretch-sensitive Ca2+ channels on the cell membrane. We reduce the model to three ordinary differential equations and analyse its bifurcation structure semi-analytically as the $IP_3$ concentration, and the "strength" of stretch activation, $\lambda$ vary. The Ca2+ system ($\lambda=0$, no mechanics) exhibits relaxation oscillations for a certain range of $IP_3$ values. As $\lambda$ is increased the range of $IP_3$ values decreases, the oscillation amplitude decreases and the frequency increases. Oscillations vanish for a sufficiently high value of $\lambda$. These results agree with experiments in embryonic cells that also link the loss of Ca2+ oscillations to embryo abnormalities. The work addresses a very important and understudied question on the coupling of chemical and mechanical signalling in embryogenesis.
2301.07016
Vladimir Aksyuk
V.A. Aksyuk
Consciousness is learning: predictive processing systems that learn by binding may perceive themselves as conscious
This version adds 5 figures (new) and only modifies the text to reference the figures
null
null
null
q-bio.NC cs.AI cs.LG cs.NE cs.RO
http://creativecommons.org/licenses/by/4.0/
Machine learning algorithms have achieved superhuman performance in specific complex domains. Yet learning online from few examples and efficiently generalizing across domains remains elusive. In humans such learning proceeds via declarative memory formation and is closely associated with consciousness. Predictive processing has been advanced as a principled Bayesian inference framework for understanding the cortex as implementing deep generative perceptual models for both sensory data and action control. However, predictive processing offers little direct insight into fast compositional learning or the mystery of consciousness. Here we propose that through implementing online learning by hierarchical binding of unpredicted inferences, a predictive processing system may flexibly generalize in novel situations by forming working memories for perceptions and actions from single examples, which can become short- and long-term declarative memories retrievable by associative recall. We argue that the contents of such working memories are unified yet differentiated, can be maintained by selective attention and are consistent with observations of masking, postdictive perceptual integration, and other paradigm cases of consciousness research. We describe how the brain could have evolved to use perceptual value prediction for reinforcement learning of complex action policies simultaneously implementing multiple survival and reproduction strategies. 'Conscious experience' is how such a learning system perceptually represents its own functioning, suggesting an answer to the meta problem of consciousness. Our proposal naturally unifies feature binding, recurrent processing, and predictive processing with global workspace, and, to a lesser extent, the higher order theories of consciousness.
[ { "created": "Tue, 17 Jan 2023 17:06:48 GMT", "version": "v1" }, { "created": "Mon, 17 Apr 2023 22:23:05 GMT", "version": "v2" } ]
2023-04-19
[ [ "Aksyuk", "V. A.", "" ] ]
Machine learning algorithms have achieved superhuman performance in specific complex domains. Yet learning online from few examples and efficiently generalizing across domains remains elusive. In humans such learning proceeds via declarative memory formation and is closely associated with consciousness. Predictive processing has been advanced as a principled Bayesian inference framework for understanding the cortex as implementing deep generative perceptual models for both sensory data and action control. However, predictive processing offers little direct insight into fast compositional learning or the mystery of consciousness. Here we propose that through implementing online learning by hierarchical binding of unpredicted inferences, a predictive processing system may flexibly generalize in novel situations by forming working memories for perceptions and actions from single examples, which can become short- and long-term declarative memories retrievable by associative recall. We argue that the contents of such working memories are unified yet differentiated, can be maintained by selective attention and are consistent with observations of masking, postdictive perceptual integration, and other paradigm cases of consciousness research. We describe how the brain could have evolved to use perceptual value prediction for reinforcement learning of complex action policies simultaneously implementing multiple survival and reproduction strategies. 'Conscious experience' is how such a learning system perceptually represents its own functioning, suggesting an answer to the meta problem of consciousness. Our proposal naturally unifies feature binding, recurrent processing, and predictive processing with global workspace, and, to a lesser extent, the higher order theories of consciousness.
1411.7364
Gerardo Chowell
Gerardo Chowell, C\'ecile Viboud, James M. Hyman, Lone Simonsen
The Western Africa Ebola virus disease epidemic exhibits both global exponential and local polynomial growth rates
Published version in PLOS Currents Outbreaks. Jan 21st. 2015 http://currents.plos.org/outbreaks/article/the-western-africa-ebola-virus-disease-epidemic-exhibits-both-global-exponential-and-local-polynomial-growth-rates/
PLOS Currents Outbreaks. 2015 Jan 21. Edition 1
null
null
q-bio.PE
http://creativecommons.org/licenses/by/3.0/
Background: While many infectious disease epidemics are initially characterized by an exponential growth in time, we show that district-level Ebola virus disease (EVD) outbreaks in West Africa follow slower polynomial-based growth kinetics over several generations of the disease. Methods: We analyzed epidemic growth patterns at three different spatial scales (regional, national, and subnational) of the Ebola virus disease epidemic in Guinea, Sierra Leone and Liberia by compiling publicly available weekly time series of reported EVD case numbers from the patient database available from the World Health Organization website for the period 05-Jan to 17-Dec 2014. Results: We found significant differences in the growth patterns of EVD cases at the scale of the country, district, and other subnational administrative divisions. The national cumulative curves of EVD cases in Guinea, Sierra Leone, and Liberia show periods of approximate exponential growth. In contrast, local epidemics are asynchronous and exhibit slow growth patterns during 3 or more EVD generations, which can be better approximated by a polynomial than an exponential. Conclusions: The slower than expected growth pattern of local EVD outbreaks could result from a variety of factors, including behavior changes, success of control interventions, or intrinsic features of the disease such as a high level of clustering. Quantifying the contribution of each of these factors could help refine estimates of final epidemic size and the relative impact of different mitigation efforts in current and future EVD outbreaks.
[ { "created": "Wed, 26 Nov 2014 20:42:03 GMT", "version": "v1" }, { "created": "Sun, 30 Nov 2014 17:57:34 GMT", "version": "v2" }, { "created": "Tue, 27 Jan 2015 15:37:59 GMT", "version": "v3" } ]
2015-01-28
[ [ "Chowell", "Gerardo", "" ], [ "Viboud", "Cécile", "" ], [ "Hyman", "James M.", "" ], [ "Simonsen", "Lone", "" ] ]
Background: While many infectious disease epidemics are initially characterized by an exponential growth in time, we show that district-level Ebola virus disease (EVD) outbreaks in West Africa follow slower polynomial-based growth kinetics over several generations of the disease. Methods: We analyzed epidemic growth patterns at three different spatial scales (regional, national, and subnational) of the Ebola virus disease epidemic in Guinea, Sierra Leone and Liberia by compiling publicly available weekly time series of reported EVD case numbers from the patient database available from the World Health Organization website for the period 05-Jan to 17-Dec 2014. Results: We found significant differences in the growth patterns of EVD cases at the scale of the country, district, and other subnational administrative divisions. The national cumulative curves of EVD cases in Guinea, Sierra Leone, and Liberia show periods of approximate exponential growth. In contrast, local epidemics are asynchronous and exhibit slow growth patterns during 3 or more EVD generations, which can be better approximated by a polynomial than an exponential. Conclusions: The slower than expected growth pattern of local EVD outbreaks could result from a variety of factors, including behavior changes, success of control interventions, or intrinsic features of the disease such as a high level of clustering. Quantifying the contribution of each of these factors could help refine estimates of final epidemic size and the relative impact of different mitigation efforts in current and future EVD outbreaks.
1506.03290
Jayajit Das
Jayajit Das
Limiting energy dissipation induces glassy kinetics in single cell high precision responses
Revised version. In press in Biophysical Journal
null
10.1016/j.bpj.2016.01.022
null
q-bio.CB cond-mat.stat-mech
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Single cells often generate precise responses by involving dissipative out-of-thermodynamic equilibrium processes in signaling networks. The available free energy to fuel these processes could become limited depending on the metabolic state of an individual cell. How does limiting dissipation affect the kinetics of high precision responses in single cells? I address this question in the context of a kinetic proofreading scheme used in a simple model of early time T cell signaling. I show using exact analytical calculations and numerical simulations that limiting dissipation qualitatively changes the kinetics in single cells marked by emergence of slow kinetics, large cell-to-cell variations of copy numbers, temporally correlated stochastic events (dynamic facilitation), and, ergodicity breaking. Thus, constraints in energy dissipation, in addition to negatively affecting ligand discrimination in T cells, can create a fundamental difficulty in interpreting single cell kinetics from cell population level results.
[ { "created": "Wed, 10 Jun 2015 13:27:09 GMT", "version": "v1" }, { "created": "Fri, 29 Jan 2016 00:05:59 GMT", "version": "v2" } ]
2016-04-20
[ [ "Das", "Jayajit", "" ] ]
Single cells often generate precise responses by involving dissipative out-of-thermodynamic equilibrium processes in signaling networks. The available free energy to fuel these processes could become limited depending on the metabolic state of an individual cell. How does limiting dissipation affect the kinetics of high precision responses in single cells? I address this question in the context of a kinetic proofreading scheme used in a simple model of early time T cell signaling. I show using exact analytical calculations and numerical simulations that limiting dissipation qualitatively changes the kinetics in single cells marked by emergence of slow kinetics, large cell-to-cell variations of copy numbers, temporally correlated stochastic events (dynamic facilitation), and, ergodicity breaking. Thus, constraints in energy dissipation, in addition to negatively affecting ligand discrimination in T cells, can create a fundamental difficulty in interpreting single cell kinetics from cell population level results.
q-bio/0402039
Sagar Khare
Jainab Kahtun, Sagar D. Khare, Nikolay V. Dokholyan
Can contact potentials reliably predict stability of proteins?
28 pages, 7 figs, 2 tables
J. Mol. Biol. 336: 1223-1238 (2004)
null
null
q-bio.BM
null
The simplest approximation of interaction potential between amino-acids in proteins is the contact potential, which defines the effective free energy of a protein conformation by a set of amino acid contacts formed in this conformation. Finding a contact potential capable of predicting free energies of protein states across a variety of protein families will aid protein folding and engineering in silico on a computationally tractable time-scale. We test the ability of contact potentials to accurately and transferably (across various protein families) predict stability changes of proteins upon mutations. We develop a new methodology to determine the contact potentials in proteins from experimental measurements of changes in protein thermodynamic stabilities (ddG) upon mutations. We apply our methodology to derive sets of contact interaction parameters for a hierarchy of interaction models including solvation and multi-body contact parameters. We test how well our models reproduce experimental measurements by statistical tests. We evaluate the maximum accuracy of predictions obtained by using contact potentials and the correlation between parameters derived from different data-sets of experimental ddG values. We argue that it is impossible to reach experimental accuracy and derive fully transferable contact parameters using the contact models of potentials. However, contact parameters can yield reliable predictions of ddG for datasets of mutations confined to specific amino-acid positions in the sequence of a single protein.
[ { "created": "Thu, 19 Feb 2004 21:58:20 GMT", "version": "v1" } ]
2007-05-23
[ [ "Kahtun", "Jainab", "" ], [ "Khare", "Sagar D.", "" ], [ "Dokholyan", "Nikolay V.", "" ] ]
The simplest approximation of interaction potential between amino-acids in proteins is the contact potential, which defines the effective free energy of a protein conformation by a set of amino acid contacts formed in this conformation. Finding a contact potential capable of predicting free energies of protein states across a variety of protein families will aid protein folding and engineering in silico on a computationally tractable time-scale. We test the ability of contact potentials to accurately and transferably (across various protein families) predict stability changes of proteins upon mutations. We develop a new methodology to determine the contact potentials in proteins from experimental measurements of changes in protein thermodynamic stabilities (ddG) upon mutations. We apply our methodology to derive sets of contact interaction parameters for a hierarchy of interaction models including solvation and multi-body contact parameters. We test how well our models reproduce experimental measurements by statistical tests. We evaluate the maximum accuracy of predictions obtained by using contact potentials and the correlation between parameters derived from different data-sets of experimental ddG values. We argue that it is impossible to reach experimental accuracy and derive fully transferable contact parameters using the contact models of potentials. However, contact parameters can yield reliable predictions of ddG for datasets of mutations confined to specific amino-acid positions in the sequence of a single protein.
1410.0557
Rodrigo Echeveste
Rodrigo Echeveste and Claudius Gros
Two-trace model for spike-timing-dependent synaptic plasticity
Neural Computation (in press)
Neural Computation 2015, 27(3), 672-698
10.1162/NECO_a_00707
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We present an effective model for timing-dependent synaptic plasticity (STDP) in terms of two interacting traces, corresponding to the fraction of activated NMDA receptors and the Ca2+ concentration in the dendritic spine of the postsynaptic neuron. This model intends to bridge the worlds of existing simplistic phenomenological rules and highly detailed models, constituting thus a practical tool for the study of the interplay between neural activity and synaptic plasticity in extended spiking neural networks. For isolated pairs of pre- and postsynaptic spikes the standard pairwise STDP rule is reproduced, with appropriate parameters determining the respective weights and time scales for the causal and the anti-causal contributions. The model contains otherwise only three free parameters which can be adjusted to reproduce triplet nonlinearities in both hippocampal culture and cortical slices. We also investigate the transition from time-dependent to rate-dependent plasticity occurring for both correlated and uncorrelated spike patterns.
[ { "created": "Thu, 2 Oct 2014 14:11:20 GMT", "version": "v1" } ]
2015-02-26
[ [ "Echeveste", "Rodrigo", "" ], [ "Gros", "Claudius", "" ] ]
We present an effective model for timing-dependent synaptic plasticity (STDP) in terms of two interacting traces, corresponding to the fraction of activated NMDA receptors and the Ca2+ concentration in the dendritic spine of the postsynaptic neuron. This model intends to bridge the worlds of existing simplistic phenomenological rules and highly detailed models, constituting thus a practical tool for the study of the interplay between neural activity and synaptic plasticity in extended spiking neural networks. For isolated pairs of pre- and postsynaptic spikes the standard pairwise STDP rule is reproduced, with appropriate parameters determining the respective weights and time scales for the causal and the anti-causal contributions. The model contains otherwise only three free parameters which can be adjusted to reproduce triplet nonlinearities in both hippocampal culture and cortical slices. We also investigate the transition from time-dependent to rate-dependent plasticity occurring for both correlated and uncorrelated spike patterns.
1812.09203
Xi Chen
Xi Chen, Jin Xie, Qingcong Yuan
Pan-Cancer Epigenetic Biomarker Selection from Blood Samples Using SAS
9 pages, MWSUG 2018
MWSUG 2018 conference proceedings
null
HS-45
q-bio.GN stat.ME
http://creativecommons.org/publicdomain/zero/1.0/
A key focus in current cancer research is the discovery of cancer biomarkers that allow earlier detection with high accuracy and lower costs for both patients and hospitals. Blood samples have long been used as a health status indicator, but DNA methylation signatures in blood have not been fully appreciated in cancer research. Historically, analysis of cancer has been conducted directly with the patient's tumor or related tissues. Such analyses allow physicians to diagnose a patient's health and cancer status; however, physicians must observe certain symptoms that prompt them to use biopsies or imaging to verify the diagnosis. This is a post-hoc approach. Our study will focus on epigenetic information for cancer detection, specifically information about DNA methylation in human peripheral blood samples in cancer discordant monozygotic twin-pairs. This information might be able to help us detect cancer much earlier, before the first symptom appears. Several other types of epigenetic data can also be used, but here we demonstrate the potential of blood DNA methylation data as a biomarker for pan-cancer using SAS 9.3 and SAS EM. We report that 55 methylation CpG sites measurable in blood samples can be used as biomarkers for early cancer detection and classification.
[ { "created": "Fri, 21 Dec 2018 15:42:00 GMT", "version": "v1" } ]
2018-12-24
[ [ "Chen", "Xi", "" ], [ "Xie", "Jin", "" ], [ "Yuan", "Qingcong", "" ] ]
A key focus in current cancer research is the discovery of cancer biomarkers that allow earlier detection with high accuracy and lower costs for both patients and hospitals. Blood samples have long been used as a health status indicator, but DNA methylation signatures in blood have not been fully appreciated in cancer research. Historically, analysis of cancer has been conducted directly with the patient's tumor or related tissues. Such analyses allow physicians to diagnose a patient's health and cancer status; however, physicians must observe certain symptoms that prompt them to use biopsies or imaging to verify the diagnosis. This is a post-hoc approach. Our study will focus on epigenetic information for cancer detection, specifically information about DNA methylation in human peripheral blood samples in cancer discordant monozygotic twin-pairs. This information might be able to help us detect cancer much earlier, before the first symptom appears. Several other types of epigenetic data can also be used, but here we demonstrate the potential of blood DNA methylation data as a biomarker for pan-cancer using SAS 9.3 and SAS EM. We report that 55 methylation CpG sites measurable in blood samples can be used as biomarkers for early cancer detection and classification.
2210.02273
Nathaniel Braman
Nathaniel Braman, Prateek Prasanna, Kaustav Bera, Mehdi Alilou, Mohammadhadi Khorrami, Patrick Leo, Maryam Etesami, Manasa Vulchi, Paulette Turk, Amit Gupta, Prantesh Jain, Pingfu Fu, Nathan Pennell, Vamsidhar Velcheti, Jame Abraham, Donna Plecha and Anant Madabhushi
Novel Radiomic Measurements of Tumor- Associated Vasculature Morphology on Clinical Imaging as a Biomarker of Treatment Response in Multiple Cancers
This manuscript has been accepted for publication in Clinical Cancer Research, which is published by the American Association for Cancer Research
null
10.1158/1078-0432.CCR-21-4148
null
q-bio.QM cs.CV q-bio.TO
http://creativecommons.org/licenses/by/4.0/
Purpose: Tumor-associated vasculature differs from healthy blood vessels by its chaotic architecture and twistedness, which promotes treatment resistance. Measurable differences in these attributes may help stratify patients by likely benefit of systemic therapy (e.g. chemotherapy). In this work, we present a new category of radiomic biomarkers called quantitative tumor-associated vasculature (QuanTAV) features, and demonstrate their ability to predict response and survival across multiple cancers, imaging modalities, and treatment regimens. Experimental Design: We segmented tumor vessels and computed mathematical measurements of twistedness and organization on routine pre-treatment radiology (CT or contrast-enhanced MRI) from 558 patients, who received one of four first-line chemotherapy-based therapeutic intervention strategies for breast (n=371) or non-small cell lung cancer (NSCLC, n=187). Results: Across 4 chemotherapy-based treatment strategies, classifiers of QuanTAV measurements significantly (p<.05) predicted response in held out testing cohorts alone (AUC=0.63-0.71) and increased AUC by 0.06-0.12 when added to models of significant clinical variables alone. QuanTAV risk scores were prognostic of recurrence free survival in treatment cohorts chemotherapy for breast cancer (p=0.002, HR=1.25, 95% CI 1.08-1.44, C-index=.66) and chemoradiation for NSCLC (p=0.039, HR=1.28, 95% CI 1.01-1.62, C-index=0.66). Categorical QuanTAV risk groups were independently prognostic among all treatment groups, including NSCLC patients receiving chemotherapy (p=0.034, HR=2.29, 95% CI 1.07-4.94, C-index=0.62). Conclusions: Across these domains, we observed an association of vascular morphology on radiology with treatment outcome. Our findings suggest the potential of tumor-associated vasculature shape and structure as a prognostic and predictive biomarker for multiple cancers and treatments.
[ { "created": "Wed, 5 Oct 2022 13:58:27 GMT", "version": "v1" } ]
2022-10-06
[ [ "Braman", "Nathaniel", "" ], [ "Prasanna", "Prateek", "" ], [ "Bera", "Kaustav", "" ], [ "Alilou", "Mehdi", "" ], [ "Khorrami", "Mohammadhadi", "" ], [ "Leo", "Patrick", "" ], [ "Etesami", "Maryam", "" ],...
Purpose: Tumor-associated vasculature differs from healthy blood vessels by its chaotic architecture and twistedness, which promotes treatment resistance. Measurable differences in these attributes may help stratify patients by likely benefit of systemic therapy (e.g. chemotherapy). In this work, we present a new category of radiomic biomarkers called quantitative tumor-associated vasculature (QuanTAV) features, and demonstrate their ability to predict response and survival across multiple cancers, imaging modalities, and treatment regimens. Experimental Design: We segmented tumor vessels and computed mathematical measurements of twistedness and organization on routine pre-treatment radiology (CT or contrast-enhanced MRI) from 558 patients, who received one of four first-line chemotherapy-based therapeutic intervention strategies for breast (n=371) or non-small cell lung cancer (NSCLC, n=187). Results: Across 4 chemotherapy-based treatment strategies, classifiers of QuanTAV measurements significantly (p<.05) predicted response in held out testing cohorts alone (AUC=0.63-0.71) and increased AUC by 0.06-0.12 when added to models of significant clinical variables alone. QuanTAV risk scores were prognostic of recurrence free survival in treatment cohorts chemotherapy for breast cancer (p=0.002, HR=1.25, 95% CI 1.08-1.44, C-index=.66) and chemoradiation for NSCLC (p=0.039, HR=1.28, 95% CI 1.01-1.62, C-index=0.66). Categorical QuanTAV risk groups were independently prognostic among all treatment groups, including NSCLC patients receiving chemotherapy (p=0.034, HR=2.29, 95% CI 1.07-4.94, C-index=0.62). Conclusions: Across these domains, we observed an association of vascular morphology on radiology with treatment outcome. Our findings suggest the potential of tumor-associated vasculature shape and structure as a prognostic and predictive biomarker for multiple cancers and treatments.
2005.06552
Gary Mamon
Gary A. Mamon (Institut d'Astrophysique de Paris (UMR 7095: CNRS & Sorbonne Universit\'e))
Regional analysis of COVID-19 in France from fit of hospital data with different evolutionary models
21 pages. Comments welcome. This version 4 has a different title in the PDF to match that of arXiv, and a retouch of the last sentence of the last section and of the Acknowledgements
null
null
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The SIR evolutionary model predicts too sharp a decrease of the fractions of people infected with COVID-19 in France after the start of the national lockdown, compared to what is observed. I fit the daily hospital data: arrivals in regular and critical care units, releases and deaths, using extended SEIR models. These involve ratios of evolutionary timescales to branching fractions, assumed uniform throughout a country, and the basic reproduction number, $R_0$, before and during the national lockdown, for each region of France. The joint-region Bayesian analysis allows precise evaluations of the time/fraction ratios and pre-hospitalized fractions. The hospital data are well fit by the models, except the arrivals in critical care, which decrease faster than predicted, indicating better treatment over time. Averaged over France, the analysis yields $R_0$= 3.4$\pm$0.1 before the lockdown and 0.65$\pm$0.04 (90% c.l.) during the lockdown, with small regional variations. On 11 May 2020, the Infection Fatality Rate in France was 4 $\pm$1% (90% c.l.), while the Feverish vastly outnumber the Asymptomatic, contrary to the early phases. Without the lockdown nor social distancing, over 2 million deaths from COVID-19 would have occurred throughout France, while a lockdown that would have been enforced 10 days earlier would have led to less than 1000 deaths. The fraction of immunized people reached a plateau below 1% throughout France (3% in Paris) by late April 2020 (95% c.l.), suggesting a lack of herd immunity. The widespread availability of face masks on 11 May, when the lockdown was partially lifted, should keep $R_0$ below unity if at least 46% of the population wear them outside their home. Otherwise, without enhanced other social distancing, a second wave is inevitable and cause the number of deaths to triple between early May and October (if $R_0$=1.2) or even late June (if $R_0$=2).
[ { "created": "Wed, 13 May 2020 19:42:14 GMT", "version": "v1" }, { "created": "Fri, 15 May 2020 17:20:15 GMT", "version": "v2" }, { "created": "Mon, 25 May 2020 17:54:00 GMT", "version": "v3" }, { "created": "Tue, 16 Jun 2020 11:05:03 GMT", "version": "v4" } ]
2020-06-17
[ [ "Mamon", "Gary A.", "", "Institut d'Astrophysique de Paris" ] ]
The SIR evolutionary model predicts too sharp a decrease of the fractions of people infected with COVID-19 in France after the start of the national lockdown, compared to what is observed. I fit the daily hospital data: arrivals in regular and critical care units, releases and deaths, using extended SEIR models. These involve ratios of evolutionary timescales to branching fractions, assumed uniform throughout a country, and the basic reproduction number, $R_0$, before and during the national lockdown, for each region of France. The joint-region Bayesian analysis allows precise evaluations of the time/fraction ratios and pre-hospitalized fractions. The hospital data are well fit by the models, except the arrivals in critical care, which decrease faster than predicted, indicating better treatment over time. Averaged over France, the analysis yields $R_0$= 3.4$\pm$0.1 before the lockdown and 0.65$\pm$0.04 (90% c.l.) during the lockdown, with small regional variations. On 11 May 2020, the Infection Fatality Rate in France was 4 $\pm$1% (90% c.l.), while the Feverish vastly outnumber the Asymptomatic, contrary to the early phases. Without the lockdown nor social distancing, over 2 million deaths from COVID-19 would have occurred throughout France, while a lockdown that would have been enforced 10 days earlier would have led to less than 1000 deaths. The fraction of immunized people reached a plateau below 1% throughout France (3% in Paris) by late April 2020 (95% c.l.), suggesting a lack of herd immunity. The widespread availability of face masks on 11 May, when the lockdown was partially lifted, should keep $R_0$ below unity if at least 46% of the population wear them outside their home. Otherwise, without enhanced other social distancing, a second wave is inevitable and cause the number of deaths to triple between early May and October (if $R_0$=1.2) or even late June (if $R_0$=2).
2012.00675
Tananun Songdechakraiwut
Tananun Songdechakraiwut and Moo K. Chung
Topological Learning for Brain Networks
31 pages, 14 figures, 4 tables, code at https://github.com/topolearn
Ann. Appl. Stat. 17(1): 403-433 (March 2023)
10.1214/22-AOAS1633
null
q-bio.NC cs.CG
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
This paper proposes a novel topological learning framework that integrates networks of different sizes and topology through persistent homology. Such challenging task is made possible through the introduction of a computationally efficient topological loss. The use of the proposed loss bypasses the intrinsic computational bottleneck associated with matching networks. We validate the method in extensive statistical simulations to assess its effectiveness when discriminating networks with different topology. The method is further demonstrated in a twin brain imaging study where we determine if brain networks are genetically heritable. The challenge here is due to the difficulty of overlaying the topologically different functional brain networks obtained from resting-state functional MRI onto the template structural brain network obtained through diffusion MRI.
[ { "created": "Wed, 25 Nov 2020 18:46:36 GMT", "version": "v1" }, { "created": "Wed, 16 Dec 2020 05:51:52 GMT", "version": "v2" }, { "created": "Tue, 30 Nov 2021 21:33:38 GMT", "version": "v3" }, { "created": "Fri, 27 May 2022 19:00:08 GMT", "version": "v4" }, { "c...
2023-01-30
[ [ "Songdechakraiwut", "Tananun", "" ], [ "Chung", "Moo K.", "" ] ]
This paper proposes a novel topological learning framework that integrates networks of different sizes and topology through persistent homology. Such challenging task is made possible through the introduction of a computationally efficient topological loss. The use of the proposed loss bypasses the intrinsic computational bottleneck associated with matching networks. We validate the method in extensive statistical simulations to assess its effectiveness when discriminating networks with different topology. The method is further demonstrated in a twin brain imaging study where we determine if brain networks are genetically heritable. The challenge here is due to the difficulty of overlaying the topologically different functional brain networks obtained from resting-state functional MRI onto the template structural brain network obtained through diffusion MRI.
1903.10042
Jonathan Karr
Paul F. Lang, Yassmine Chebaro, Xiaoyue Zheng, John A. P. Sekar, Bilal Shaikh, Darren A. Natale and Jonathan R. Karr
BpForms and BcForms: Tools for concretely describing non-canonical polymers and complexes to facilitate comprehensive biochemical networks
21 pages, 4 figures, 2 boxes
null
10.1186/s13059-020-02025-z
null
q-bio.BM
http://creativecommons.org/licenses/by/4.0/
Although non-canonical residues, caps, crosslinks, and nicks play an important role in the function of many DNA, RNA, proteins, and complexes, we do not fully understand how networks of non-canonical macromolecules generate behavior. One barrier is our limited formats, such as IUPAC, for abstractly describing macromolecules. To overcome this barrier, we developed BpForms and BcForms, a toolkit of ontologies, grammars, and software for abstracting the primary structure of polymers and complexes as combinations of residues, caps, crosslinks, and nicks. The toolkit can help quality control, exchange, and integrate information about the primary structure of macromolecules into fine-grained global networks of intracellular biochemistry.
[ { "created": "Sun, 24 Mar 2019 18:59:53 GMT", "version": "v1" }, { "created": "Tue, 3 Sep 2019 14:23:05 GMT", "version": "v2" } ]
2021-06-04
[ [ "Lang", "Paul F.", "" ], [ "Chebaro", "Yassmine", "" ], [ "Zheng", "Xiaoyue", "" ], [ "Sekar", "John A. P.", "" ], [ "Shaikh", "Bilal", "" ], [ "Natale", "Darren A.", "" ], [ "Karr", "Jonathan R.", "" ] ]
Although non-canonical residues, caps, crosslinks, and nicks play an important role in the function of many DNA, RNA, proteins, and complexes, we do not fully understand how networks of non-canonical macromolecules generate behavior. One barrier is our limited formats, such as IUPAC, for abstractly describing macromolecules. To overcome this barrier, we developed BpForms and BcForms, a toolkit of ontologies, grammars, and software for abstracting the primary structure of polymers and complexes as combinations of residues, caps, crosslinks, and nicks. The toolkit can help quality control, exchange, and integrate information about the primary structure of macromolecules into fine-grained global networks of intracellular biochemistry.
2206.03950
Youzhi Qu
Youzhi Qu, Xinyao Jian, Wenxin Che, Penghui Du, Kai Fu, Quanying Liu
Transfer learning to decode brain states reflecting the relationship between cognitive tasks
null
null
null
null
q-bio.NC cs.AI cs.LG
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Transfer learning improves the performance of the target task by leveraging the data of a specific source task: the closer the relationship between the source and the target tasks, the greater the performance improvement by transfer learning. In neuroscience, the relationship between cognitive tasks is usually represented by similarity of activated brain regions or neural representation. However, no study has linked transfer learning and neuroscience to reveal the relationship between cognitive tasks. In this study, we propose a transfer learning framework to reflect the relationship between cognitive tasks, and compare the task relations reflected by transfer learning and by the overlaps of brain regions (e.g., neurosynth). Our results of transfer learning create cognitive taskonomy to reflect the relationship between cognitive tasks which is well in line with the task relations derived from neurosynth. Transfer learning performs better in task decoding with fMRI data if the source and target cognitive tasks activate similar brain regions. Our study uncovers the relationship of multiple cognitive tasks and provides guidance for source task selection in transfer learning for neural decoding based on small-sample data.
[ { "created": "Tue, 7 Jun 2022 09:39:47 GMT", "version": "v1" }, { "created": "Tue, 14 Jun 2022 13:25:10 GMT", "version": "v2" }, { "created": "Tue, 30 Aug 2022 06:50:03 GMT", "version": "v3" } ]
2022-08-31
[ [ "Qu", "Youzhi", "" ], [ "Jian", "Xinyao", "" ], [ "Che", "Wenxin", "" ], [ "Du", "Penghui", "" ], [ "Fu", "Kai", "" ], [ "Liu", "Quanying", "" ] ]
Transfer learning improves the performance of the target task by leveraging the data of a specific source task: the closer the relationship between the source and the target tasks, the greater the performance improvement by transfer learning. In neuroscience, the relationship between cognitive tasks is usually represented by similarity of activated brain regions or neural representation. However, no study has linked transfer learning and neuroscience to reveal the relationship between cognitive tasks. In this study, we propose a transfer learning framework to reflect the relationship between cognitive tasks, and compare the task relations reflected by transfer learning and by the overlaps of brain regions (e.g., neurosynth). Our results of transfer learning create cognitive taskonomy to reflect the relationship between cognitive tasks which is well in line with the task relations derived from neurosynth. Transfer learning performs better in task decoding with fMRI data if the source and target cognitive tasks activate similar brain regions. Our study uncovers the relationship of multiple cognitive tasks and provides guidance for source task selection in transfer learning for neural decoding based on small-sample data.
1605.09020
Katy Rubin
Katy J. Rubin and Peter Sollich
Michaelis-Menten dynamics in protein subnetworks
null
null
10.1063/1.4947478
null
q-bio.MN physics.chem-ph q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
To understand the behaviour of complex systems it is often necessary to use models that describe the dynamics of subnetworks. It has previously been established using projection methods that such subnetwork dynamics generically involves memory of the past, and that the memory functions can be calculated explicitly for biochemical reaction networks made up of unary and binary reactions. However, many established network models involve also Michaelis-Menten kinetics, to describe e.g. enzymatic reactions. We show that the projection approach to subnetwork dynamics can be extended to such networks, thus significantly broadening its range of applicability. To derive the extension we construct a larger network that represents enzymes and enzyme complexes explicitly, obtain the projected equations, and finally take the limit of fast enzyme reactions that gives back Michaelis-Menten kinetics. The crucial point is that this limit can be taken in closed form. The outcome is a simple procedure that allows one to obtain a description of subnetwork dynamics, including memory functions, starting directly from any given network of unary, binary and Michaelis-Menten reactions. Numerical tests show that this closed form enzyme elimination gives a much more accurate description of the subnetwork dynamics than the simpler method that represents enzymes explicitly, and is also more efficient computationally.
[ { "created": "Sun, 29 May 2016 16:06:41 GMT", "version": "v1" } ]
2016-06-08
[ [ "Rubin", "Katy J.", "" ], [ "Sollich", "Peter", "" ] ]
To understand the behaviour of complex systems it is often necessary to use models that describe the dynamics of subnetworks. It has previously been established using projection methods that such subnetwork dynamics generically involves memory of the past, and that the memory functions can be calculated explicitly for biochemical reaction networks made up of unary and binary reactions. However, many established network models involve also Michaelis-Menten kinetics, to describe e.g. enzymatic reactions. We show that the projection approach to subnetwork dynamics can be extended to such networks, thus significantly broadening its range of applicability. To derive the extension we construct a larger network that represents enzymes and enzyme complexes explicitly, obtain the projected equations, and finally take the limit of fast enzyme reactions that gives back Michaelis-Menten kinetics. The crucial point is that this limit can be taken in closed form. The outcome is a simple procedure that allows one to obtain a description of subnetwork dynamics, including memory functions, starting directly from any given network of unary, binary and Michaelis-Menten reactions. Numerical tests show that this closed form enzyme elimination gives a much more accurate description of the subnetwork dynamics than the simpler method that represents enzymes explicitly, and is also more efficient computationally.
2312.02791
Andrew Ligeralde
Andrew Ligeralde, Yilun Kuang, Thomas Edward Yerxa, Miah N. Pitcher, Marla Feller, SueYeon Chung
Unsupervised learning on spontaneous retinal activity leads to efficient neural representation geometry
null
null
null
null
q-bio.NC
http://creativecommons.org/licenses/by/4.0/
Prior to the onset of vision, neurons in the developing mammalian retina spontaneously fire in correlated activity patterns known as retinal waves. Experimental evidence suggests that retinal waves strongly influence the emergence of sensory representations before visual experience. We aim to model this early stage of functional development by using movies of neurally active developing retinas as pre-training data for neural networks. Specifically, we pre-train a ResNet-18 with an unsupervised contrastive learning objective (SimCLR) on both simulated and experimentally-obtained movies of retinal waves, then evaluate its performance on image classification tasks. We find that pre-training on retinal waves significantly improves performance on tasks that test object invariance to spatial translation, while slightly improving performance on more complex tasks like image classification. Notably, these performance boosts are realized on held-out natural images even though the pre-training procedure does not include any natural image data. We then propose a geometrical explanation for the increase in network performance, namely that the spatiotemporal characteristics of retinal waves facilitate the formation of separable feature representations. In particular, we demonstrate that networks pre-trained on retinal waves are more effective at separating image manifolds than randomly initialized networks, especially for manifolds defined by sets of spatial translations. These findings indicate that the broad spatiotemporal properties of retinal waves prepare networks for higher order feature extraction.
[ { "created": "Tue, 5 Dec 2023 14:22:46 GMT", "version": "v1" } ]
2023-12-06
[ [ "Ligeralde", "Andrew", "" ], [ "Kuang", "Yilun", "" ], [ "Yerxa", "Thomas Edward", "" ], [ "Pitcher", "Miah N.", "" ], [ "Feller", "Marla", "" ], [ "Chung", "SueYeon", "" ] ]
Prior to the onset of vision, neurons in the developing mammalian retina spontaneously fire in correlated activity patterns known as retinal waves. Experimental evidence suggests that retinal waves strongly influence the emergence of sensory representations before visual experience. We aim to model this early stage of functional development by using movies of neurally active developing retinas as pre-training data for neural networks. Specifically, we pre-train a ResNet-18 with an unsupervised contrastive learning objective (SimCLR) on both simulated and experimentally-obtained movies of retinal waves, then evaluate its performance on image classification tasks. We find that pre-training on retinal waves significantly improves performance on tasks that test object invariance to spatial translation, while slightly improving performance on more complex tasks like image classification. Notably, these performance boosts are realized on held-out natural images even though the pre-training procedure does not include any natural image data. We then propose a geometrical explanation for the increase in network performance, namely that the spatiotemporal characteristics of retinal waves facilitate the formation of separable feature representations. In particular, we demonstrate that networks pre-trained on retinal waves are more effective at separating image manifolds than randomly initialized networks, especially for manifolds defined by sets of spatial translations. These findings indicate that the broad spatiotemporal properties of retinal waves prepare networks for higher order feature extraction.
1611.05082
Hugo Jacquin
Hugo Jacquin, Amy Gilson, Eugene Shakhnovich, Simona Cocco, R\'emi Monasson
Benchmarking inverse statistical approaches for protein structure and design with exactly solvable models
Supplementary Information available at http://journals.plos.org/ploscompbiol/article?id=10.1371%2Fjournal.pcbi.1004889
PLoS Comput. Biol. 12(5): e1004889 (2016)
10.1371/journal.pcbi.1004889
null
q-bio.BM cond-mat.stat-mech physics.bio-ph q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Inverse statistical approaches to determine protein structure and function from Multiple Sequence Alignments (MSA) are emerging as powerful tools in computational biology. However the underlying assumptions of the relationship between the inferred effective Potts Hamiltonian and real protein structure and energetics remain untested so far. Here we use lattice protein model (LP) to benchmark those inverse statistical approaches. We build MSA of highly stable sequences in target LP structures, and infer the effective pairwise Potts Hamiltonians from those MSA. We find that inferred Potts Hamiltonians reproduce many important aspects of 'true' LP structures and energetics. Careful analysis reveals that effective pairwise couplings in inferred Potts Hamiltonians depend not only on the energetics of the native structure but also on competing folds; in particular, the coupling values reflect both positive design (stabilization of native conformation) and negative design (destabilization of competing folds). In addition to providing detailed structural information, the inferred Potts models used as protein Hamiltonian for design of new sequences are able to generate with high probability completely new sequences with the desired folds, which is not possible using independent-site models. Those are remarkable results as the effective LP Hamiltonians used to generate MSA are not simple pairwise models due to the competition between the folds. Our findings elucidate the reasons for the success of inverse approaches to the modelling of proteins from sequence data, and their limitations.
[ { "created": "Tue, 15 Nov 2016 22:32:11 GMT", "version": "v1" } ]
2016-11-17
[ [ "Jacquin", "Hugo", "" ], [ "Gilson", "Amy", "" ], [ "Shakhnovich", "Eugene", "" ], [ "Cocco", "Simona", "" ], [ "Monasson", "Rémi", "" ] ]
Inverse statistical approaches to determine protein structure and function from Multiple Sequence Alignments (MSA) are emerging as powerful tools in computational biology. However the underlying assumptions of the relationship between the inferred effective Potts Hamiltonian and real protein structure and energetics remain untested so far. Here we use lattice protein model (LP) to benchmark those inverse statistical approaches. We build MSA of highly stable sequences in target LP structures, and infer the effective pairwise Potts Hamiltonians from those MSA. We find that inferred Potts Hamiltonians reproduce many important aspects of 'true' LP structures and energetics. Careful analysis reveals that effective pairwise couplings in inferred Potts Hamiltonians depend not only on the energetics of the native structure but also on competing folds; in particular, the coupling values reflect both positive design (stabilization of native conformation) and negative design (destabilization of competing folds). In addition to providing detailed structural information, the inferred Potts models used as protein Hamiltonian for design of new sequences are able to generate with high probability completely new sequences with the desired folds, which is not possible using independent-site models. Those are remarkable results as the effective LP Hamiltonians used to generate MSA are not simple pairwise models due to the competition between the folds. Our findings elucidate the reasons for the success of inverse approaches to the modelling of proteins from sequence data, and their limitations.
1508.05782
Jaan Aru
Madis Vasser, Markus K\"angsepp, Jaan Aru
Change Blindness in 3D Virtual Reality
null
null
null
null
q-bio.NC cs.HC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
In the present change blindness study subjects explored stereoscopic three dimensional (3D) environments through a virtual reality (VR) headset. A novel method that tracked the subjects' head movements was used for inducing changes in the scene whenever the changing object was out of the field of view. The effect of change location (foreground or background in 3D depth) on change blindness was investigated. Two experiments were conducted, one in the lab (n = 50) and the other online (n = 25). Up to 25% of the changes were undetected and the mean overall search time was 27 seconds in the lab study. Results indicated significantly lower change detection success and more change cycles if the changes occurred in the background, with no differences in overall search times. The results confirm findings from previous studies and extend them to 3D environments. The study also demonstrates the feasibility of online VR experiments.
[ { "created": "Mon, 24 Aug 2015 12:33:10 GMT", "version": "v1" } ]
2015-08-25
[ [ "Vasser", "Madis", "" ], [ "Kängsepp", "Markus", "" ], [ "Aru", "Jaan", "" ] ]
In the present change blindness study subjects explored stereoscopic three dimensional (3D) environments through a virtual reality (VR) headset. A novel method that tracked the subjects' head movements was used for inducing changes in the scene whenever the changing object was out of the field of view. The effect of change location (foreground or background in 3D depth) on change blindness was investigated. Two experiments were conducted, one in the lab (n = 50) and the other online (n = 25). Up to 25% of the changes were undetected and the mean overall search time was 27 seconds in the lab study. Results indicated significantly lower change detection success and more change cycles if the changes occurred in the background, with no differences in overall search times. The results confirm findings from previous studies and extend them to 3D environments. The study also demonstrates the feasibility of online VR experiments.
1005.3349
Nicholas Chia
Nicholas Chia and Nigel Goldenfeld
The dynamics of gene duplication and transposons in microbial genomes following a sudden environmental change
null
null
10.1103/PhysRevE.83.021906
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
A variety of genome transformations can occur as a microbial population adapts to a large environmental change. In particular, genomic surveys indicate that, following the transition to an obligate, host-dependent symbiont, the density of transposons first rises, then subsequently declines over evolutionary time. Here, we show that these observations can be accounted for by a class of generic stochastic models for the evolution of genomes in the presence of continuous selection and gene duplication. The models use a fitness function that allows for partial contributions from multiple gene copies, is an increasing but bounded function of copy number, and is optimal for one fully adapted gene copy. We use Monte Carlo simulation to show that the dynamics result in an initial rise in gene copy number followed by a subsequent fall due to adaptation to the new environmental parameters. These results are robust for reasonable gene duplication and mutation parameters when adapting to a novel target sequence. Our model provides a generic explanation for the dynamics of microbial transposon density following a large environmental changes such as host restriction.
[ { "created": "Wed, 19 May 2010 01:37:07 GMT", "version": "v1" }, { "created": "Tue, 2 Nov 2010 04:43:29 GMT", "version": "v2" }, { "created": "Wed, 19 Jan 2011 06:12:11 GMT", "version": "v3" } ]
2015-03-17
[ [ "Chia", "Nicholas", "" ], [ "Goldenfeld", "Nigel", "" ] ]
A variety of genome transformations can occur as a microbial population adapts to a large environmental change. In particular, genomic surveys indicate that, following the transition to an obligate, host-dependent symbiont, the density of transposons first rises, then subsequently declines over evolutionary time. Here, we show that these observations can be accounted for by a class of generic stochastic models for the evolution of genomes in the presence of continuous selection and gene duplication. The models use a fitness function that allows for partial contributions from multiple gene copies, is an increasing but bounded function of copy number, and is optimal for one fully adapted gene copy. We use Monte Carlo simulation to show that the dynamics result in an initial rise in gene copy number followed by a subsequent fall due to adaptation to the new environmental parameters. These results are robust for reasonable gene duplication and mutation parameters when adapting to a novel target sequence. Our model provides a generic explanation for the dynamics of microbial transposon density following a large environmental changes such as host restriction.
2408.00711
Amarpal Sahota
Amarpal Sahota, Amber Roguski, Matthew W Jones, Zahraa S. Abdallah and Raul Santos-Rodriguez
Investigating Brain Connectivity and Regional Statistics from EEG for early stage Parkinson's Classification
null
null
null
null
q-bio.NC cs.AI eess.SP
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We evaluate the effectiveness of combining brain connectivity metrics with signal statistics for early stage Parkinson's Disease (PD) classification using electroencephalogram data (EEG). The data is from 5 arousal states - wakeful and four sleep stages (N1, N2, N3 and REM). Our pipeline uses an Ada Boost model for classification on a challenging early stage PD classification task with with only 30 participants (11 PD , 19 Healthy Control). Evaluating 9 brain connectivity metrics we find the best connectivity metric to be different for each arousal state with Phase Lag Index achieving the highest individual classification accuracy of 86\% on N1 data. Further to this our pipeline using regional signal statistics achieves an accuracy of 78\%, using brain connectivity only achieves an accuracy of 86\% whereas combining the two achieves a best accuracy of 91\%. This best performance is achieved on N1 data using Phase Lag Index (PLI) combined with statistics derived from the frequency characteristics of the EEG signal. This model also achieves a recall of 80 \% and precision of 96\%. Furthermore we find that on data from each arousal state, combining PLI with regional signal statistics improves classification accuracy versus using signal statistics or brain connectivity alone. Thus we conclude that combining brain connectivity statistics with regional EEG statistics is optimal for classifier performance on early stage Parkinson's. Additionally, we find outperformance of N1 EEG for classification of Parkinson's and expect this could be due to disrupted N1 sleep in PD. This should be explored in future work.
[ { "created": "Thu, 1 Aug 2024 16:58:21 GMT", "version": "v1" } ]
2024-08-02
[ [ "Sahota", "Amarpal", "" ], [ "Roguski", "Amber", "" ], [ "Jones", "Matthew W", "" ], [ "Abdallah", "Zahraa S.", "" ], [ "Santos-Rodriguez", "Raul", "" ] ]
We evaluate the effectiveness of combining brain connectivity metrics with signal statistics for early stage Parkinson's Disease (PD) classification using electroencephalogram data (EEG). The data is from 5 arousal states - wakeful and four sleep stages (N1, N2, N3 and REM). Our pipeline uses an Ada Boost model for classification on a challenging early stage PD classification task with with only 30 participants (11 PD , 19 Healthy Control). Evaluating 9 brain connectivity metrics we find the best connectivity metric to be different for each arousal state with Phase Lag Index achieving the highest individual classification accuracy of 86\% on N1 data. Further to this our pipeline using regional signal statistics achieves an accuracy of 78\%, using brain connectivity only achieves an accuracy of 86\% whereas combining the two achieves a best accuracy of 91\%. This best performance is achieved on N1 data using Phase Lag Index (PLI) combined with statistics derived from the frequency characteristics of the EEG signal. This model also achieves a recall of 80 \% and precision of 96\%. Furthermore we find that on data from each arousal state, combining PLI with regional signal statistics improves classification accuracy versus using signal statistics or brain connectivity alone. Thus we conclude that combining brain connectivity statistics with regional EEG statistics is optimal for classifier performance on early stage Parkinson's. Additionally, we find outperformance of N1 EEG for classification of Parkinson's and expect this could be due to disrupted N1 sleep in PD. This should be explored in future work.
1701.06122
Tal Einav
Tal Einav, Rob Phillips
Monod-Wyman-Changeux Analysis of Ligand-Gated Ion Channel Mutants
null
null
null
null
q-bio.SC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We present a framework for computing the gating properties of ligand-gated ion channel mutants using the Monod-Wyman-Changeux (MWC) model of allostery. We derive simple analytic formulas for key functional properties such as the leakiness, dynamic range, half-maximal effective concentration, and effective Hill coefficient, and explore the full spectrum of phenotypes that are accessible through mutations. Specifically, we consider mutations in the channel pore of nicotinic acetylcholine receptor (nAChR) and the ligand binding domain of a cyclic nucleotide-gated (CNG) ion channel, demonstrating how each mutation can be characterized as only affecting a subset of the biophysical parameters. In addition, we show how the unifying perspective offered by the MWC model allows us, perhaps surprisingly, to collapse the plethora of dose-response data from different classes of ion channels into a universal family of curves.
[ { "created": "Sun, 22 Jan 2017 05:10:51 GMT", "version": "v1" } ]
2017-01-24
[ [ "Einav", "Tal", "" ], [ "Phillips", "Rob", "" ] ]
We present a framework for computing the gating properties of ligand-gated ion channel mutants using the Monod-Wyman-Changeux (MWC) model of allostery. We derive simple analytic formulas for key functional properties such as the leakiness, dynamic range, half-maximal effective concentration, and effective Hill coefficient, and explore the full spectrum of phenotypes that are accessible through mutations. Specifically, we consider mutations in the channel pore of nicotinic acetylcholine receptor (nAChR) and the ligand binding domain of a cyclic nucleotide-gated (CNG) ion channel, demonstrating how each mutation can be characterized as only affecting a subset of the biophysical parameters. In addition, we show how the unifying perspective offered by the MWC model allows us, perhaps surprisingly, to collapse the plethora of dose-response data from different classes of ion channels into a universal family of curves.
1911.11304
Caitlin Loeffler
Caitlin Loeffler, Keylie M. Gibson, Lana Martin, Liz Chang, Jeremy Rotman, Ian V. Toma, Christopher E. Mason, Eleazar Eskin, Joseph P. Zackular, Keith A. Crandall, David Koslicki, Serghei Mangul
Metagenomics for clinical diagnostics: technologies and informatics
75 pages, 7 figures, 2 tables, 4 supplementary table, review paper
null
null
null
q-bio.QM q-bio.GN
http://creativecommons.org/publicdomain/zero/1.0/
The human-associated microbiome is closely tied to human health and is of substantial clinical interest. Metagenomics-based tools are emerging for clinical diagnostics, tracking the spread of diseases, and surveillance of potential pathogens. In some cases, these tools are overcoming limitations of traditional clinical approaches. Metagenomics has limitations barring the tools from clinical validation. Once these hurdles are overcome, clinical metagenomics will inform doctors of the best, targeted treatment for their patients and provide early detection of disease. Here we present an overview of metagenomics methods with a discussion of computational challenges and limitations.
[ { "created": "Tue, 26 Nov 2019 01:36:30 GMT", "version": "v1" }, { "created": "Sat, 8 Aug 2020 02:44:42 GMT", "version": "v2" } ]
2020-08-11
[ [ "Loeffler", "Caitlin", "" ], [ "Gibson", "Keylie M.", "" ], [ "Martin", "Lana", "" ], [ "Chang", "Liz", "" ], [ "Rotman", "Jeremy", "" ], [ "Toma", "Ian V.", "" ], [ "Mason", "Christopher E.", "" ], [ ...
The human-associated microbiome is closely tied to human health and is of substantial clinical interest. Metagenomics-based tools are emerging for clinical diagnostics, tracking the spread of diseases, and surveillance of potential pathogens. In some cases, these tools are overcoming limitations of traditional clinical approaches. Metagenomics has limitations barring the tools from clinical validation. Once these hurdles are overcome, clinical metagenomics will inform doctors of the best, targeted treatment for their patients and provide early detection of disease. Here we present an overview of metagenomics methods with a discussion of computational challenges and limitations.
1905.06301
Chaitanya A. Athale
Yash Joshi, Yash Kiran Jawale and Chaitanya Anil Athale
Tunability of the Dual Feedback Genetic Oscillator Modeled by the Asymmetry in Transcription and Translation
This work was begun as a part of an iGEM project
Phys. Rev. E 101, 012417 (2020)
10.1103/PhysRevE.101.012417
null
q-bio.MN q-bio.SC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Oscillatory gene circuits are ubiquitous to biology and are involved in fundamental processes of cell cycle, circadian rhythms and developmental systems. The synthesis of small, non-natural oscillatory genetic circuits have been increasingly used to test fundamental principles of genetic network dynamics. A recently developed fast, tunable genetic oscillator by Stricker et al.[23] has demonstrated robustness and tunability of oscillatory behavior by combining positive and negative feedback loops. This oscillator combining lacI (negative) and araC (positive) feedback loops, was however modeled using multiple layers of differential equations to capture the molecular complexity of regulation, in order to explain the experimentally measured oscillations. We have developed a reduced model based on delay differential equations (DDEs) of this dual feedback loop oscillator, that reproduces the tunability of oscillator period and amplitude based on the concentration of the two inducers isopropyl b-D-1-thiogalactopyranoside (IPTG) and arabinose. Previous work had predicted a need for an asymmetry in copy numbers of activator (araC) and repressor (lacI) genes encoded on plasmids. We use our reduced model to redesign the network by comparing the effect of asymmetry in gene expression at the level of (a) DNA copy numbers and the rates of (b) mRNA translation and (c) degradation. We find the minimal period of the oscillator is sensitive to DNA copy number asymmetry, but translation rate asymmetry has an identical effect as plasmid copy numbers, while modulating the asymmetry in mRNA degradation can improve the tunability of period of the oscillator, together with increased robustness to replication 'noise' and influence of the host cell cycle. Thus, our model predicts experimentally testable principles to redesign a potentially more robust oscillatory genetic network.
[ { "created": "Wed, 15 May 2019 17:19:50 GMT", "version": "v1" } ]
2020-02-05
[ [ "Joshi", "Yash", "" ], [ "Jawale", "Yash Kiran", "" ], [ "Athale", "Chaitanya Anil", "" ] ]
Oscillatory gene circuits are ubiquitous to biology and are involved in fundamental processes of cell cycle, circadian rhythms and developmental systems. The synthesis of small, non-natural oscillatory genetic circuits have been increasingly used to test fundamental principles of genetic network dynamics. A recently developed fast, tunable genetic oscillator by Stricker et al.[23] has demonstrated robustness and tunability of oscillatory behavior by combining positive and negative feedback loops. This oscillator combining lacI (negative) and araC (positive) feedback loops, was however modeled using multiple layers of differential equations to capture the molecular complexity of regulation, in order to explain the experimentally measured oscillations. We have developed a reduced model based on delay differential equations (DDEs) of this dual feedback loop oscillator, that reproduces the tunability of oscillator period and amplitude based on the concentration of the two inducers isopropyl b-D-1-thiogalactopyranoside (IPTG) and arabinose. Previous work had predicted a need for an asymmetry in copy numbers of activator (araC) and repressor (lacI) genes encoded on plasmids. We use our reduced model to redesign the network by comparing the effect of asymmetry in gene expression at the level of (a) DNA copy numbers and the rates of (b) mRNA translation and (c) degradation. We find the minimal period of the oscillator is sensitive to DNA copy number asymmetry, but translation rate asymmetry has an identical effect as plasmid copy numbers, while modulating the asymmetry in mRNA degradation can improve the tunability of period of the oscillator, together with increased robustness to replication 'noise' and influence of the host cell cycle. Thus, our model predicts experimentally testable principles to redesign a potentially more robust oscillatory genetic network.
1712.01146
Karel B\v{r}inda
Karel B\v{r}inda, Valentina Boeva, Gregory Kucherov
Ococo: an online variant and consensus caller
null
null
null
null
q-bio.GN
http://creativecommons.org/licenses/by-nc-sa/4.0/
Motivation: Identifying genomic variants is an essential step for connecting genotype and phenotype. The usual approach consists of statistical inference of variants from alignments of sequencing reads. State-of-the-art variant callers can resolve a wide range of different variant types with high accuracy. However, they require that all read alignments be available from the beginning of variant calling and be sorted by coordinates. Sorting is computationally expensive, both memory- and speed-wise, and the resulting pipelines suffer from storing and retrieving large alignments files from external memory. Therefore, there is interest in developing methods for resource-efficient variant calling. Results: We present Ococo, the first program capable of inferring variants in a real-time, as read alignments are fed in. Ococo inputs unsorted alignments from a stream and infers single-nucleotide variants, together with a genomic consensus, using statistics stored in compact several-bit counters. Ococo provides a fast and memory-efficient alternative to the usual variant calling. It is particularly advantageous when reads are sequenced or mapped progressively, or when available computational resources are at a premium.
[ { "created": "Mon, 4 Dec 2017 15:30:24 GMT", "version": "v1" }, { "created": "Mon, 5 Nov 2018 23:24:33 GMT", "version": "v2" } ]
2018-11-07
[ [ "Břinda", "Karel", "" ], [ "Boeva", "Valentina", "" ], [ "Kucherov", "Gregory", "" ] ]
Motivation: Identifying genomic variants is an essential step for connecting genotype and phenotype. The usual approach consists of statistical inference of variants from alignments of sequencing reads. State-of-the-art variant callers can resolve a wide range of different variant types with high accuracy. However, they require that all read alignments be available from the beginning of variant calling and be sorted by coordinates. Sorting is computationally expensive, both memory- and speed-wise, and the resulting pipelines suffer from storing and retrieving large alignments files from external memory. Therefore, there is interest in developing methods for resource-efficient variant calling. Results: We present Ococo, the first program capable of inferring variants in a real-time, as read alignments are fed in. Ococo inputs unsorted alignments from a stream and infers single-nucleotide variants, together with a genomic consensus, using statistics stored in compact several-bit counters. Ococo provides a fast and memory-efficient alternative to the usual variant calling. It is particularly advantageous when reads are sequenced or mapped progressively, or when available computational resources are at a premium.
1203.2430
Taoyang Wu
Si Li, Kwok Pui Choi, Taoyang Wu, Louxin Zhang
Reconstruction of Network Evolutionary History from Extant Network Topology and Duplication History
15 pages, 5 figures, submitted to ISBRA 2012
null
null
null
q-bio.PE math.CO q-bio.MN
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Genome-wide protein-protein interaction (PPI) data are readily available thanks to recent breakthroughs in biotechnology. However, PPI networks of extant organisms are only snapshots of the network evolution. How to infer the whole evolution history becomes a challenging problem in computational biology. In this paper, we present a likelihood-based approach to inferring network evolution history from the topology of PPI networks and the duplication relationship among the paralogs. Simulations show that our approach outperforms the existing ones in terms of the accuracy of reconstruction. Moreover, the growth parameters of several real PPI networks estimated by our method are more consistent with the ones predicted in literature.
[ { "created": "Mon, 12 Mar 2012 09:20:34 GMT", "version": "v1" } ]
2012-03-13
[ [ "Li", "Si", "" ], [ "Choi", "Kwok Pui", "" ], [ "Wu", "Taoyang", "" ], [ "Zhang", "Louxin", "" ] ]
Genome-wide protein-protein interaction (PPI) data are readily available thanks to recent breakthroughs in biotechnology. However, PPI networks of extant organisms are only snapshots of the network evolution. How to infer the whole evolution history becomes a challenging problem in computational biology. In this paper, we present a likelihood-based approach to inferring network evolution history from the topology of PPI networks and the duplication relationship among the paralogs. Simulations show that our approach outperforms the existing ones in terms of the accuracy of reconstruction. Moreover, the growth parameters of several real PPI networks estimated by our method are more consistent with the ones predicted in literature.
2309.15326
Alexander Browning
Alexander P Browning and Maria Tasc\u{a} and Carles Falc\'o and Ruth E Baker
Structural identifiability analysis of linear reaction-advection-diffusion processes in mathematical biology
null
null
null
null
q-bio.QM stat.ME
http://creativecommons.org/licenses/by/4.0/
Effective application of mathematical models to interpret biological data and make accurate predictions often requires that model parameters are identifiable. Approaches to assess the so-called structural identifiability of models are well-established for ordinary differential equation models, yet there are no commonly adopted approaches that can be applied to assess the structural identifiability of the partial differential equation (PDE) models that are requisite to capture spatial features inherent to many phenomena. The differential algebra approach to structural identifiability has recently been demonstrated to be applicable to several specific PDE models. In this brief article, we present general methodology for performing structural identifiability analysis on partially observed reaction-advection-diffusion (RAD) PDE models that are linear in the unobserved quantities. We show that the differential algebra approach can always, in theory, be applied to such models. Moreover, despite the perceived complexity introduced by the addition of advection and diffusion terms, identifiability of spatial analogues of non-spatial models cannot decrease in structural identifiability. We conclude by discussing future possibilities and the computational cost of performing structural identifiability analysis on more general PDE models.
[ { "created": "Wed, 27 Sep 2023 00:12:20 GMT", "version": "v1" }, { "created": "Thu, 28 Sep 2023 23:21:46 GMT", "version": "v2" }, { "created": "Tue, 27 Feb 2024 07:12:17 GMT", "version": "v3" } ]
2024-02-28
[ [ "Browning", "Alexander P", "" ], [ "Tască", "Maria", "" ], [ "Falcó", "Carles", "" ], [ "Baker", "Ruth E", "" ] ]
Effective application of mathematical models to interpret biological data and make accurate predictions often requires that model parameters are identifiable. Approaches to assess the so-called structural identifiability of models are well-established for ordinary differential equation models, yet there are no commonly adopted approaches that can be applied to assess the structural identifiability of the partial differential equation (PDE) models that are requisite to capture spatial features inherent to many phenomena. The differential algebra approach to structural identifiability has recently been demonstrated to be applicable to several specific PDE models. In this brief article, we present general methodology for performing structural identifiability analysis on partially observed reaction-advection-diffusion (RAD) PDE models that are linear in the unobserved quantities. We show that the differential algebra approach can always, in theory, be applied to such models. Moreover, despite the perceived complexity introduced by the addition of advection and diffusion terms, identifiability of spatial analogues of non-spatial models cannot decrease in structural identifiability. We conclude by discussing future possibilities and the computational cost of performing structural identifiability analysis on more general PDE models.
2204.05919
Lei Fang Mr
Lei Fang and Junren Li and Ming Zhao and Li Tan and Jian-Guang Lou
Leveraging Reaction-aware Substructures for Retrosynthesis Analysis
Work in progress
null
null
null
q-bio.QM
http://creativecommons.org/licenses/by-sa/4.0/
Retrosynthesis analysis is a critical task in organic chemistry central to many important industries. Previously, various machine learning approaches have achieved promising results on this task by representing output molecules as strings and autoregressively decoded token-by-token with generative models. Text generation or machine translation models in natural language processing were frequently utilized approaches. The token-by-token decoding approach is not intuitive from a chemistry perspective because some substructures are relatively stable and remain unchanged during reactions. In this paper, we propose a substructure-level decoding model, where the substructures are reaction-aware and can be automatically extracted with a fully data-driven approach. Our approach achieved improvement over previously reported models, and we find that the performance can be further boosted if the accuracy of substructure extraction is improved. The substructures extracted by our approach can provide users with better insights for decision-making compared to existing methods. We hope this work will generate interest in this fast growing and highly interdisciplinary area on retrosynthesis prediction and other related topics.
[ { "created": "Tue, 12 Apr 2022 16:25:51 GMT", "version": "v1" }, { "created": "Wed, 13 Apr 2022 10:31:30 GMT", "version": "v2" }, { "created": "Thu, 28 Apr 2022 09:06:45 GMT", "version": "v3" }, { "created": "Sun, 18 Sep 2022 10:13:49 GMT", "version": "v4" } ]
2022-09-20
[ [ "Fang", "Lei", "" ], [ "Li", "Junren", "" ], [ "Zhao", "Ming", "" ], [ "Tan", "Li", "" ], [ "Lou", "Jian-Guang", "" ] ]
Retrosynthesis analysis is a critical task in organic chemistry central to many important industries. Previously, various machine learning approaches have achieved promising results on this task by representing output molecules as strings and autoregressively decoded token-by-token with generative models. Text generation or machine translation models in natural language processing were frequently utilized approaches. The token-by-token decoding approach is not intuitive from a chemistry perspective because some substructures are relatively stable and remain unchanged during reactions. In this paper, we propose a substructure-level decoding model, where the substructures are reaction-aware and can be automatically extracted with a fully data-driven approach. Our approach achieved improvement over previously reported models, and we find that the performance can be further boosted if the accuracy of substructure extraction is improved. The substructures extracted by our approach can provide users with better insights for decision-making compared to existing methods. We hope this work will generate interest in this fast growing and highly interdisciplinary area on retrosynthesis prediction and other related topics.
1409.1199
Stephen Plaza PhD
Stephen M. Plaza
Focused Proofreading: Efficiently Extracting Connectomes from Segmented EM Images
null
null
null
null
q-bio.QM cs.CV
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Identifying complex neural circuitry from electron microscopic (EM) images may help unlock the mysteries of the brain. However, identifying this circuitry requires time-consuming, manual tracing (proofreading) due to the size and intricacy of these image datasets, thus limiting state-of-the-art analysis to very small brain regions. Potential avenues to improve scalability include automatic image segmentation and crowd sourcing, but current efforts have had limited success. In this paper, we propose a new strategy, focused proofreading, that works with automatic segmentation and aims to limit proofreading to the regions of a dataset that are most impactful to the resulting circuit. We then introduce a novel workflow, which exploits biological information such as synapses, and apply it to a large dataset in the fly optic lobe. With our techniques, we achieve significant tracing speedups of 3-5x without sacrificing the quality of the resulting circuit. Furthermore, our methodology makes the task of proofreading much more accessible and hence potentially enhances the effectiveness of crowd sourcing.
[ { "created": "Wed, 3 Sep 2014 19:14:13 GMT", "version": "v1" } ]
2014-09-04
[ [ "Plaza", "Stephen M.", "" ] ]
Identifying complex neural circuitry from electron microscopic (EM) images may help unlock the mysteries of the brain. However, identifying this circuitry requires time-consuming, manual tracing (proofreading) due to the size and intricacy of these image datasets, thus limiting state-of-the-art analysis to very small brain regions. Potential avenues to improve scalability include automatic image segmentation and crowd sourcing, but current efforts have had limited success. In this paper, we propose a new strategy, focused proofreading, that works with automatic segmentation and aims to limit proofreading to the regions of a dataset that are most impactful to the resulting circuit. We then introduce a novel workflow, which exploits biological information such as synapses, and apply it to a large dataset in the fly optic lobe. With our techniques, we achieve significant tracing speedups of 3-5x without sacrificing the quality of the resulting circuit. Furthermore, our methodology makes the task of proofreading much more accessible and hence potentially enhances the effectiveness of crowd sourcing.
1902.03238
James Larus
Sahand Kashani and Stuart Byma and James R. Larus
IMPACT: Interval-based Multi-pass Proteomic Alignment with Constant Traceback
null
null
null
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Darwin is a genomics co-processor that achieved a 15000x acceleration on long read assembly through innovative hardware and algorithm co-design. Darwins algorithms and hardware implementation were specifically designed for DNA analysis pipelines. This paper analyzes the feasibility of applying Darwins algorithms to the problem of protein sequence alignment. In addition to a behavioral analysis of Darwin when aligning proteins, we propose an algorithmic improvement to Darwins alignment algorithm, GACT, in the form of a multi-pass variant that increases its accuracy on protein sequence alignment. Concretely, our proposed multi-pass variant of GACT achieves on average 14\% better alignment scores.
[ { "created": "Sat, 9 Feb 2019 16:25:59 GMT", "version": "v1" } ]
2019-02-12
[ [ "Kashani", "Sahand", "" ], [ "Byma", "Stuart", "" ], [ "Larus", "James R.", "" ] ]
Darwin is a genomics co-processor that achieved a 15000x acceleration on long read assembly through innovative hardware and algorithm co-design. Darwins algorithms and hardware implementation were specifically designed for DNA analysis pipelines. This paper analyzes the feasibility of applying Darwins algorithms to the problem of protein sequence alignment. In addition to a behavioral analysis of Darwin when aligning proteins, we propose an algorithmic improvement to Darwins alignment algorithm, GACT, in the form of a multi-pass variant that increases its accuracy on protein sequence alignment. Concretely, our proposed multi-pass variant of GACT achieves on average 14\% better alignment scores.
1304.4460
Filippos Klironomos
Filippos D. Klironomos, Juliette de Meaux, Johannes Berg
Can we always sweep the details of RNA-processing under the carpet?
null
null
10.1088/1478-3975/10/5/056007
null
q-bio.QM q-bio.MN
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
RNA molecules follow a succession of enzyme-mediated processing steps from transcription until maturation. The participating enzymes, for example the spliceosome for mRNAs and Drosha and Dicer for microRNAs, are also produced in the cell and their copy-numbers fluctuate over time. Enzyme copy-number changes affect the processing rate of the substrate molecules; high enzyme numbers increase the processing probability, low enzyme numbers decrease it. We study different RNA processing cascades where enzyme copy-numbers are either fixed or fluctuate. We find that for fixed enzyme-copy numbers the substrates at steady-state are Poisson-distributed, and the whole RNA cascade dynamics can be understood as a single birth-death process of the mature RNA product. In this case, solely fluctuations in the timing of RNA processing lead to variation in the number of RNA molecules. However, we show analytically and numerically that when enzyme copy-numbers fluctuate, the strength of RNA fluctuations increases linearly with the RNA transcription rate. This linear effect becomes stronger as the speed of enzyme dynamics decreases relative to the speed of RNA dynamics. Interestingly, we find that under certain conditions, the RNA cascade can reduce the strength of fluctuations in the expression level of the mature RNA product. Finally, by investigating the effects of processing polymorphisms we show that it is possible for the effects of transcriptional polymorphisms to be enhanced, reduced, or even reversed. Our results provide a framework to understand the dynamics of RNA processing.
[ { "created": "Tue, 16 Apr 2013 14:26:24 GMT", "version": "v1" }, { "created": "Fri, 31 May 2013 08:13:03 GMT", "version": "v2" }, { "created": "Wed, 11 Sep 2013 12:33:03 GMT", "version": "v3" } ]
2015-06-15
[ [ "Klironomos", "Filippos D.", "" ], [ "de Meaux", "Juliette", "" ], [ "Berg", "Johannes", "" ] ]
RNA molecules follow a succession of enzyme-mediated processing steps from transcription until maturation. The participating enzymes, for example the spliceosome for mRNAs and Drosha and Dicer for microRNAs, are also produced in the cell and their copy-numbers fluctuate over time. Enzyme copy-number changes affect the processing rate of the substrate molecules; high enzyme numbers increase the processing probability, low enzyme numbers decrease it. We study different RNA processing cascades where enzyme copy-numbers are either fixed or fluctuate. We find that for fixed enzyme-copy numbers the substrates at steady-state are Poisson-distributed, and the whole RNA cascade dynamics can be understood as a single birth-death process of the mature RNA product. In this case, solely fluctuations in the timing of RNA processing lead to variation in the number of RNA molecules. However, we show analytically and numerically that when enzyme copy-numbers fluctuate, the strength of RNA fluctuations increases linearly with the RNA transcription rate. This linear effect becomes stronger as the speed of enzyme dynamics decreases relative to the speed of RNA dynamics. Interestingly, we find that under certain conditions, the RNA cascade can reduce the strength of fluctuations in the expression level of the mature RNA product. Finally, by investigating the effects of processing polymorphisms we show that it is possible for the effects of transcriptional polymorphisms to be enhanced, reduced, or even reversed. Our results provide a framework to understand the dynamics of RNA processing.
1910.09746
Michael Phillips
Michael Phillips
Hysteresis Effects in Social Behavior with Parasitic Infection
7 pages, 6 figures; accepted in Journal of Statistical Physics (2020)
null
10.1007/s10955-020-02580-6
null
q-bio.PE nlin.AO physics.soc-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Recent work has found that the behavior of an individual can be altered when infected by a parasite. Here we explore the question: under what conditions, in principle, can a general parasitic infection control system-wide social behaviors? We analyze fixed points and hysteresis effects under the Master Equation, with transitions between two behaviors given two different subpopulations, healthy vs. parasitically-infected, within a population which is kept fixed overall. The key model choices are: (i) the internal opinion of infected humans may differ from that of the healthy population, (ii) the extent that interaction drives behavioral changes may also differ, and (iii) indirect interactions are most important. We find that the socio-configuration can be controlled by the parasitically-infected population, under some conditions, even if the healthy population is the majority and of opposite opinion.
[ { "created": "Sun, 20 Oct 2019 20:50:16 GMT", "version": "v1" }, { "created": "Tue, 9 Jun 2020 23:13:12 GMT", "version": "v2" } ]
2020-06-11
[ [ "Phillips", "Michael", "" ] ]
Recent work has found that the behavior of an individual can be altered when infected by a parasite. Here we explore the question: under what conditions, in principle, can a general parasitic infection control system-wide social behaviors? We analyze fixed points and hysteresis effects under the Master Equation, with transitions between two behaviors given two different subpopulations, healthy vs. parasitically-infected, within a population which is kept fixed overall. The key model choices are: (i) the internal opinion of infected humans may differ from that of the healthy population, (ii) the extent that interaction drives behavioral changes may also differ, and (iii) indirect interactions are most important. We find that the socio-configuration can be controlled by the parasitically-infected population, under some conditions, even if the healthy population is the majority and of opposite opinion.
q-bio/0509042
Atul Narang
Atul Narang
Comparative analysis of some models of mixed-substrate microbial growth
5 figures
null
null
null
q-bio.MN
null
Mixed-substrate microbial growth is among the most intensely studied systems in molecular microbiology. Several mathematical models have been developed to account for the genetic regulation of such systems, especially those resulting in diauxic growth. In this work, we compare the dynamics of three such models (Narang, Biotech. Bioeng., 59, 116, 1998; Thattai & Shraiman, Biophys. J, 85, 744, 2003; Brandt et al, Water Research, 38, 1004, 2004). We show that these models are dynamically similar - the initial motion of the inducible enzymes in all the models is described by Lotka-Volterra equations for competing species. The dynamic similarity occurs because in all the models, the inducible enzymes possess properties characteristic of competing species: Their synthesis is autocatalytic, and they inhibit each other. Despite this dynamic similarity, the models vary with respect to the range of dynamics captured. The Brandt et al model captures only the diauxic growth pattern, whereas the remaining two models capture both diauxic and non-diauxic growth patterns. The models also differ with respect to the mechanisms that generate the mutual inhibition between the enzymes. In the Narang model, the mutual inhibition occurs because the enzymes for each substrate enhance the dilution of the enzymes for the other substrate. In the Thattai & Shraiman model, the mutual inhibition is entirely due to competition for the phosphoryl groups.
[ { "created": "Thu, 29 Sep 2005 16:20:30 GMT", "version": "v1" } ]
2007-05-23
[ [ "Narang", "Atul", "" ] ]
Mixed-substrate microbial growth is among the most intensely studied systems in molecular microbiology. Several mathematical models have been developed to account for the genetic regulation of such systems, especially those resulting in diauxic growth. In this work, we compare the dynamics of three such models (Narang, Biotech. Bioeng., 59, 116, 1998; Thattai & Shraiman, Biophys. J, 85, 744, 2003; Brandt et al, Water Research, 38, 1004, 2004). We show that these models are dynamically similar - the initial motion of the inducible enzymes in all the models is described by Lotka-Volterra equations for competing species. The dynamic similarity occurs because in all the models, the inducible enzymes possess properties characteristic of competing species: Their synthesis is autocatalytic, and they inhibit each other. Despite this dynamic similarity, the models vary with respect to the range of dynamics captured. The Brandt et al model captures only the diauxic growth pattern, whereas the remaining two models capture both diauxic and non-diauxic growth patterns. The models also differ with respect to the mechanisms that generate the mutual inhibition between the enzymes. In the Narang model, the mutual inhibition occurs because the enzymes for each substrate enhance the dilution of the enzymes for the other substrate. In the Thattai & Shraiman model, the mutual inhibition is entirely due to competition for the phosphoryl groups.
0808.3996
Marcelo Magnasco
Marcelo O. Magnasco, Oreste Piro, Guillermo A. Cecchi
Dynamical and Statistical Criticality in a Model of Neural Tissue
null
null
10.1103/PhysRevLett.102.258102
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
For the nervous system to work at all, a delicate balance of excitation and inhibition must be achieved. However, when such a balance is sought by global strategies, only few modes remain balanced close to instability, and all other modes are strongly stable. Here we present a simple model of neural tissue in which this balance is sought locally by neurons following `anti-Hebbian' behavior: {\sl all} degrees of freedom achieve a close balance of excitation and inhibition and become "critical" in the dynamical sense. At long timescales, the modes of our model oscillate around the instability line, so an extremely complex "breakout" dynamics ensues in which different modes of the system oscillate between prominence and extinction. We show the system develops various anomalous statistical behaviours and hence becomes self-organized critical in the statistical sense.
[ { "created": "Thu, 28 Aug 2008 21:30:22 GMT", "version": "v1" } ]
2013-05-29
[ [ "Magnasco", "Marcelo O.", "" ], [ "Piro", "Oreste", "" ], [ "Cecchi", "Guillermo A.", "" ] ]
For the nervous system to work at all, a delicate balance of excitation and inhibition must be achieved. However, when such a balance is sought by global strategies, only few modes remain balanced close to instability, and all other modes are strongly stable. Here we present a simple model of neural tissue in which this balance is sought locally by neurons following `anti-Hebbian' behavior: {\sl all} degrees of freedom achieve a close balance of excitation and inhibition and become "critical" in the dynamical sense. At long timescales, the modes of our model oscillate around the instability line, so an extremely complex "breakout" dynamics ensues in which different modes of the system oscillate between prominence and extinction. We show the system develops various anomalous statistical behaviours and hence becomes self-organized critical in the statistical sense.
1506.02087
Min Xu
Min Xu
Global Gene Expression Analysis Using Machine Learning Methods
Author's master thesis (National University of Singapore, May 2003). Adviser: Rudy Setiono
null
null
null
q-bio.QM cs.CE cs.LG stat.ML
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Microarray is a technology to quantitatively monitor the expression of large number of genes in parallel. It has become one of the main tools for global gene expression analysis in molecular biology research in recent years. The large amount of expression data generated by this technology makes the study of certain complex biological problems possible and machine learning methods are playing a crucial role in the analysis process. At present, many machine learning methods have been or have the potential to be applied to major areas of gene expression analysis. These areas include clustering, classification, dynamic modeling and reverse engineering. In this thesis, we focus our work on using machine learning methods to solve the classification problems arising from microarray data. We first identify the major types of the classification problems; then apply several machine learning methods to solve the problems and perform systematic tests on real and artificial datasets. We propose improvement to existing methods. Specifically, we develop a multivariate and a hybrid feature selection method to obtain high classification performance for high dimension classification problems. Using the hybrid feature selection method, we are able to identify small sets of features that give predictive accuracy that is as good as that from other methods which require many more features.
[ { "created": "Fri, 5 Jun 2015 23:37:20 GMT", "version": "v1" } ]
2015-06-18
[ [ "Xu", "Min", "" ] ]
Microarray is a technology to quantitatively monitor the expression of large number of genes in parallel. It has become one of the main tools for global gene expression analysis in molecular biology research in recent years. The large amount of expression data generated by this technology makes the study of certain complex biological problems possible and machine learning methods are playing a crucial role in the analysis process. At present, many machine learning methods have been or have the potential to be applied to major areas of gene expression analysis. These areas include clustering, classification, dynamic modeling and reverse engineering. In this thesis, we focus our work on using machine learning methods to solve the classification problems arising from microarray data. We first identify the major types of the classification problems; then apply several machine learning methods to solve the problems and perform systematic tests on real and artificial datasets. We propose improvement to existing methods. Specifically, we develop a multivariate and a hybrid feature selection method to obtain high classification performance for high dimension classification problems. Using the hybrid feature selection method, we are able to identify small sets of features that give predictive accuracy that is as good as that from other methods which require many more features.
1901.06023
Benjamin Kompa
Benjamin Kompa and Beau Coker
Learning a Generative Model of Cancer Metastasis
null
null
null
null
q-bio.QM cs.LG
http://creativecommons.org/licenses/by-nc-sa/4.0/
We introduce a Unified Disentanglement Network (UFDN) trained on The Cancer Genome Atlas (TCGA). We demonstrate that the UFDN learns a biologically relevant latent space of gene expression data by applying our network to two classification tasks of cancer status and cancer type. Our UFDN specific algorithms perform comparably to random forest methods. The UFDN allows for continuous, partial interpolation between distinct cancer types. Furthermore, we perform an analysis of differentially expressed genes between skin cutaneous melanoma(SKCM) samples and the same samples interpolated into glioblastoma (GBM). We demonstrate that our interpolations learn relevant metagenes that recapitulate known glioblastoma mechanisms and suggest possible starting points for investigations into the metastasis of SKCM into GBM.
[ { "created": "Thu, 17 Jan 2019 22:39:41 GMT", "version": "v1" } ]
2019-01-21
[ [ "Kompa", "Benjamin", "" ], [ "Coker", "Beau", "" ] ]
We introduce a Unified Disentanglement Network (UFDN) trained on The Cancer Genome Atlas (TCGA). We demonstrate that the UFDN learns a biologically relevant latent space of gene expression data by applying our network to two classification tasks of cancer status and cancer type. Our UFDN specific algorithms perform comparably to random forest methods. The UFDN allows for continuous, partial interpolation between distinct cancer types. Furthermore, we perform an analysis of differentially expressed genes between skin cutaneous melanoma(SKCM) samples and the same samples interpolated into glioblastoma (GBM). We demonstrate that our interpolations learn relevant metagenes that recapitulate known glioblastoma mechanisms and suggest possible starting points for investigations into the metastasis of SKCM into GBM.
2201.05259
Andy Goldschmidt
Andy Goldschmidt, James Kunert-Graf, Adrian C. Scott, Zhihao Tan, Aim\'ee M. Dudley, J. Nathan Kutz
Quantifying yeast colony morphologies with feature engineering from time-lapse photography
15 pages; 7 pages text, 8 pages tables and figures; 4 figures, 4 tables
null
10.1038/s41597-022-01340-3
null
q-bio.QM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Baker's yeast (Saccharomyces cerevisiae) is a model organism for studying the morphology that emerges at the scale of multi-cell colonies. To look at how morphology develops, we collect a dataset of time-lapse photographs of the growth of different strains of S. cerevisiae. We discuss the general statistical challenges that arise when using time-lapse photographs to extract time-dependent features. In particular, we show how texture-based feature engineering and representative clustering can be successfully applied to categorize the development of yeast colony morphology using our dataset. The local binary pattern (LBP) from image processing is used to score the surface texture of colonies. This texture score develops along a smooth trajectory during growth. The path taken depends on how the morphology emerges. A hierarchical clustering of the colonies is performed according to their texture development trajectories. The clustering method is designed for practical interpretability; it obtains the best representative colony image for any hierarchical sub-cluster.
[ { "created": "Fri, 14 Jan 2022 00:30:40 GMT", "version": "v1" } ]
2022-06-07
[ [ "Goldschmidt", "Andy", "" ], [ "Kunert-Graf", "James", "" ], [ "Scott", "Adrian C.", "" ], [ "Tan", "Zhihao", "" ], [ "Dudley", "Aimée M.", "" ], [ "Kutz", "J. Nathan", "" ] ]
Baker's yeast (Saccharomyces cerevisiae) is a model organism for studying the morphology that emerges at the scale of multi-cell colonies. To look at how morphology develops, we collect a dataset of time-lapse photographs of the growth of different strains of S. cerevisiae. We discuss the general statistical challenges that arise when using time-lapse photographs to extract time-dependent features. In particular, we show how texture-based feature engineering and representative clustering can be successfully applied to categorize the development of yeast colony morphology using our dataset. The local binary pattern (LBP) from image processing is used to score the surface texture of colonies. This texture score develops along a smooth trajectory during growth. The path taken depends on how the morphology emerges. A hierarchical clustering of the colonies is performed according to their texture development trajectories. The clustering method is designed for practical interpretability; it obtains the best representative colony image for any hierarchical sub-cluster.
1605.03660
Anna Seigal
Anna Seigal, Portia Mira, Bernd Sturmfels, Miriam Barlow
Does Antibiotic Resistance Evolve in Hospitals?
15 pages, 2 figures
null
null
null
q-bio.PE stat.AP
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Nosocomial outbreaks of bacteria are well-documented. Based on these incidents, and the heavy usage of antibiotics in hospitals, it has been assumed that antibiotic resistance evolves in hospital environments. To test this assumption, we studied resistance phenotypes of bacteria collected from patient isolates at a community hospital over a 2.5-year period. A graphical model analysis shows no association between resistance and patient information other than time of arrival. This allows us to focus on time course data. We introduce a Hospital Transmission Model, based on negative binomial delay. Our main contribution is a statistical hypothesis test called the Nosocomial Evolution of Resistance Detector (NERD). It calculates the significance of resistance trends occurring in a hospital. It can inform hospital staff about the effects of various practices and interventions, can help detect clonal outbreaks, and is available as an R-package. We applied the NERD method to each of the 16 antibiotics in the study via 16 hypothesis tests. For 13 of the antibiotics, we found that the hospital environment had no significant effect upon the evolution of resistance; the hospital is merely a piece of the larger picture. The p-values obtained for the other three antibiotics (Cefepime, Ceftazidime and Gentamicin) indicate that particular care should be taken in hospital practices with these antibiotics. One of the three, Ceftazidime, was significant after accounting for multiple hypotheses, indicating a trend of decreased resistance for this drug.
[ { "created": "Thu, 12 May 2016 02:58:39 GMT", "version": "v1" }, { "created": "Mon, 20 Jun 2016 17:23:55 GMT", "version": "v2" }, { "created": "Tue, 18 Oct 2016 21:03:09 GMT", "version": "v3" } ]
2016-10-20
[ [ "Seigal", "Anna", "" ], [ "Mira", "Portia", "" ], [ "Sturmfels", "Bernd", "" ], [ "Barlow", "Miriam", "" ] ]
Nosocomial outbreaks of bacteria are well-documented. Based on these incidents, and the heavy usage of antibiotics in hospitals, it has been assumed that antibiotic resistance evolves in hospital environments. To test this assumption, we studied resistance phenotypes of bacteria collected from patient isolates at a community hospital over a 2.5-year period. A graphical model analysis shows no association between resistance and patient information other than time of arrival. This allows us to focus on time course data. We introduce a Hospital Transmission Model, based on negative binomial delay. Our main contribution is a statistical hypothesis test called the Nosocomial Evolution of Resistance Detector (NERD). It calculates the significance of resistance trends occurring in a hospital. It can inform hospital staff about the effects of various practices and interventions, can help detect clonal outbreaks, and is available as an R-package. We applied the NERD method to each of the 16 antibiotics in the study via 16 hypothesis tests. For 13 of the antibiotics, we found that the hospital environment had no significant effect upon the evolution of resistance; the hospital is merely a piece of the larger picture. The p-values obtained for the other three antibiotics (Cefepime, Ceftazidime and Gentamicin) indicate that particular care should be taken in hospital practices with these antibiotics. One of the three, Ceftazidime, was significant after accounting for multiple hypotheses, indicating a trend of decreased resistance for this drug.
2108.13414
Innokentiy Kastalskiy
Yuliya Tsybina, Innokentiy Kastalskiy, Mikhail Krivonosov, Alexey Zaikin, Victor Kazantsev, Alexander Gorban and Susanna Gordleeva
Astrocytes mediate analogous memory in a multi-layer neuron-astrocytic network
18 pages, 6 figures, 1 table, Appendix
null
null
null
q-bio.NC cs.AI
http://creativecommons.org/licenses/by/4.0/
Modeling the neuronal processes underlying short-term working memory remains the focus of many theoretical studies in neuroscience. Here we propose a mathematical model of spiking neuron network (SNN) demonstrating how a piece of information can be maintained as a robust activity pattern for several seconds then completely disappear if no other stimuli come. Such short-term memory traces are preserved due to the activation of astrocytes accompanying the SNN. The astrocytes exhibit calcium transients at a time scale of seconds. These transients further modulate the efficiency of synaptic transmission and, hence, the firing rate of neighboring neurons at diverse timescales through gliotransmitter release. We show how such transients continuously encode frequencies of neuronal discharges and provide robust short-term storage of analogous information. This kind of short-term memory can keep operative information for seconds, then completely forget it to avoid overlapping with forthcoming patterns. The SNN is inter-connected with the astrocytic layer by local inter-cellular diffusive connections. The astrocytes are activated only when the neighboring neurons fire quite synchronously, e.g. when an information pattern is loaded. For illustration, we took greyscale photos of people's faces where the grey level encoded the level of applied current stimulating the neurons. The astrocyte feedback modulates (facilitates) synaptic transmission by varying the frequency of neuronal firing. We show how arbitrary patterns can be loaded, then stored for a certain interval of time, and retrieved if the appropriate clue pattern is applied to the input.
[ { "created": "Tue, 31 Aug 2021 16:13:15 GMT", "version": "v1" } ]
2021-09-01
[ [ "Tsybina", "Yuliya", "" ], [ "Kastalskiy", "Innokentiy", "" ], [ "Krivonosov", "Mikhail", "" ], [ "Zaikin", "Alexey", "" ], [ "Kazantsev", "Victor", "" ], [ "Gorban", "Alexander", "" ], [ "Gordleeva", "Susanna"...
Modeling the neuronal processes underlying short-term working memory remains the focus of many theoretical studies in neuroscience. Here we propose a mathematical model of spiking neuron network (SNN) demonstrating how a piece of information can be maintained as a robust activity pattern for several seconds then completely disappear if no other stimuli come. Such short-term memory traces are preserved due to the activation of astrocytes accompanying the SNN. The astrocytes exhibit calcium transients at a time scale of seconds. These transients further modulate the efficiency of synaptic transmission and, hence, the firing rate of neighboring neurons at diverse timescales through gliotransmitter release. We show how such transients continuously encode frequencies of neuronal discharges and provide robust short-term storage of analogous information. This kind of short-term memory can keep operative information for seconds, then completely forget it to avoid overlapping with forthcoming patterns. The SNN is inter-connected with the astrocytic layer by local inter-cellular diffusive connections. The astrocytes are activated only when the neighboring neurons fire quite synchronously, e.g. when an information pattern is loaded. For illustration, we took greyscale photos of people's faces where the grey level encoded the level of applied current stimulating the neurons. The astrocyte feedback modulates (facilitates) synaptic transmission by varying the frequency of neuronal firing. We show how arbitrary patterns can be loaded, then stored for a certain interval of time, and retrieved if the appropriate clue pattern is applied to the input.
1207.4968
Chad M. Topaz
Chad M. Topaz, Maria R. D'Orsogna, Leah Edelstein-Keshet and Andrew J. Bernoff
Locust Dynamics: Behavioral Phase Change and Swarming
Main text plus figures and supporting information; to appear in PLOS Computational Biology
null
10.1371/journal.pcbi.1002642
null
q-bio.QM nlin.PS
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Locusts exhibit two interconvertible behavioral phases, solitarious and gregarious. While solitarious individuals are repelled from other locusts, gregarious insects are attracted to conspecifics and can form large aggregations such as marching hopper bands. Numerous biological experiments at the individual level have shown how crowding biases conversion towards the gregarious form. To understand the formation of marching locust hopper bands, we study phase change at the collective level, and in a quantitative framework. Specifically, we construct a partial integrodifferential equation model incorporating the interplay between phase change and spatial movement at the individual level in order to predict the dynamics of hopper band formation at the population level. Stability analysis of our model reveals conditions for an outbreak, characterized by a large scale transition to the gregarious phase. A model reduction enables quantification of the temporal dynamics of each phase, of the proportion of the population that will eventually gregarize, and of the time scale for this to occur. Numerical simulations provide descriptions of the aggregation's structure and reveal transiently traveling clumps of gregarious insects. Our predictions of aggregation and mass gregarization suggest several possible future biological experiments.
[ { "created": "Fri, 20 Jul 2012 14:45:48 GMT", "version": "v1" } ]
2015-06-05
[ [ "Topaz", "Chad M.", "" ], [ "D'Orsogna", "Maria R.", "" ], [ "Edelstein-Keshet", "Leah", "" ], [ "Bernoff", "Andrew J.", "" ] ]
Locusts exhibit two interconvertible behavioral phases, solitarious and gregarious. While solitarious individuals are repelled from other locusts, gregarious insects are attracted to conspecifics and can form large aggregations such as marching hopper bands. Numerous biological experiments at the individual level have shown how crowding biases conversion towards the gregarious form. To understand the formation of marching locust hopper bands, we study phase change at the collective level, and in a quantitative framework. Specifically, we construct a partial integrodifferential equation model incorporating the interplay between phase change and spatial movement at the individual level in order to predict the dynamics of hopper band formation at the population level. Stability analysis of our model reveals conditions for an outbreak, characterized by a large scale transition to the gregarious phase. A model reduction enables quantification of the temporal dynamics of each phase, of the proportion of the population that will eventually gregarize, and of the time scale for this to occur. Numerical simulations provide descriptions of the aggregation's structure and reveal transiently traveling clumps of gregarious insects. Our predictions of aggregation and mass gregarization suggest several possible future biological experiments.
1004.3175
Eva Kranz
Eva Kranz
Structural Stability and Immunogenicity of Peptides
null
null
null
null
q-bio.BM cs.CG
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
We investigated the role of peptide folding stability in peptide immunogenicity. It was the aim of this thesis to implement a stability criterion based on energy computations using an AMBER force field, and to test the implementation with a large dataset.
[ { "created": "Mon, 19 Apr 2010 12:43:55 GMT", "version": "v1" } ]
2010-04-20
[ [ "Kranz", "Eva", "" ] ]
We investigated the role of peptide folding stability in peptide immunogenicity. It was the aim of this thesis to implement a stability criterion based on energy computations using an AMBER force field, and to test the implementation with a large dataset.
1303.3287
Michael Okun
Michael Okun, Pierre Yger and Kenneth D. Harris
How (not) to assess the importance of correlations for the matching of spontaneous and evoked activity: a response
null
null
null
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
A response to a comment of Fiser et al.
[ { "created": "Wed, 13 Mar 2013 20:39:44 GMT", "version": "v1" } ]
2013-03-15
[ [ "Okun", "Michael", "" ], [ "Yger", "Pierre", "" ], [ "Harris", "Kenneth D.", "" ] ]
A response to a comment of Fiser et al.
1605.00021
Philipp Boersch-Supan
Philipp H Boersch-Supan, Sadie J Ryan, Leah R Johnson
deBInfer: Bayesian inference for dynamical models of biological systems in R
null
Methods in Ecology and Evolution 8 (2017) 511-518
10.1111/2041-210X.12679
null
q-bio.QM stat.AP
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
1. Understanding the mechanisms underlying biological systems, and ultimately, predicting their behaviours in a changing environment requires overcoming the gap between mathematical models and experimental or observational data. Differential equations (DEs) are commonly used to model the temporal evolution of biological systems, but statistical methods for comparing DE models to data and for parameter inference are relatively poorly developed. This is especially problematic in the context of biological systems where observations are often noisy and only a small number of time points may be available. 2. The Bayesian approach offers a coherent framework for parameter inference that can account for multiple sources of uncertainty, while making use of prior information. It offers a rigorous methodology for parameter inference, as well as modelling the link between unobservable model states and parameters, and observable quantities. 3. We present deBInfer, a package for the statistical computing environment R, implementing a Bayesian framework for parameter inference in DEs. deBInfer provides templates for the DE model, the observation model and data likelihood, and the model parameters and their prior distributions. A Markov chain Monte Carlo (MCMC) procedure processes these inputs to estimate the posterior distributions of the parameters and any derived quantities, including the model trajectories. Further functionality is provided to facilitate MCMC diagnostics, the visualisation of the posterior distributions of model parameters and trajectories, and the use of compiled DE models for improved computational performance. 4. The templating approach makes deBInfer applicable to a wide range of DE models. We demonstrate its application to ordinary and delay DE models for population ecology.
[ { "created": "Fri, 29 Apr 2016 20:41:31 GMT", "version": "v1" }, { "created": "Thu, 9 Jun 2016 03:24:21 GMT", "version": "v2" }, { "created": "Sat, 15 Oct 2016 13:48:45 GMT", "version": "v3" } ]
2017-04-19
[ [ "Boersch-Supan", "Philipp H", "" ], [ "Ryan", "Sadie J", "" ], [ "Johnson", "Leah R", "" ] ]
1. Understanding the mechanisms underlying biological systems, and ultimately, predicting their behaviours in a changing environment requires overcoming the gap between mathematical models and experimental or observational data. Differential equations (DEs) are commonly used to model the temporal evolution of biological systems, but statistical methods for comparing DE models to data and for parameter inference are relatively poorly developed. This is especially problematic in the context of biological systems where observations are often noisy and only a small number of time points may be available. 2. The Bayesian approach offers a coherent framework for parameter inference that can account for multiple sources of uncertainty, while making use of prior information. It offers a rigorous methodology for parameter inference, as well as modelling the link between unobservable model states and parameters, and observable quantities. 3. We present deBInfer, a package for the statistical computing environment R, implementing a Bayesian framework for parameter inference in DEs. deBInfer provides templates for the DE model, the observation model and data likelihood, and the model parameters and their prior distributions. A Markov chain Monte Carlo (MCMC) procedure processes these inputs to estimate the posterior distributions of the parameters and any derived quantities, including the model trajectories. Further functionality is provided to facilitate MCMC diagnostics, the visualisation of the posterior distributions of model parameters and trajectories, and the use of compiled DE models for improved computational performance. 4. The templating approach makes deBInfer applicable to a wide range of DE models. We demonstrate its application to ordinary and delay DE models for population ecology.
2107.03086
Jakob Lykke Andersen
Jakob L. Andersen, Christoph Flamm, Daniel Merkle, Peter F. Stadler
Defining Autocatalysis in Chemical Reaction Networks
null
null
null
null
q-bio.MN cs.DM
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Autocatalysis is a deceptively simple concept, referring to the situation that a chemical species $X$ catalyzes its own formation. From the perspective of chemical kinetics, autocatalysts show a regime of super-linear growth. Given a chemical reaction network, however, it is not at all straightforward to identify species that are autocatalytic in the sense that there is a sub-network that takes $X$ as input and produces more than one copy of $X$ as output. The difficulty arises from the need to distinguish autocatalysis e.g. from the superposition of a cycle that consumes and produces equal amounts of $X$ and a pathway that produces $X$. To deal with this issue, a number of competing notions, such as exclusive autocatalysis and autocatalytic cycles, have been introduced. A closer inspection of concepts and their usage by different authors shows, however, that subtle differences in the definitions often makes conceptually matching ideas difficult to bring together formally. In this contribution we make some of the available approaches comparable by translating them into a common formal framework that uses integer hyperflows as a basis to study autocatalysis in large chemical reaction networks. As an application we investigate the prevalence of autocatalysis in metabolic networks.
[ { "created": "Wed, 7 Jul 2021 09:11:28 GMT", "version": "v1" } ]
2021-07-08
[ [ "Andersen", "Jakob L.", "" ], [ "Flamm", "Christoph", "" ], [ "Merkle", "Daniel", "" ], [ "Stadler", "Peter F.", "" ] ]
Autocatalysis is a deceptively simple concept, referring to the situation that a chemical species $X$ catalyzes its own formation. From the perspective of chemical kinetics, autocatalysts show a regime of super-linear growth. Given a chemical reaction network, however, it is not at all straightforward to identify species that are autocatalytic in the sense that there is a sub-network that takes $X$ as input and produces more than one copy of $X$ as output. The difficulty arises from the need to distinguish autocatalysis e.g. from the superposition of a cycle that consumes and produces equal amounts of $X$ and a pathway that produces $X$. To deal with this issue, a number of competing notions, such as exclusive autocatalysis and autocatalytic cycles, have been introduced. A closer inspection of concepts and their usage by different authors shows, however, that subtle differences in the definitions often makes conceptually matching ideas difficult to bring together formally. In this contribution we make some of the available approaches comparable by translating them into a common formal framework that uses integer hyperflows as a basis to study autocatalysis in large chemical reaction networks. As an application we investigate the prevalence of autocatalysis in metabolic networks.
2006.05504
Clement de Chaisemartin
Cl\'ement de Chaisemartin, Luc de Chaisemartin
BCG vaccination in infancy does not protect against COVID-19. Evidence from a natural experiment in Sweden
null
null
null
null
q-bio.PE
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The Bacille Calmette-Gu\'erin (BCG) tuberculosis vaccine has immunity benefits against respiratory infections. Accordingly, it has been hypothesized that it may have a protective effect against COVID-19. Recent research found that countries with universal Bacillus Calmette-Gu\'erin (BCG) childhood vaccination policies tend to be less affected by the COVID-19 pandemic. However, such ecological studies are biased by numerous confounders. Instead, this paper takes advantage of a rare nationwide natural experiment that took place in Sweden in 1975, where discontinuation of newborns BCG vaccination led to a dramatic fall of the BCG coverage rate from 92% to 2% , thus allowing us to estimate the BCG's effect without all the biases associated with cross-country comparisons. Numbers of COVID-19 cases and hospitalizations were recorded for birth cohorts born just before and just after that change, representing 1,026,304 and 1,018,544 individuals, respectively. We used regression discontinuity to assess the effect of BCG vaccination on Covid-19 related outcomes. This method used on such a large population allows for a high precision that would be hard to achieve using a classical randomized controlled trial. The odds ratio for Covid-19 cases and Covid-19 related hospitalizations were 0.9997 (CI95: [0.8002-1.1992]) and 1.1931 (CI95: [0.7558-1.6304]), respectively. We can thus reject with 95\% confidence that universal BCG vaccination reduces the number of cases by more than 20% and the number of hospitalizations by more than 24%. While the effect of a recent vaccination must be evaluated, we provide strong evidence that receiving the BCG vaccine at birth does not have a protective effect against COVID-19.
[ { "created": "Mon, 8 Jun 2020 16:41:13 GMT", "version": "v1" }, { "created": "Mon, 22 Jun 2020 23:50:43 GMT", "version": "v2" } ]
2020-06-24
[ [ "de Chaisemartin", "Clément", "" ], [ "de Chaisemartin", "Luc", "" ] ]
The Bacille Calmette-Gu\'erin (BCG) tuberculosis vaccine has immunity benefits against respiratory infections. Accordingly, it has been hypothesized that it may have a protective effect against COVID-19. Recent research found that countries with universal Bacillus Calmette-Gu\'erin (BCG) childhood vaccination policies tend to be less affected by the COVID-19 pandemic. However, such ecological studies are biased by numerous confounders. Instead, this paper takes advantage of a rare nationwide natural experiment that took place in Sweden in 1975, where discontinuation of newborns BCG vaccination led to a dramatic fall of the BCG coverage rate from 92% to 2% , thus allowing us to estimate the BCG's effect without all the biases associated with cross-country comparisons. Numbers of COVID-19 cases and hospitalizations were recorded for birth cohorts born just before and just after that change, representing 1,026,304 and 1,018,544 individuals, respectively. We used regression discontinuity to assess the effect of BCG vaccination on Covid-19 related outcomes. This method used on such a large population allows for a high precision that would be hard to achieve using a classical randomized controlled trial. The odds ratio for Covid-19 cases and Covid-19 related hospitalizations were 0.9997 (CI95: [0.8002-1.1992]) and 1.1931 (CI95: [0.7558-1.6304]), respectively. We can thus reject with 95\% confidence that universal BCG vaccination reduces the number of cases by more than 20% and the number of hospitalizations by more than 24%. While the effect of a recent vaccination must be evaluated, we provide strong evidence that receiving the BCG vaccine at birth does not have a protective effect against COVID-19.
1504.02265
Tiago Simas
Tiago Simas, Mario Chavez, Pablo Rodriguez, and Albert Diaz-Guilera
An Algebraic Topological Method for Multimodal Brain Networks Comparisons
null
null
null
null
q-bio.NC nlin.AO physics.soc-ph
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Understanding brain connectivity has become one of the most important issues in neuroscience. But connectivity data can reflect either the functional relationships of the brain activities or the anatomical properties between brain areas. Although one should expect a clear relationship between both representations it is not straightforward. Here we present a formalism that allows for the comparison of structural (DTI) and functional (fMRI) networks by embedding both in a common metric space. In this metric space one can then find for which regions the two networks are significantly different. Our methodology can be used not only to compare multimodal networks but also to extract statistically significant aggregated networks of a set of subjects. Actually, we use this procedure to aggregate a set of functional (fMRI) networks from different subjects in an aggregated network that is compared with the anatomical (DTI) connectivity. The comparison of the aggregated network reveals some features that are not observed when the comparison is done with the classical averaged network.
[ { "created": "Thu, 9 Apr 2015 11:32:44 GMT", "version": "v1" }, { "created": "Fri, 10 Apr 2015 17:04:25 GMT", "version": "v2" } ]
2015-04-13
[ [ "Simas", "Tiago", "" ], [ "Chavez", "Mario", "" ], [ "Rodriguez", "Pablo", "" ], [ "Diaz-Guilera", "Albert", "" ] ]
Understanding brain connectivity has become one of the most important issues in neuroscience. But connectivity data can reflect either the functional relationships of the brain activities or the anatomical properties between brain areas. Although one should expect a clear relationship between both representations it is not straightforward. Here we present a formalism that allows for the comparison of structural (DTI) and functional (fMRI) networks by embedding both in a common metric space. In this metric space one can then find for which regions the two networks are significantly different. Our methodology can be used not only to compare multimodal networks but also to extract statistically significant aggregated networks of a set of subjects. Actually, we use this procedure to aggregate a set of functional (fMRI) networks from different subjects in an aggregated network that is compared with the anatomical (DTI) connectivity. The comparison of the aggregated network reveals some features that are not observed when the comparison is done with the classical averaged network.
1906.06163
Mareike Fischer
Mareike Fischer and Andrew Francis
How tree-based is my network? Proximity measures for unrooted phylogenetic networks
null
null
null
null
q-bio.PE math.CO
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Tree-based networks are a class of phylogenetic networks that attempt to formally capture what is meant by "tree-like" evolution. A given non-tree-based phylogenetic network, however, might appear to be very close to being tree-based, or very far. In this paper, we formalise the notion of proximity to tree-based for unrooted phylogenetic networks, with a range of proximity measures. These measures also provide characterisations of tree-based networks. One measure in particular, related to the nearest neighbour interchange operation, allows us to define the notion of "tree-based rank". This provides a subclassification within the tree-based networks themselves, identifying those networks that are "very" tree-based. Finally, we prove results relating tree-based networks in the settings of rooted and unrooted phylogenetic networks, showing effectively that an unrooted network is tree-based if and only if it can be made a rooted tree-based network by rooting it and orienting the edges appropriately. This leads to a clarification of the contrasting decision problems for tree-based networks, which are polynomial in the rooted case but NP complete in the unrooted.
[ { "created": "Fri, 14 Jun 2019 12:28:56 GMT", "version": "v1" }, { "created": "Mon, 24 Jun 2019 05:22:27 GMT", "version": "v2" }, { "created": "Sun, 24 Nov 2019 20:25:11 GMT", "version": "v3" }, { "created": "Thu, 16 Jan 2020 09:55:15 GMT", "version": "v4" } ]
2020-01-17
[ [ "Fischer", "Mareike", "" ], [ "Francis", "Andrew", "" ] ]
Tree-based networks are a class of phylogenetic networks that attempt to formally capture what is meant by "tree-like" evolution. A given non-tree-based phylogenetic network, however, might appear to be very close to being tree-based, or very far. In this paper, we formalise the notion of proximity to tree-based for unrooted phylogenetic networks, with a range of proximity measures. These measures also provide characterisations of tree-based networks. One measure in particular, related to the nearest neighbour interchange operation, allows us to define the notion of "tree-based rank". This provides a subclassification within the tree-based networks themselves, identifying those networks that are "very" tree-based. Finally, we prove results relating tree-based networks in the settings of rooted and unrooted phylogenetic networks, showing effectively that an unrooted network is tree-based if and only if it can be made a rooted tree-based network by rooting it and orienting the edges appropriately. This leads to a clarification of the contrasting decision problems for tree-based networks, which are polynomial in the rooted case but NP complete in the unrooted.
2003.03083
Ramses Djidjou-Demasse
Rams\`es Djidjou-Demasse (IRD), Samuel Alizon (MIVEGEC), Mircea T. Sofonea (MIVEGEC)
Within-host bacterial growth dynamics with both mutation and horizontal gene transfer
null
null
null
null
q-bio.PE math.DS math.FA
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The evolution and emergence of antibiotic resistance is a major public health concern. The understanding of the within-host microbial dynamics combining mutational processes, horizontal gene transfer and resource consumption, is one of the keys to solve this problem. We analyze a generic model to rigorously describe interactions dynamics of four bacterial strains: one fully sensitive to the drug, one with mutational resistance only, one with plasmidic resistance only and one with both resistances. By dening thresholds numbers (i.e. each strain's eective reproduction and each strain's transition thresholds numbers), we rst express conditions for the existence of non trivial stationary states. We nd that these thresholds mainly depend on bacteria quantitative traits such as nutrient consumption ability, growth conversion factor, death rate, mutation (forward or reverse) and segregational loss of plasmid probabilities (for plasmid-bearing strains). Next, with respect to the order in the set of strain's eective reproduction thresholds numbers, we show that the qualitative dynamics of the model range from the extinction of all strains, coexistence of sensitive and mutational resistance strains to the coexistence of all strains at equilibrium. Finally, we go through some applications of our general analysis depending on whether bacteria strains interact without or with drug action (either cytostatic or cytotoxic).
[ { "created": "Fri, 6 Mar 2020 08:56:05 GMT", "version": "v1" } ]
2020-03-09
[ [ "Djidjou-Demasse", "Ramsès", "", "IRD" ], [ "Alizon", "Samuel", "", "MIVEGEC" ], [ "Sofonea", "Mircea T.", "", "MIVEGEC" ] ]
The evolution and emergence of antibiotic resistance is a major public health concern. The understanding of the within-host microbial dynamics combining mutational processes, horizontal gene transfer and resource consumption, is one of the keys to solve this problem. We analyze a generic model to rigorously describe interactions dynamics of four bacterial strains: one fully sensitive to the drug, one with mutational resistance only, one with plasmidic resistance only and one with both resistances. By dening thresholds numbers (i.e. each strain's eective reproduction and each strain's transition thresholds numbers), we rst express conditions for the existence of non trivial stationary states. We nd that these thresholds mainly depend on bacteria quantitative traits such as nutrient consumption ability, growth conversion factor, death rate, mutation (forward or reverse) and segregational loss of plasmid probabilities (for plasmid-bearing strains). Next, with respect to the order in the set of strain's eective reproduction thresholds numbers, we show that the qualitative dynamics of the model range from the extinction of all strains, coexistence of sensitive and mutational resistance strains to the coexistence of all strains at equilibrium. Finally, we go through some applications of our general analysis depending on whether bacteria strains interact without or with drug action (either cytostatic or cytotoxic).
1501.03359
Raoul Wadhwa
Raoul R. Wadhwa, Laszlo Zalanyi, Judit Szente, Laszlo Negyessy, Peter Erdi
Stochastic kinetics of the circular gene hypothesis: feedback effects and protein fluctuations
16 pages, 6 figures
Math.Comput.Simul. 133 (2017) 326-336
10.1016/j.matcom.2015.08.006
null
q-bio.MN
http://creativecommons.org/licenses/by-nc-sa/4.0/
Stochastic kinetic models of genetic expression are able to describe protein fluctuations. A comparative study of the canonical and a feedback model is given here by using stochastic simulation methods. The feedback model is skeleton model implementation of the circular gene hypothesis, which suggests the interaction between the synthesis and degradation of mRNA. Qualitative and quantitative changes in the shape and in the numerical characteristics of the stationary distributions suggest that more combined experimental and theoretical studies should be done to uncover the details of the kinetic mechanism of gene expression.
[ { "created": "Mon, 12 Jan 2015 23:18:14 GMT", "version": "v1" }, { "created": "Tue, 11 Aug 2015 18:38:17 GMT", "version": "v2" } ]
2018-09-06
[ [ "Wadhwa", "Raoul R.", "" ], [ "Zalanyi", "Laszlo", "" ], [ "Szente", "Judit", "" ], [ "Negyessy", "Laszlo", "" ], [ "Erdi", "Peter", "" ] ]
Stochastic kinetic models of genetic expression are able to describe protein fluctuations. A comparative study of the canonical and a feedback model is given here by using stochastic simulation methods. The feedback model is skeleton model implementation of the circular gene hypothesis, which suggests the interaction between the synthesis and degradation of mRNA. Qualitative and quantitative changes in the shape and in the numerical characteristics of the stationary distributions suggest that more combined experimental and theoretical studies should be done to uncover the details of the kinetic mechanism of gene expression.
1107.5338
Elisa Loza-Reyes Dr
Elisa Loza-Reyes, Merrilee Hurn and Tony Robinson
Classification of molecular sequence data using Bayesian phylogenetic mixture models
null
null
null
null
q-bio.QM stat.AP
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Rate variation among the sites of a molecular sequence is commonly found in applications of phylogenetic inference. Several approaches exist to account for this feature but they do not usually enable the investigator to pinpoint the sites that evolve under one or another rate of evolution in a straightforward manner. The focus is on Bayesian phylogenetic mixture models, augmented with allocation variables, as tools for site classification and quantification of classification uncertainty. The method does not rely on prior knowledge of site membership to classes or even the number of classes. Furthermore, it does not require correlated sites to be next to one another in the sequence alignment, unlike some phylogenetic hidden Markov or change-point models. In the approach presented, model selection on the number and type of mixture components is conducted ahead of both model estimation and site classification; the steppingstone sampler (SS) is used to select amongst competing mixture models. Example applications of simulated data and mitochondrial DNA of primates illustrate site classification via 'augmented' Bayesian phylogenetic mixtures. In both examples, all mixtures outperform commonly-used models of among-site rate variation and models that do not account for rate heterogeneity. The examples further demonstrate how site classification is readily available from the analysis output. The method is directly relevant to the choice of partitions in Bayesian phylogenetics, and its application may lead to the discovery of structure not otherwise recognised in a molecular sequence alignment. Computational aspects of Bayesian phylogenetic model estimation are discussed, including the use of simple Markov chain Monte Carlo (MCMC) moves that mix efficiently without tempering the chains.
[ { "created": "Tue, 26 Jul 2011 21:24:16 GMT", "version": "v1" }, { "created": "Tue, 28 Aug 2012 17:29:49 GMT", "version": "v2" }, { "created": "Mon, 8 Apr 2013 10:51:23 GMT", "version": "v3" }, { "created": "Tue, 9 Apr 2013 07:40:36 GMT", "version": "v4" }, { "cre...
2013-05-23
[ [ "Loza-Reyes", "Elisa", "" ], [ "Hurn", "Merrilee", "" ], [ "Robinson", "Tony", "" ] ]
Rate variation among the sites of a molecular sequence is commonly found in applications of phylogenetic inference. Several approaches exist to account for this feature but they do not usually enable the investigator to pinpoint the sites that evolve under one or another rate of evolution in a straightforward manner. The focus is on Bayesian phylogenetic mixture models, augmented with allocation variables, as tools for site classification and quantification of classification uncertainty. The method does not rely on prior knowledge of site membership to classes or even the number of classes. Furthermore, it does not require correlated sites to be next to one another in the sequence alignment, unlike some phylogenetic hidden Markov or change-point models. In the approach presented, model selection on the number and type of mixture components is conducted ahead of both model estimation and site classification; the steppingstone sampler (SS) is used to select amongst competing mixture models. Example applications of simulated data and mitochondrial DNA of primates illustrate site classification via 'augmented' Bayesian phylogenetic mixtures. In both examples, all mixtures outperform commonly-used models of among-site rate variation and models that do not account for rate heterogeneity. The examples further demonstrate how site classification is readily available from the analysis output. The method is directly relevant to the choice of partitions in Bayesian phylogenetics, and its application may lead to the discovery of structure not otherwise recognised in a molecular sequence alignment. Computational aspects of Bayesian phylogenetic model estimation are discussed, including the use of simple Markov chain Monte Carlo (MCMC) moves that mix efficiently without tempering the chains.
2305.18089
Natalie Maus
Natalie Maus and Yimeng Zeng and Daniel Allen Anderson and Phillip Maffettone and Aaron Solomon and Peyton Greenside and Osbert Bastani and Jacob R. Gardner
Inverse Protein Folding Using Deep Bayesian Optimization
null
null
null
null
q-bio.BM cs.LG
http://creativecommons.org/licenses/by/4.0/
Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as a conditional generative modelling problem, where a large generative model over protein sequences is conditioned on the backbone. While these generative models very rapidly produce promising sequences, independent draws from generative models may fail to produce sequences that reliably fold to the correct backbone. Furthermore, it is challenging to adapt pure generative approaches to other settings, e.g., when constraints exist. In this paper, we cast the problem of improving generated inverse folds as an optimization problem that we solve using recent advances in "deep" or "latent space" Bayesian optimization. Our approach consistently produces protein sequences with greatly reduced structural error to the target backbone structure as measured by TM score and RMSD while using fewer computational resources. Additionally, we demonstrate other advantages of an optimization-based approach to the problem, such as the ability to handle constraints.
[ { "created": "Thu, 25 May 2023 02:15:25 GMT", "version": "v1" } ]
2023-05-30
[ [ "Maus", "Natalie", "" ], [ "Zeng", "Yimeng", "" ], [ "Anderson", "Daniel Allen", "" ], [ "Maffettone", "Phillip", "" ], [ "Solomon", "Aaron", "" ], [ "Greenside", "Peyton", "" ], [ "Bastani", "Osbert", "" ...
Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as a conditional generative modelling problem, where a large generative model over protein sequences is conditioned on the backbone. While these generative models very rapidly produce promising sequences, independent draws from generative models may fail to produce sequences that reliably fold to the correct backbone. Furthermore, it is challenging to adapt pure generative approaches to other settings, e.g., when constraints exist. In this paper, we cast the problem of improving generated inverse folds as an optimization problem that we solve using recent advances in "deep" or "latent space" Bayesian optimization. Our approach consistently produces protein sequences with greatly reduced structural error to the target backbone structure as measured by TM score and RMSD while using fewer computational resources. Additionally, we demonstrate other advantages of an optimization-based approach to the problem, such as the ability to handle constraints.
1209.6607
Pamela Reinagel
Kate S. Gaudry and Pamela Reinagel
Evidence for an additive inhibitory component of contrast adaptation
null
null
null
null
q-bio.NC
http://arxiv.org/licenses/nonexclusive-distrib/1.0/
The latency of visual responses generally decreases as contrast increases. Recording in the lateral geniculate nucleus (LGN), we find that response latency increases with increasing contrast in ON cells for some visual stimuli. We propose that this surprising latency trend can be explained if ON cells rest further from threshold at higher contrasts. Indeed, while contrast changes caused a combination of multiplicative gain change and additive shift in LGN cells, the additive shift predominated in ON cells. Modeling results supported this theory: the ON cell latency trend was found when the distance-to-threshold shifted with contrast, but not when distance-to-threshold was fixed across contrasts. In the model, latency also increases as surround-to-center ratios increase, which has been shown to occur at higher contrasts. We propose that higher-contrast full-field stimuli can evoke more surround inhibition, shifting the potential further from spiking threshold and thereby increasing response latency.
[ { "created": "Fri, 28 Sep 2012 18:59:30 GMT", "version": "v1" } ]
2012-10-01
[ [ "Gaudry", "Kate S.", "" ], [ "Reinagel", "Pamela", "" ] ]
The latency of visual responses generally decreases as contrast increases. Recording in the lateral geniculate nucleus (LGN), we find that response latency increases with increasing contrast in ON cells for some visual stimuli. We propose that this surprising latency trend can be explained if ON cells rest further from threshold at higher contrasts. Indeed, while contrast changes caused a combination of multiplicative gain change and additive shift in LGN cells, the additive shift predominated in ON cells. Modeling results supported this theory: the ON cell latency trend was found when the distance-to-threshold shifted with contrast, but not when distance-to-threshold was fixed across contrasts. In the model, latency also increases as surround-to-center ratios increase, which has been shown to occur at higher contrasts. We propose that higher-contrast full-field stimuli can evoke more surround inhibition, shifting the potential further from spiking threshold and thereby increasing response latency.
2403.19718
Piotr Ludynia
Micha{\l} Szafarczyk, Piotr Ludynia, Przemys{\l}aw Kukla
A Python library for efficient computation of molecular fingerprints
56 pages
null
null
null
q-bio.QM cs.LG
http://creativecommons.org/licenses/by/4.0/
Machine learning solutions are very popular in the field of chemoinformatics, where they have numerous applications, such as novel drug discovery or molecular property prediction. Molecular fingerprints are algorithms commonly used for vectorizing chemical molecules as a part of preprocessing in this kind of solution. However, despite their popularity, there are no libraries that implement them efficiently for large datasets, utilizing modern, multicore architectures. On top of that, most of them do not provide the user with an intuitive interface, or one that would be compatible with other machine learning tools. In this project, we created a Python library that computes molecular fingerprints efficiently and delivers an interface that is comprehensive and enables the user to easily incorporate the library into their existing machine learning workflow. The library enables the user to perform computation on large datasets using parallelism. Because of that, it is possible to perform such tasks as hyperparameter tuning in a reasonable time. We describe tools used in implementation of the library and asses its time performance on example benchmark datasets. Additionally, we show that using molecular fingerprints we can achieve results comparable to state-of-the-art ML solutions even with very simple models.
[ { "created": "Wed, 27 Mar 2024 19:02:09 GMT", "version": "v1" } ]
2024-04-01
[ [ "Szafarczyk", "Michał", "" ], [ "Ludynia", "Piotr", "" ], [ "Kukla", "Przemysław", "" ] ]
Machine learning solutions are very popular in the field of chemoinformatics, where they have numerous applications, such as novel drug discovery or molecular property prediction. Molecular fingerprints are algorithms commonly used for vectorizing chemical molecules as a part of preprocessing in this kind of solution. However, despite their popularity, there are no libraries that implement them efficiently for large datasets, utilizing modern, multicore architectures. On top of that, most of them do not provide the user with an intuitive interface, or one that would be compatible with other machine learning tools. In this project, we created a Python library that computes molecular fingerprints efficiently and delivers an interface that is comprehensive and enables the user to easily incorporate the library into their existing machine learning workflow. The library enables the user to perform computation on large datasets using parallelism. Because of that, it is possible to perform such tasks as hyperparameter tuning in a reasonable time. We describe tools used in implementation of the library and asses its time performance on example benchmark datasets. Additionally, we show that using molecular fingerprints we can achieve results comparable to state-of-the-art ML solutions even with very simple models.