Daily Papers

We present an online reinforcement learning (RL) algorithm for fine-tuning flow-matching policies in continuous-control problems. Our key insight is to view RL-based policy improvement as a transport of action densities towards regions of high reward, which naturally aligns with the transport formulation of flow matching models. Prior methods either approximate the current or optimal policy distribution or resort to distillation, which introduces biased gradients or sacrifices multimodal modeling capacity. In contrast, our approach for RL with Density Transport, which we name RLDT, constructs a transport field from a maximum-entropy RL objective using Stein Variational Gradient Descent (SVGD). Then, it finetunes a pretrained flow matching policy to align with this field. Training with this alignment objective is nontrivial because flow-matching policies generate actions via a multi-step process, making direct gradient-based optimization challenging. To overcome this challenge and stabilize training, we approximate policy actions from intermediate denoising steps via expected-target estimation. This allows the transport-field update to propagate into the network parameters without unstable backpropagation through time. Experimental results demonstrate that RLDT outperforms competitive baselines in reward quality and convergence speed. This performance holds across diverse continuous-control tasks, encompassing both dense and sparse rewards, as well as state- and vision-based long-horizon robot manipulation. The project webpage is https://rpfey.github.io/rldt/{https://rpfey.github.io/rldt/}.

Diffusion models are commonly interpreted as learning the score function, i.e., the gradient of the log-density of noisy data. However, this assumption implies that the target of learning is a conservative vector field, which is not enforced by the neural network architectures used in practice. We present numerical evidence that trained diffusion networks violate both integral and differential constraints required of true score functions, demonstrating that the learned vector fields are not conservative. Despite this, the models perform remarkably well as generative mechanisms. To explain this apparent paradox, we advocate a new theoretical perspective: diffusion training is better understood as flow matching to the velocity field of a Wasserstein Gradient Flow (WGF), rather than as score learning for a reverse-time stochastic differential equation. Under this view, the "probability flow" arises naturally from the WGF framework, eliminating the need to invoke reverse-time SDE theory and clarifying why generative sampling remains successful even when the neural vector field is not a true score. We further show that non-conservative errors from neural approximation do not necessarily harm density transport. Our results advocate for adopting the WGF perspective as a principled, elegant, and theoretically grounded framework for understanding diffusion generative models.

Multi-agent systems play a central role in area coverage tasks across search-and-rescue, environmental monitoring, and precision agriculture. Achieving non-uniform coverage, where spatial priorities vary across the domain, requires coordinating agents while respecting dynamic and communication constraints. Density-driven approaches can distribute agents according to a prescribed reference density, but existing methods do not ensure connectivity. This limitation often leads to communication loss, reduced coordination, and degraded coverage performance. This letter introduces a connectivity-preserving extension of the Density-Driven Optimal Control (D2OC) framework. The coverage objective, defined using the Wasserstein distance between the agent distribution and the reference density, admits a convex quadratic program formulation. Communication constraints are incorporated through a smooth connectivity penalty, which maintains strict convexity, supports distributed implementation, and preserves inter-agent communication without imposing rigid formations. Simulation studies show that the proposed method consistently maintains connectivity, improves convergence speed, and enhances non-uniform coverage quality compared with density-driven schemes that do not incorporate explicit connectivity considerations.

This paper introduces Gaussian Spatial Transport (GST), a novel framework that leverages Gaussian splatting to facilitate transport from the probability measure in the image coordinate space to the annotation map. We propose a Gaussian splatting-based method to estimate pixel-annotation correspondence, which is then used to compute a transport plan derived from Bayesian probability. To integrate the resulting transport plan into standard network optimization in typical computer vision tasks, we derive a loss function that measures discrepancy after transport. Extensive experiments on representative computer vision tasks, including crowd counting and landmark detection, validate the effectiveness of our approach. Compared to conventional optimal transport schemes, GST eliminates iterative transport plan computation during training, significantly improving efficiency. Code is available at https://github.com/infinite0522/GST.

This paper addresses the fundamental problem of non-uniform area coverage in multi-agent systems, where different regions require varying levels of attention due to mission-dependent priorities. Existing uniform coverage strategies are insufficient for realistic applications, and many non-uniform approaches either lack optimality guarantees or fail to incorporate crucial real-world constraints such as agent dynamics, limited operation time, the number of agents, and decentralized execution. To resolve these limitations, we propose a novel framework called Density-Driven Optimal Control (D2OC). The central idea of D2OC is the integration of optimal transport theory with multi-agent coverage control, enabling each agent to continuously adjust its trajectory to match a mission-specific reference density map. The proposed formulation establishes optimality by solving a constrained optimization problem that explicitly incorporates physical and operational constraints. The resulting control input is analytically derived from the Lagrangian of the objective function, yielding closed-form optimal solutions for linear systems and a generalizable structure for nonlinear systems. Furthermore, a decentralized data-sharing mechanism is developed to coordinate agents without reliance on global information. Comprehensive simulation studies demonstrate that D2OC achieves significantly improved non-uniform area coverage performance compared to existing methods, while maintaining scalability and decentralized implementability.

A framework is proposed that addresses both conditional density estimation and latent variable discovery. The objective function maximizes explanation of variability in the data, achieved through the optimal transport barycenter generalized to a collection of conditional distributions indexed by a covariate --either given or latent-- in any suitable space. Theoretical results establish the existence of barycenters, a minimax formulation of optimal transport maps, and a general characterization of variability via the optimal transport cost. This framework leads to a family of non-parametric neural network-based algorithms, the BaryNet, with a supervised version that estimates conditional distributions and an unsupervised version that assigns latent variables. The efficacy of BaryNets is demonstrated by tests on both artificial and real-world data sets. A parallel drawn between autoencoders and the barycenter framework leads to the Barycentric autoencoder algorithm (BAE).

The growing scale of modern farms has increased the need for efficient and adaptive multi-agent coverage strategies for pest, weed, and disease management. Traditional methods such as manual inspection and blanket pesticide spraying often lead to excessive chemical use, resource waste, and environmental impact. While unmanned aerial vehicles (UAVs) offer a promising platform for precision agriculture through targeted spraying and improved operational efficiency, existing UAV-based approaches remain limited by battery life, payload capacity, and scalability, especially in large fields where single-UAV or uniformly distributed spraying is insufficient. Although multi-UAV coordination has been explored, many current frameworks still assume uniform spraying and do not account for infestation severity, UAV dynamics, non-uniform resource allocation, or energy-efficient coordination. To address these limitations, this paper proposes a Density-Driven Optimal Control (D2OC) framework that integrates Optimal Transport (OT) theory with multi-UAV coverage control for large-scale agricultural spraying. The method supports non-uniform, priority-aware resource allocation based on infestation intensity, reducing unnecessary chemical application. UAVs are modeled as a linear time-varying (LTV) system to capture variations in mass and inertia during spraying missions. The D2OC control law, derived using Lagrangian mechanics, enables efficient coordination, balanced workload distribution, and improved mission duration. Simulation results demonstrate that the proposed approach outperforms uniform spraying and Spectral Multiscale Coverage (SMC) in coverage efficiency, chemical reduction, and operational sustainability, providing a scalable solution for smart agriculture.

We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional theory and non-equilibrium Green's function, we assess how stacking configurations and material thickness impact important properties, such as density of states, potential barriers and conductivity. For monolayers, strong orbital hybridization with the metallic electrodes significantly alters the electronic characteristics, with the formation of states within the gap of the semiconducting 2D materials. Trilayers reveal the critical role of interlayer coupling, where the middle layer retains its intrinsic properties, thus influencing the overall conductivity. Our findings highlight the potential for customized multilayer designs to optimize electronic device performance based on two-dimensional materials.

The structural stability and phonon properties of SnSe/SnS superlattices at finite temperatures have been studied using machine learning force field molecular dynamics and the anharmonic phonon approach. The vertical SnSe/SnS superlattice undergoes a phase transition from the Pnma phase to a novel P4/nmm phase at finite temperatures, which is different from the high-temperature Cmcm phase of the SnSe and SnS systems. The stability of P4/nmm phase is determined by molecular dynamics trajectories and anharmonic phonon dispersion relations. The imaginary modes of TO modes at the q=M(1/2,1/2,0) point of the P4/nmm phase in harmonic approximation become rigid at elevated temperatures. An analysis of phonon power spectra upon temperature also confirms the dynamic stabilization. The P4/nmm phase has higher symmetry than the Pnma phase, and the phase transition between them is accompanied by competition between the Jahn-Teller effect and phonon anharmonicity. Unlike the anisotropic distribution of Sn-Se/S bonds in the Pnma phase, the P4/nmm phase forms chemical bonds with similar bond lengths both in-plane and interlayer, and their resonance effect can significantly enhance phonon scattering. The calculated phonon density of states and lifetime is strongly temperature dependent, demonstrating the heavy anharmonicity in the SnSe/SnS system. The P4/nmm phase has an extremely low lattice thermal conductivity, close to the experimental values of SnSe and SnS. Moreover, with the reduction of band gap and the enhancement of band degeneracy near the Fermi level, the P4/nmm phase exhibits superior electronic transport properties and significantly enhanced response to infrared and visible light. This makes it show great potential in thermoelectric and photovoltaic applications.

Recent advances in flow-based offline reinforcement learning (RL) have achieved strong performance by parameterizing policies via flow matching. However, they still face critical trade-offs among expressiveness, optimality, and efficiency. In particular, existing flow policies interpret the L_2 regularization as an upper bound of the 2-Wasserstein distance (W_2), which can be problematic in offline settings. This issue stems from a fundamental geometric mismatch: the behavioral policy manifold is inherently anisotropic, whereas the L_2 (or upper bound of W_2) regularization is isotropic and density-insensitive, leading to systematically misaligned optimization directions. To address this, we revisit offline RL from a geometric perspective and show that policy refinement can be formulated as a local transport map: an initial flow policy augmented by a residual displacement. By analyzing the induced density transformation, we derive a local quadratic approximation of the KL-constrained objective governed by the Fisher information matrix, enabling a tractable anisotropic optimization formulation. By leveraging the score function embedded in the flow velocity, we obtain a corresponding quadratic constraint for efficient optimization. Our results reveal that the optimality gap in prior methods arises from their isotropic approximation. In contrast, our framework achieves a controllable approximation error within a provable neighborhood of the optimal solution. Extensive experiments demonstrate state-of-the-art performance across diverse offline RL benchmarks. See project page: https://github.com/ARC0127/Fisher-Decorator.

This paper presents an AI-augmented decentralized framework for multi-agent (multi-robot) environmental mapping under limited sensing and communication. While conventional coverage formulations achieve effective spatial allocation when an accurate reference map is available, their performance deteriorates under uncertain or biased priors. The proposed method introduces an adaptive and self-correcting mechanism that enables agents to iteratively refine local density estimates within an optimal transport-based framework, ensuring theoretical consistency and scalability. A dual multilayer perceptron (MLP) module enhances adaptivity by inferring local mean-variance statistics and regulating virtual uncertainty for long-unvisited regions, mitigating stagnation around local minima. Theoretical analysis rigorously proves convergence under the Wasserstein metric, while simulation results demonstrate that the proposed AI-augmented Density-Driven Optimal Control consistently achieves robust and precise alignment with the ground-truth density, yielding substantially higher-fidelity reconstruction of complex multi-modal spatial distributions compared with conventional decentralized baselines.

We introduce a single-view reconstruction technique of volumetric fields in which multiple light scattering effects are omnipresent, such as in clouds. We model the unknown distribution of volumetric fields using an unconditional diffusion model trained on a novel benchmark dataset comprising 1,000 synthetically simulated volumetric density fields. The neural diffusion model is trained on the latent codes of a novel, diffusion-friendly, monoplanar representation. The generative model is used to incorporate a tailored parametric diffusion posterior sampling technique into different reconstruction tasks. A physically-based differentiable volume renderer is employed to provide gradients with respect to light transport in the latent space. This stands in contrast to classic NeRF approaches and makes the reconstructions better aligned with observed data. Through various experiments, we demonstrate single-view reconstruction of volumetric clouds at a previously unattainable quality.

Polymer membranes are typically assumed to be inert and nonresponsive to the flux and density of the permeating particles in transport processes. Here, we study theoretically the consequences of membrane responsiveness and feedback on the steady-state force--flux relations and membrane permeability using a nonlinear-feedback solution-diffusion model of transport through a slab-like membrane. Therein, the solute concentration inside the membrane depends on the bulk concentration, c_0, the driving force, f, and the polymer volume fraction, phi. In our model, solute accumulation in the membrane causes a sigmoidal volume phase transition of the polymer, changing its permeability, which, in return, affects the membrane's solute uptake. This feedback leads to nonlinear force--flux relations, j(f), which we quantify in terms of the system's differential permeability, P_sys^{Delta}mathrm{dj}/{df}. We find that the membrane feedback can increase or decrease the solute flux by orders of magnitude, triggered by a small change in the driving force, and largely tunable by attractive versus repulsive solute--membrane interactions. Moreover, controlling the input, c_0 and f, can lead to steady-state bistability of phi and hysteresis in the force--flux relations. This work advocates that the fine-tuning of the membrane's chemo-responsiveness will enhance the nonlinear transport control features, providing great potential for future (self-)regulating membrane devices.

MATSim (Multi-Agent Transport Simulation Toolkit) is an open source large-scale agent-based transportation planning project applied to various areas like road transport, public transport, freight transport, regional evacuation, etc. BEAM (Behavior, Energy, Autonomy, and Mobility) framework extends MATSim to enable powerful and scalable analysis of urban transportation systems. The agents from the BEAM simulation exhibit 'mode choice' behavior based on multinomial logit model. In our study, we consider eight mode choices viz. bike, car, walk, ride hail, driving to transit, walking to transit, ride hail to transit, and ride hail pooling. The 'alternative specific constants' for each mode choice are critical hyperparameters in a configuration file related to a particular scenario under experimentation. We use the 'Urbansim-10k' BEAM scenario (with 10,000 population size) for all our experiments. Since these hyperparameters affect the simulation in complex ways, manual calibration methods are time consuming. We present a parallel Bayesian optimization method with early stopping rule to achieve fast convergence for the given multi-in-multi-out problem to its optimal configurations. Our model is based on an open source HpBandSter package. This approach combines hierarchy of several 1D Kernel Density Estimators (KDE) with a cheap evaluator (Hyperband, a single multidimensional KDE). Our model has also incorporated extrapolation based early stopping rule. With our model, we could achieve a 25% L1 norm for a large-scale BEAM simulation in fully autonomous manner. To the best of our knowledge, our work is the first of its kind applied to large-scale multi-agent transportation simulations. This work can be useful for surrogate modeling of scenarios with very large populations.

Density ratio estimation is fundamental to tasks involving f-divergences, yet existing methods often fail under significantly different distributions or inadequately overlapping supports -- the density-chasm and the support-chasm problems. Additionally, prior approaches yield divergent time scores near boundaries, leading to instability. We design D^3RE, a unified framework for robust, stable and efficient density ratio estimation. We propose the dequantified diffusion bridge interpolant (DDBI), which expands support coverage and stabilizes time scores via diffusion bridges and Gaussian dequantization. Building on DDBI, the proposed dequantified Schr{\"o}dinger bridge interpolant (DSBI) incorporates optimal transport to solve the Schr{\"o}dinger bridge problem, enhancing accuracy and efficiency. Our method offers uniform approximation and bounded time scores in theory, and outperforms baselines empirically in mutual information and density estimation tasks.

A bilayer formed by stacking two distinct materials creates a moiré lattice, which can serve as a platform for novel electronic phases. In this work we study a unique example of such a system: the graphene-black phosphorus heterostructure (G/BP), which has been suggested to have an intricate band structure. Most notably, the valence band hosts a quasi-one-dimensional region in the Brillouin zone of high density of states, suggesting that various many-body electronic phases are likely to emerge. We derive an effective tight-binding model that reproduces this band structure, and explore the emergent broken-symmetry phases when interactions are introduced. Employing a mean-field analysis, we find that the favored ground-state exhibits a striped spin density wave (SDW) order, characterized by either one of two-fold degenerate wave-vectors that are tunable by gating. Further exploring the phase-diagram controlled by gate voltage and the interaction strength, we find that the SDW-ordered state undergoes a metal to insulator transition via an intermediate metallic phase which supports striped SDW correlations. Possible experimental signatures are discussed, in particular a highly anisotropic dispersion of the collective excitations which should be manifested in electric and thermal transport.

Flow-based 3D generation models typically require dozens of sampling steps during inference. Though few-step distillation methods, particularly Consistency Models (CMs), have achieved substantial advancements in accelerating 2D diffusion models, they remain under-explored for more complex 3D generation tasks. In this study, we propose a novel framework, MDT-dist, for few-step 3D flow distillation. Our approach is built upon a primary objective: distilling the pretrained model to learn the Marginal-Data Transport. Directly learning this objective needs to integrate the velocity fields, while this integral is intractable to be implemented. Therefore, we propose two optimizable objectives, Velocity Matching (VM) and Velocity Distillation (VD), to equivalently convert the optimization target from the transport level to the velocity and the distribution level respectively. Velocity Matching (VM) learns to stably match the velocity fields between the student and the teacher, but inevitably provides biased gradient estimates. Velocity Distillation (VD) further enhances the optimization process by leveraging the learned velocity fields to perform probability density distillation. When evaluated on the pioneer 3D generation framework TRELLIS, our method reduces sampling steps of each flow transformer from 25 to 1 or 2, achieving 0.68s (1 step x 2) and 0.94s (2 steps x 2) latency with 9.0x and 6.5x speedup on A800, while preserving high visual and geometric fidelity. Extensive experiments demonstrate that our method significantly outperforms existing CM distillation methods, and enables TRELLIS to achieve superior performance in few-step 3D generation.

Single molecule junctions exhibit dynamic structural configurations that strongly influence their electronic and thermoelectric properties. Here, we combine conductance (G) and Seebeck coefficient (S) measurements using the novel AC based scanning tunnelling microscope break junction technique to probe the real-time evolution of oligo(phenylene ethynylene) molecular junctions. We show that most junctions undergo configuration changes that lead to notable changes in S while G remains nearly constant. Density functional theory and quantum transport simulations link these observations to variations in contact geometry and charge transfer at the molecule electrode interface. Our results demonstrate that simultaneous G and S measurements enable direct access to the dynamic reconfiguration of single molecule junctions and offer design insights for thermoelectric molecular devices and new routes for increasing single molecule junction stability.

A class of generative models that unifies flow-based and diffusion-based methods is introduced. These models extend the framework proposed in Albergo & Vanden-Eijnden (2023), enabling the use of a broad class of continuous-time stochastic processes called `stochastic interpolants' to bridge any two arbitrary probability density functions exactly in finite time. These interpolants are built by combining data from the two prescribed densities with an additional latent variable that shapes the bridge in a flexible way. The time-dependent probability density function of the stochastic interpolant is shown to satisfy a first-order transport equation as well as a family of forward and backward Fokker-Planck equations with tunable diffusion coefficient. Upon consideration of the time evolution of an individual sample, this viewpoint immediately leads to both deterministic and stochastic generative models based on probability flow equations or stochastic differential equations with an adjustable level of noise. The drift coefficients entering these models are time-dependent velocity fields characterized as the unique minimizers of simple quadratic objective functions, one of which is a new objective for the score of the interpolant density. We show that minimization of these quadratic objectives leads to control of the likelihood for generative models built upon stochastic dynamics, while likelihood control for deterministic dynamics is more stringent. We also discuss connections with other methods such as score-based diffusion models, stochastic localization processes, probabilistic denoising techniques, and rectifying flows. In addition, we demonstrate that stochastic interpolants recover the Schr\"odinger bridge between the two target densities when explicitly optimizing over the interpolant. Finally, algorithmic aspects are discussed and the approach is illustrated on numerical examples.

This paper concerns the derivation of radiative transfer equations for acoustic waves propagating in a randomly fluctuating slab (between two parallel planes) in the weak-scattering regime, and the study of boundary effects through an asymptotic analysis of the Wigner transform of the wave solution. These radiative transfer equations allow to model the transport of wave energy density, taking into account the scattering by random heterogeneities. The approach builds on the method of images, where the slab is extended to a full-space, with a periodic map of mechanical properties and a series of sources located along a periodic pattern. Two types of boundary effects, both on the (small) scale of the wavelength, are observed: one at the boundaries of the slab, and one inside the domain. The former impact the entire energy density (coherent as well as incoherent) and is also observed in half-spaces. The latter, more specific to slabs, corresponds to the constructive interference of waves that have reflected at least twice on the boundaries of the slab and only impacts the coherent part of the energy density.

We construct a geometric framework for cosmological large-scale structure based on optimal transport theory and Wasserstein geometry. In this framework, Ricci curvature on the probability measure space P_2(M) is characterized by the geodesic convexity of entropy and is formulated as the response of probability distributions to optimal transport. We introduce effective Ricci curvatures K_{eff}^{(infty)} and K_{eff}^{(N)} associated with Kullback--Leibler-type and Rényi-type entropies, corresponding respectively to the curvature-dimension conditions CD(K,infty) and CD(K,N). By localizing these curvatures to finite scales using local and reference measures, we construct curvature indicators applicable to observational data. Under a local quadratic approximation, the effective curvature reduces to the Hessian of the log-density, showing that conventional Hessian-based structure classifications arise as a limiting case of the present framework. We further show that effective curvature depends on observational scale and formulate this dependence as a scale flow, distinct from Ricci flow because it describes a change of resolution rather than a time evolution of geometry. Treating curvature as a random field then extends the statistical description of density fields: curvature statistics are given by higher-order weighted integrals of the power spectrum and by spatial derivatives of the correlation function, emphasizing geometric rather than amplitude information. This framework provides a unified connection between optimal transport geometry and cosmological structure analysis, and offers a new perspective on multiscale structure and nonlinear statistics.

Generative flow and diffusion models provide the continuous, multimodal action distributions needed for high-precision robotic policies. However, their reliance on iterative sampling introduces severe inference latency, degrading control frequency and harming performance in time-sensitive manipulation. To address this problem, we propose the One-Step Flow Policy (OFP), a from-scratch self-distillation framework for high-fidelity, single-step action generation without a pre-trained teacher. OFP unifies a self-consistency loss to enforce coherent transport across time intervals, and a self-guided regularization to sharpen predictions toward high-density expert modes. In addition, a warm-start mechanism leverages temporal action correlations to minimize the generative transport distance. Evaluations across 56 diverse simulated manipulation tasks demonstrate that a one-step OFP achieves state-of-the-art results, outperforming 100-step diffusion and flow policies while accelerating action generation by over 100times. We further integrate OFP into the π_{0.5} model on RoboTwin 2.0, where one-step OFP surpasses the original 10-step policy. These results establish OFP as a practical, scalable solution for highly accurate and low-latency robot control.

In crowd counting, each training image contains multiple people, where each person is annotated by a dot. Existing crowd counting methods need to use a Gaussian to smooth each annotated dot or to estimate the likelihood of every pixel given the annotated point. In this paper, we show that imposing Gaussians to annotations hurts generalization performance. Instead, we propose to use Distribution Matching for crowd COUNTing (DM-Count). In DM-Count, we use Optimal Transport (OT) to measure the similarity between the normalized predicted density map and the normalized ground truth density map. To stabilize OT computation, we include a Total Variation loss in our model. We show that the generalization error bound of DM-Count is tighter than that of the Gaussian smoothed methods. In terms of Mean Absolute Error, DM-Count outperforms the previous state-of-the-art methods by a large margin on two large-scale counting datasets, UCF-QNRF and NWPU, and achieves the state-of-the-art results on the ShanghaiTech and UCF-CC50 datasets. DM-Count reduced the error of the state-of-the-art published result by approximately 16%. Code is available at https://github.com/cvlab-stonybrook/DM-Count.

Electron-phonon interaction is of central importance for the electrical and heat transport properties of metals, and is directly responsible for charge-density-waves or (conventional) superconducting instabilities. The direct observation of phonon dispersion anomalies across electronic phase transitions can provide insightful information regarding the mechanisms underlying their formation. Here, we review the current status of phonon dispersion studies in superconductors under hydrostatic and uniaxial pressure. Advances in the instrumentation of high resolution inelastic X-ray scattering beamlines and pressure generating devices allow these measurements to be performed routinely at synchrotron beamlines worldwide.

Counting and tracking dense crowds in large-scale scenes is a highly practical yet challenging problem. Existing methods mostly rely on fixed-camera datasets with limited scene coverage, making them inadequate for crowd analysis in large-scale scenes. To bridge this gap, we introduce MovingDroneCrowd++, the largest video-level dataset dedicated to dense crowd counting and tracking with fast-moving drones, captured under diverse flight altitudes, camera angles, and illumination conditions. Existing methods, however, still fail to achieve satisfactory video individual counting or tracking performance under these challenging aerial conditions. To this end, we propose GD3A (Global Density map Decomposition via group-wise Descriptor Association), a video individual counting method that first establishes pixel-level correspondences between pedestrian descriptors across frames via optimal transport with an adaptive dustbin score. Then, group-wise association is adopted to guide the decomposition of the global density map into shared, inflow, and outflow density maps. We further introduce a pedestrian tracking method, DVTrack (Descriptor Voting Track), which converts descriptor-level matching into instance-level association through descriptor voting. Our methods rely on the association results of group-wise multiple descriptors for each pedestrian rather than a single vector. Since intra-group matching errors do not affect the final counting and tracking results, our methods are more robust in dense crowds and challenging aerial conditions. Experiments show that our methods achieve substantial gains in both crowd counting and tracking on moving-drone videos with dense crowds and complex motions, reducing counting error by 47.4% and improving tracking accuracy by 64.6%. Code, dataset, and pretrained models are available at https://github.com/fyw1999/MovingDroneCrowd.

A large-scale database of two-dimensional UEDGE simulations has been developed to study detachment physics in KSTAR and to support surrogate models for control applications. Nearly 70,000 steady-state solutions were generated, systematically scanning upstream density, input power, plasma current, impurity fraction, and anomalous transport coefficients, with magnetic and electric drifts across the magnetic field included. The database identifies robust detachment indicators, with strike-point electron temperature at detachment onset consistently Te around 3-4 eV, largely insensitive to upstream conditions. Scaling relations reveal weaker impurity sensitivity than one-dimensional models and show that heat flux widths follow Eich's scaling only for uniform, low D and Chi. Distinctive in-out divertor asymmetries are observed in KSTAR, differing qualitatively from DIII-D. Complementary time-dependent simulations quantify plasma response to gas puffing, with delays of 5-15 ms at the outer strike point and approximately 40 ms for the low-magnetic-field-side (LFS) radiation front. These dynamics are well captured by first-order-plus-dead-time (FOPDT) models and are consistent with experimentally observed detachment-control behavior in KSTAR [Gupta et al., submitted to Plasma Phys. Control. Fusion (2025)]

We investigate the coupling effects of the two-phase interface, viscosity ratio, and density ratio of the dispersed phase to the continuous phase on the flow statistics in two-phase Taylor-Couette turbulence at a system Reynolds number of 6000 and a system Weber number of 10 using interface-resolved three-dimensional direct numerical simulations with the volume-of-fluid method. Our study focuses on four different scenarios: neutral droplets, low-viscosity droplets, light droplets, and low-viscosity light droplets. We find that neutral droplets and low-viscosity droplets primarily contribute to drag enhancement through the two-phase interface, while light droplets reduce the system's drag by explicitly reducing Reynolds stress due to the density dependence of Reynolds stress. Additionally, low-viscosity light droplets contribute to greater drag reduction by further reducing momentum transport near the inner cylinder and implicitly reducing Reynolds stress. While interfacial tension enhances turbulent kinetic energy (TKE) transport, drag enhancement is not strongly correlated with TKE transport for both neutral droplets and low-viscosity droplets. Light droplets primarily reduce the production term by diminishing Reynolds stress, whereas the density contrast between the phases boosts TKE transport near the inner wall. Therefore, the reduction in the dissipation rate is predominantly attributed to decreased turbulence production, causing drag reduction. For low-viscosity light droplets, the production term diminishes further, primarily due to their greater reduction in Reynolds stress, while reduced viscosity weakens the density difference's contribution to TKE transport near the inner cylinder, resulting in a more pronounced reduction in the dissipation rate and consequently stronger drag reduction. Our findings provide new insights into the turbulence modulation in two-phase flow.

Invasive species in water bodies pose a major threat to the environment and biodiversity globally. Due to increased transportation and trade, non-native species have been introduced to new environments, causing damage to ecosystems and leading to economic losses in agriculture, forestry, and fisheries. Therefore, there is a pressing need for risk assessment and management techniques to mitigate the impact of these invasions. This study aims to develop a new physics-inspired model to forecast maritime shipping traffic and thus inform risk assessment of invasive species spread through global transportation networks. Inspired by the gravity model for international trades, our model considers various factors that influence the likelihood and impact of vessel activities, such as shipping flux density, distance between ports, trade flow, and centrality measures of transportation hubs. Additionally, by analyzing the risk network of invasive species, we provide a comprehensive framework for assessing the invasion threat level given a pair of origin and destination. Accordingly, this paper introduces transformers to gravity models to rebuild the short- and long-term dependencies that make the risk analysis feasible. Thus, we introduce a physics-inspired framework that achieves an 89% segmentation accuracy for existing and non-existing trajectories and an 84.8% accuracy for the number of vessels flowing between key port areas, representing more than 10% improvement over the traditional deep-gravity model. Along these lines, this research contributes to a better understanding of invasive species risk assessment. It allows policymakers, conservationists, and stakeholders to prioritize management actions by identifying high-risk invasion pathways. Besides, our model is versatile and can include new data sources, making it suitable for assessing species invasion risks in a changing global landscape.

This paper presents a novel neural implicit radiance representation for free viewpoint relighting from a small set of unstructured photographs of an object lit by a moving point light source different from the view position. We express the shape as a signed distance function modeled by a multi layer perceptron. In contrast to prior relightable implicit neural representations, we do not disentangle the different reflectance components, but model both the local and global reflectance at each point by a second multi layer perceptron that, in addition, to density features, the current position, the normal (from the signed distace function), view direction, and light position, also takes shadow and highlight hints to aid the network in modeling the corresponding high frequency light transport effects. These hints are provided as a suggestion, and we leave it up to the network to decide how to incorporate these in the final relit result. We demonstrate and validate our neural implicit representation on synthetic and real scenes exhibiting a wide variety of shapes, material properties, and global illumination light transport.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to couple the base and the target densities. This enables us to incorporate information about class labels or continuous embeddings to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.

A theoretical approach to describing transport of an entire ensemble of clusters with different sizes as a single species in gas has been developed. The major assumption is an existence of local partial chemical equilibrium between the clusters. It is shown that thermal diffusion emerges in the collective description as a significant factor even if it is negligible when transport of the original molecular species is considered. Analytical expressions for the effective diffusion and thermal diffusion coefficients at temperature, pressure, and chemical composition gradients have been derived. The theory has been applied to a technology of H2S conversion in a centrifugal plasma-chemical reactor and has made it possible to account for sulfur clusters in numerical process modeling.

Density of the reachable states can help understand the risk of safety-critical systems, especially in situations when worst-case reachability is too conservative. Recent work provides a data-driven approach to compute the density distribution of autonomous systems' forward reachable states online. In this paper, we study the use of such approach in combination with model predictive control for verifiable safe path planning under uncertainties. We first use the learned density distribution to compute the risk of collision online. If such risk exceeds the acceptable threshold, our method will plan for a new path around the previous trajectory, with the risk of collision below the threshold. Our method is well-suited to handle systems with uncertainties and complicated dynamics as our data-driven approach does not need an analytical form of the systems' dynamics and can estimate forward state density with an arbitrary initial distribution of uncertainties. We design two challenging scenarios (autonomous driving and hovercraft control) for safe motion planning in environments with obstacles under system uncertainties. We first show that our density estimation approach can reach a similar accuracy as the Monte-Carlo-based method while using only 0.01X training samples. By leveraging the estimated risk, our algorithm achieves the highest success rate in goal reaching when enforcing the safety rate above 0.99.

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies to compute forces and higher-order derivatives. Furthermore, such densities are often defined on non-trivial topologies. A recent example are Boltzmann Generators for generating 3D-structures of peptides and small proteins. These generative models leverage the space of internal coordinates (dihedrals, angles, and bonds), which is a product of hypertori and compact intervals. In this work, we introduce a class of smooth mixture transformations working on both compact intervals and hypertori. Mixture transformations employ root-finding methods to invert them in practice, which has so far prevented bi-directional flow training. To this end, we show that parameter gradients and forces of such inverses can be computed from forward evaluations via the inverse function theorem. We demonstrate two advantages of such smooth flows: they allow training by force matching to simulation data and can be used as potentials in molecular dynamics simulations.

We propose a physics-informed neural particle method (PINN--PM) for the spatially homogeneous Landau equation. The method adopts a Lagrangian interacting-particle formulation and jointly parameterizes the time-dependent score and the characteristic flow map with neural networks. Instead of advancing particles through explicit time stepping, the Landau dynamics is enforced via a continuous-time residual defined along particle trajectories. This design removes time-discretization error and yields a mesh-free solver that can be queried at arbitrary times without sequential integration. We establish a rigorous stability analysis in an L^2_v framework. The deviation between learned and exact characteristics is controlled by three interpretable sources: (i) score approximation error, (ii) empirical particle approximation error, and (iii) the physics residual of the neural flow. This trajectory estimate propagates to density reconstruction, where we derive an L^2_v error bound for kernel density estimators combining classical bias--variance terms with a trajectory-induced contribution. Using Hyvarinen's identity, we further relate the oracle score-matching gap to the L^2_v score error and show that the empirical loss concentrates at the Monte Carlo rate, yielding computable a posteriori accuracy certificates. Numerical experiments on analytical benchmarks, including the two- and three-dimensional BKW solutions, as well as reference-free configurations, demonstrate stable transport, preservation of macroscopic invariants, and competitive or improved accuracy compared with time-stepping score-based particle and blob methods while using significantly fewer particles.

This study investigates the dynamics of pedestrian crossing flows with varying crossing angles α to classify different scenarios and derive implications for crowd management. Probability density functions of four key features-velocity v, density ρ, avoidance number Av, and intrusion number In-were analyzed to characterize pedestrian behavior. Velocity-density fundamental diagrams were constructed for each α and fitted with functional forms from existing literature. Classification attempts using Av-In and v-ρ phase spaces revealed significant overlaps, highlighting the limitations of these metrics alone for scenario differentiation. To address this, machine learning models, including logistic regression and random forest, were employed using all four features. Results showed robust classification performance, with v and Av contributing most significantly. Insights from feature importance metrics and classification accuracy offer practical guidance for managing high-density crowds, optimizing pedestrian flow, and designing safer public spaces. These findings provide a data-driven framework for advancing pedestrian dynamics research.

While previous distribution shift detection approaches can identify if a shift has occurred, these approaches cannot localize which specific features have caused a distribution shift -- a critical step in diagnosing or fixing any underlying issue. For example, in military sensor networks, users will want to detect when one or more of the sensors has been compromised, and critically, they will want to know which specific sensors might be compromised. Thus, we first define a formalization of this problem as multiple conditional distribution hypothesis tests and propose both non-parametric and parametric statistical tests. For both efficiency and flexibility, we then propose to use a test statistic based on the density model score function (i.e. gradient with respect to the input) -- which can easily compute test statistics for all dimensions in a single forward and backward pass. Any density model could be used for computing the necessary statistics including deep density models such as normalizing flows or autoregressive models. We additionally develop methods for identifying when and where a shift occurs in multivariate time-series data and show results for multiple scenarios using realistic attack models on both simulated and real world data.

We consider the problem of estimating the optimal transport map between two probability distributions, P and Q in mathbb R^d, on the basis of i.i.d. samples. All existing statistical analyses of this problem require the assumption that the transport map is Lipschitz, a strong requirement that, in particular, excludes any examples where the transport map is discontinuous. As a first step towards developing estimation procedures for discontinuous maps, we consider the important special case where the data distribution Q is a discrete measure supported on a finite number of points in mathbb R^d. We study a computationally efficient estimator initially proposed by Pooladian and Niles-Weed (2021), based on entropic optimal transport, and show in the semi-discrete setting that it converges at the minimax-optimal rate n^{-1/2}, independent of dimension. Other standard map estimation techniques both lack finite-sample guarantees in this setting and provably suffer from the curse of dimensionality. We confirm these results in numerical experiments, and provide experiments for other settings, not covered by our theory, which indicate that the entropic estimator is a promising methodology for other discontinuous transport map estimation problems.

We continue our analysis on conductivity in the anisotropic background by employing the D-brane probe technique, where the D-branes play the role of charge carriers. The DC and AC conductivity for massless charge carriers are obtained analytically, while interesting curves for the AC conductivity are also plotted. For massive charge carriers, we calculate the DC and AC conductivities in the dilute limit and we fix the parameters in the Einstein-Maxwell-dilaton theory so that the background exhibits the same scaling behaviors as those for real-world strange metals. The DC conductivity at finite density is also computed.

Optimal transport (OT) aims to find a map T that transports mass from one probability measure to another while minimizing a cost function. Recently, neural OT solvers have gained popularity in high dimensional biological applications such as drug perturbation, due to their superior computational and memory efficiency compared to traditional exact Sinkhorn solvers. However, the overly complex high dimensional maps learned by neural OT solvers often suffer from poor interpretability. Prior work addressed this issue in the context of exact OT solvers by introducing displacement-sparse maps via designed elastic cost, but such method failed to be applied to neural OT settings. In this work, we propose an intuitive and theoretically grounded approach to learning displacement-sparse maps within neural OT solvers. Building on our new formulation, we introduce a novel smoothed ell_0 regularizer that outperforms the ell_1 based alternative from prior work. Leveraging Input Convex Neural Network's flexibility, we further develop a heuristic framework for adaptively controlling sparsity intensity, an approach uniquely enabled by the neural OT paradigm. We demonstrate the necessity of this adaptive framework in large-scale, high-dimensional training, showing not only improved accuracy but also practical ease of use for downstream applications.

We present a neural framework for learning conditional optimal transport (OT) maps between probability distributions. Our approach introduces a conditioning mechanism capable of processing both categorical and continuous conditioning variables simultaneously. At the core of our method lies a hypernetwork that generates transport layer parameters based on these inputs, creating adaptive mappings that outperform simpler conditioning methods. Comprehensive ablation studies demonstrate the superior performance of our method over baseline configurations. Furthermore, we showcase an application to global sensitivity analysis, offering high performance in computing OT-based sensitivity indices. This work advances the state-of-the-art in conditional optimal transport, enabling broader application of optimal transport principles to complex, high-dimensional domains such as generative modeling and black-box model explainability.

Two benchmark problems for linear radiation transport and derived from the literature are presented in detail and several quantities of interest are defined. High-resolution simulations are computed using standard, robust numerical methods and implemented using HPC resources. The goal of these simulations is to provide reference solutions for new discretization approaches, to aid in the development of multi-fidelity uncertainty quantification and optimization algorithms, to provide data for training surrogates models. The code used to perform the simulations and post-process the data is publicly available, as is the raw data that used to generate the results presented in the paper.

We study in detail a one-dimensional lattice model of a continuum, conserved field (mass) that is transferred deterministically between neighbouring random sites. The model falls in a wider class of lattice models capturing the joint effect of random advection and diffusion and encompassing as specific cases, some models studied in the literature, like the Kang-Redner, Kipnis-Marchioro-Presutti, Takayasu-Taguchi, etc. The motivation for our setup comes from a straightforward interpretation as advection of particles in one-dimensional turbulence, but it is also related to a problem of synchronization of dynamical systems driven by common noise. For finite lattices, we study both the coalescence of an initially spread field (interpreted as roughening), and the statistical steady-state properties. We distinguish two main size-dependent regimes, depending on the strength of the diffusion term and on the lattice size. Using numerical simulations and mean-field approach, we study the statistics of the field. For weak diffusion, we unveil a characteristic hierarchical structure of the field. We also connect the model and the iterated function systems concept.

Computing the optimal transport distance between statistical distributions is a fundamental task in machine learning. One remarkable recent advancement is entropic regularization and the Sinkhorn algorithm, which utilizes only matrix scaling and guarantees an approximated solution with near-linear runtime. Despite the success of the Sinkhorn algorithm, its runtime may still be slow due to the potentially large number of iterations needed for convergence. To achieve possibly super-exponential convergence, we present Sinkhorn-Newton-Sparse (SNS), an extension to the Sinkhorn algorithm, by introducing early stopping for the matrix scaling steps and a second stage featuring a Newton-type subroutine. Adopting the variational viewpoint that the Sinkhorn algorithm maximizes a concave Lyapunov potential, we offer the insight that the Hessian matrix of the potential function is approximately sparse. Sparsification of the Hessian results in a fast O(n^2) per-iteration complexity, the same as the Sinkhorn algorithm. In terms of total iteration count, we observe that the SNS algorithm converges orders of magnitude faster across a wide range of practical cases, including optimal transportation between empirical distributions and calculating the Wasserstein W_1, W_2 distance of discretized densities. The empirical performance is corroborated by a rigorous bound on the approximate sparsity of the Hessian matrix.

Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g. planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement fusion. There exists experimental data for the equation of state, conductivity, and Thomson scattering spectra. However, the analysis of the measurements at extreme pressures and temperatures typically involves additional model assumptions, which makes it difficult to assess the accuracy of the experimental data. rigorously. On the other hand, theory and modeling have produced extensive collections of data. They originate from a very large variety of models and simulations including path integral Monte Carlo (PIMC) simulations, density functional theory (DFT), chemical models, machine-learned models, and combinations thereof. At the same time, each of these methods has fundamental limitations (fermion sign problem in PIMC, approximate exchange-correlation functionals of DFT, inconsistent interaction energy contributions in chemical models, etc.), so for some parameter ranges accurate predictions are difficult. Recently, a number of breakthroughs in first principle PIMC and DFT simulations were achieved which are discussed in this review. Here we use these results to benchmark different simulation methods. We present an update of the hydrogen phase diagram at high pressures, the expected phase transitions, and thermodynamic properties including the equation of state and momentum distribution. Furthermore, we discuss available dynamic results for warm dense hydrogen, including the conductivity, dynamic structure factor, plasmon dispersion, imaginary-time structure, and density response functions. We conclude by outlining strategies to combine different simulations to achieve accurate theoretical predictions.

Global solar photospheric magnetic maps play a critical role in solar and heliospheric physics research. Routine magnetograph measurements of the field occur only along the Sun-Earth line, leaving the far-side of the Sun unobserved. Surface Flux Transport (SFT) models attempt to mitigate this by modeling the surface evolution of the field. While such models have long been established in the community (with several releasing public full-Sun maps), none are open source. The Open Source Flux Transport (OFT) model seeks to fill this gap by providing an open and user-extensible SFT model that also builds on the knowledge of previous models with updated numerical and data acquisition/assimilation methods along with additional user-defined features. In this first of a series of papers on OFT, we introduce its computational core: the High-performance Flux Transport (HipFT) code (github.com/predsci/hipft). HipFT implements advection, diffusion, and data assimilation in a modular design that supports a variety of flow models and options. It can compute multiple realizations in a single run across model parameters to create ensembles of maps for uncertainty quantification and is high-performance through the use of multi-CPU and multi-GPU parallelism. HipFT is designed to enable users to easily write extensions, enhancing its flexibility and adaptability. We describe HipFT's model features, validations of its numerical methods, performance of its parallel and GPU-accelerated code implementation, analysis/post-processing options, and example use cases.

Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while machine learning methods have advanced static density prediction, modeling its spatiotemporal dynamics remains largely unexplored. In this work, we introduce a generative framework that combines a 3D convolutional autoencoder with a latent diffusion model (LDM) to learn electron density trajectories from ab-initio molecular dynamics (AIMD) simulations. Our method encodes electron densities into a compact latent space and predicts their future states by sampling from the learned conditional distribution, enabling stable long-horizon rollouts without drift or collapse. To preserve statistical fidelity, we incorporate a scaled Jensen-Shannon divergence regularization that aligns generated and reference density distributions. On AIMD trajectories of liquid lithium at 800 K, our model accurately captures both the spatial correlations and the log-normal-like statistical structure of the density. The proposed framework has the potential to accelerate the simulation of quantum dynamics and overcome key challenges faced by current spatiotemporal machine learning methods as surrogates of quantum mechanical simulators.

Moist convection is a physical process where the latent heat released by condensation acts as a buoyancy source that can enhance or even trigger an overturning convective instability. Since the saturation temperature often decreases with height, condensation releases latent heat preferentially in regions of upflow. Due to this inhomogeneous heat source, moist convection may be more sensitive to changes in flow morphology, such as those induced by rotation, than dry Rayleigh-B\'enard convection. In order to study the effects of rotation on flows driven by latent heat release, we present a suite of numerical simulations that solve the Rainy-B\'enard equations (Vallis et al. 2019). We identify three morphological regimes: a cellular regime and a plume regime broadly analogous to those found in rotating Rayleigh B\'enard convection, and a novel funnel regime that lacks a clear analog within the regimes exhibited by dry convection. We measure energy fluxes through the system and report rotational scalings of the Reynolds and moist Nusselt numbers. We find that moist static energy transport, as measured by a moist Nusselt number, is significantly enhanced in the funnel regime without a corresponding enhancement in Reynolds number, indicating that this funnel regime produces structures with more favorable correlations between the temperature and vertical velocity.

In reinforcement learning and imitation learning, an object of central importance is the state distribution induced by the policy. It plays a crucial role in the policy gradient theorem, and references to it--along with the related state-action distribution--can be found all across the literature. Despite its importance, the state distribution is mostly discussed indirectly and theoretically, rather than being modeled explicitly. The reason being an absence of appropriate density estimation tools. In this work, we investigate applications of a normalizing flow-based model for the aforementioned distributions. In particular, we use a pair of flows coupled through the optimality point of the Donsker-Varadhan representation of the Kullback-Leibler (KL) divergence, for distribution matching based imitation learning. Our algorithm, Coupled Flow Imitation Learning (CFIL), achieves state-of-the-art performance on benchmark tasks with a single expert trajectory and extends naturally to a variety of other settings, including the subsampled and state-only regimes.

In an experiment on a turbulent jet, we detect interfacial turbulent layers in a frame that moves, on average, along with the \tnti. This significantly prolongs the observation time of scalar and velocity structures and enables the measurement of two types of Lagrangian coherent structures. One structure, the finite-time Lyapunov field (FTLE), quantifies advective transport barriers of fluid parcels while the other structure highlights barriers of diffusive momentum transport. These two complementary structures depend on large-scale and small-scale motion and are therefore associated with the growth of the turbulent region through engulfment or nibbling, respectively. We detect the \tnti\ from cluster analysis, where we divide the measured scalar field into four clusters. Not only the \tnti\ can be found this way, but also the next, internal, turbulent-turbulent interface. Conditional averages show that these interfaces are correlated with barriers of advective and diffusive transport when the Lagrangian integration time is smaller than the integral time scale. Diffusive structures decorrelate faster since they have a smaller timescale. Conditional averages of these structures at internal turbulent-turbulent interfaces show the same pattern with a more pronounced jump at the interface indicative of a shear layer. This is quite an unexpected outcome, as the internal interface is now defined not by the presence or absence of vorticity, but by conditional vorticity corresponding to two uniform concentration zones. The long-time diffusive momentum flux along Lagrangian paths represents the growth of the turbulent flow into the irrotational domain, a direct demonstration of nibbling. The diffusive flux parallel to the \tnti\ appears to be concentrated in a diffusive superlayer whose width is comparable with the Taylor microscale, which is relatively invariant in time.

Expanding medium is very common in many different fields, such as biology and cosmology. It brings a nonnegligible influence on particle's diffusion, which is quite different from the effect of an external force field. The dynamic mechanism of particle's motion in expanding medium has only been investigated in the framework of continuous-time random walk. To focus on more diffusion processes and physical observables, we build the Langevin picture of anomalous diffusion in expanding medium, and conduct detailed analyses in the framework of Langevin equation. With the help of a subordinator, both subdiffusion process and superdiffusion process in expanding medium are discussed. We find that the expanding medium with different changing rate (exponential form and power-law form) leads to quite different diffusion phenomena. The particle's intrinsic diffusion behavior also plays an important role. Our detailed theoretical analyses and simulations present a panoramic view of investigating anomalous diffusion in expanding medium under the framework of Langevin equation.

This paper studies the scale and redshift variation of density and velocity distributions in self-gravitating collisionless dark matter flow by a halo-based non-projection approach. All particles are divided into halo and out-of-halo particles for redshift variation of distributions. Without projecting particle fields onto a structured grid, the scale variation is analyzed by identifying all particle pairs on different scales r. We demonstrate that: i) Delaunay tessellation can be used to reconstruct the density field. The density correlation, spectrum, and dispersion functions were obtained, modeled, and compared with the N-body simulation; ii) the velocity distributions are symmetric on both small and large scales and are non-symmetric with a negative skewness on intermediate scales due to the inverse energy cascade at a constant rate varepsilon_u; iii) On small scales, the even order moments of pairwise velocity Delta u_L follow a two-thirds law (-varepsilon_ur)^{2/3}, while the odd order moments follow a linear scaling langle(Delta u_L)^{2n+1}rangle=(2n+1)langle(Delta u_L)^{2n}ranglelangleDelta u_Lrangler; iv) The scale variation of the velocity distributions was studied for longitudinal velocities u_L or u_L^{'}, pairwise velocity (velocity difference) Delta u_L=u_L^{'}-u_L and velocity sum Sigma u_L=u^{'}_L+u_L. Fully developed velocity fields are never Gaussian on any scale, despite that they can initially be Gaussian; v) On small scales, u_L and Sigma u_L can be modeled by a X distribution to maximize the system entropy; vi) On large scales, Delta u_L and Sigma u_L can be modeled by a logistic or a X distribution; vii) the redshift variation of the velocity distributions follows the evolution of the X distribution involving a shape parameter alpha(z) decreasing with time.

We propose a novel neural algorithm for the fundamental problem of computing the entropic optimal transport (EOT) plan between continuous probability distributions which are accessible by samples. Our algorithm is based on the saddle point reformulation of the dynamic version of EOT which is known as the Schr\"odinger Bridge problem. In contrast to the prior methods for large-scale EOT, our algorithm is end-to-end and consists of a single learning step, has fast inference procedure, and allows handling small values of the entropy regularization coefficient which is of particular importance in some applied problems. Empirically, we show the performance of the method on several large-scale EOT tasks. https://github.com/ngushchin/EntropicNeuralOptimalTransport

Transport maps can ease the sampling of distributions with non-trivial geometries by transforming them into distributions that are easier to handle. The potential of this approach has risen with the development of Normalizing Flows (NF) which are maps parameterized with deep neural networks trained to push a reference distribution towards a target. NF-enhanced samplers recently proposed blend (Markov chain) Monte Carlo methods with either (i) proposal draws from the flow or (ii) a flow-based reparametrization. In both cases, the quality of the learned transport conditions performance. The present work clarifies for the first time the relative strengths and weaknesses of these two approaches. Our study concludes that multimodal targets can be reliably handled with flow-based proposals up to moderately high dimensions. In contrast, methods relying on reparametrization struggle with multimodality but are more robust otherwise in high-dimensional settings and under poor training. To further illustrate the influence of target-proposal adequacy, we also derive a new quantitative bound for the mixing time of the Independent Metropolis-Hastings sampler.

The Entropic Optimal Transport (EOT) problem and its dynamic counterpart, the Schrödinger bridge (SB) problem, play an important role in modern machine learning, linking generative modeling with optimal transport theory. While recent advances in discrete diffusion and flow models have sparked growing interest in applying SB methods to discrete domains, there is still no reliable way to evaluate how well these methods actually solve the underlying problem. We address this challenge by introducing a benchmark for SB on discrete spaces. Our construction yields pairs of probability distributions with analytically known SB solutions, enabling rigorous evaluation. As a byproduct of building this benchmark, we obtain two new SB algorithms, DLightSB and DLightSB-M, and additionally extend prior related work to construct the α-CSBM algorithm. We demonstrate the utility of our benchmark by evaluating both existing and new solvers in high-dimensional discrete settings. This work provides the first step toward proper evaluation of SB methods on discrete spaces, paving the way for more reproducible future studies.

Diffusion models have emerged as a powerful class of generative models, capable of producing high-quality images by mapping noise to a data distribution. However, recent findings suggest that image likelihood does not align with perceptual quality: high-likelihood samples tend to be smooth, while lower-likelihood ones are more detailed. Controlling sample density is thus crucial for balancing realism and detail. In this paper, we analyze an existing technique, Prior Guidance, which scales the latent code to influence image detail. We introduce score alignment, a condition that explains why this method works and show that it can be tractably checked for any continuous normalizing flow model. We then propose Density Guidance, a principled modification of the generative ODE that enables exact log-density control during sampling. Finally, we extend Density Guidance to stochastic sampling, ensuring precise log-density control while allowing controlled variation in structure or fine details. Our experiments demonstrate that these techniques provide fine-grained control over image detail without compromising sample quality.

Neural volume rendering became increasingly popular recently due to its success in synthesizing novel views of a scene from a sparse set of input images. So far, the geometry learned by neural volume rendering techniques was modeled using a generic density function. Furthermore, the geometry itself was extracted using an arbitrary level set of the density function leading to a noisy, often low fidelity reconstruction. The goal of this paper is to improve geometry representation and reconstruction in neural volume rendering. We achieve that by modeling the volume density as a function of the geometry. This is in contrast to previous work modeling the geometry as a function of the volume density. In more detail, we define the volume density function as Laplace's cumulative distribution function (CDF) applied to a signed distance function (SDF) representation. This simple density representation has three benefits: (i) it provides a useful inductive bias to the geometry learned in the neural volume rendering process; (ii) it facilitates a bound on the opacity approximation error, leading to an accurate sampling of the viewing ray. Accurate sampling is important to provide a precise coupling of geometry and radiance; and (iii) it allows efficient unsupervised disentanglement of shape and appearance in volume rendering. Applying this new density representation to challenging scene multiview datasets produced high quality geometry reconstructions, outperforming relevant baselines. Furthermore, switching shape and appearance between scenes is possible due to the disentanglement of the two.

Cryo-electron microscopy (cryo-EM) is a powerful technique in structural biology and drug discovery, enabling the study of biomolecules at high resolution. Significant advancements by structural biologists using cryo-EM have led to the production of over 38,626 protein density maps at various resolutions1. However, cryo-EM data processing algorithms have yet to fully benefit from our knowledge of biomolecular density maps, with only a few recent models being data-driven but limited to specific tasks. In this study, we present CryoFM, a foundation model designed as a generative model, learning the distribution of high-quality density maps and generalizing effectively to downstream tasks. Built on flow matching, CryoFM is trained to accurately capture the prior distribution of biomolecular density maps. Furthermore, we introduce a flow posterior sampling method that leverages CRYOFM as a flexible prior for several downstream tasks in cryo-EM and cryo-electron tomography (cryo-ET) without the need for fine-tuning, achieving state-of-the-art performance on most tasks and demonstrating its potential as a foundational model for broader applications in these fields.

Modeling stochastic dynamics from discrete observations is a key interdisciplinary challenge. Existing methods often fail to estimate the continuous evolution of probability densities from trajectories or face the curse of dimensionality. To address these limitations, we presents a novel paradigm: modeling dynamics directly in the weight space of a neural network by projecting the evolving probability distribution. We first theoretically establish the connection between dynamic optimal transport in measure space and an equivalent energy functional in weight space. Subsequently, we design WeightFlow, which constructs the neural network weights into a graph and learns its evolution via a graph controlled differential equation. Experiments on interdisciplinary datasets demonstrate that WeightFlow improves performance by an average of 43.02\% over state-of-the-art methods, providing an effective and scalable solution for modeling high-dimensional stochastic dynamics.

We use the AdS/CFT correspondence to compute the conductivity of massive N=2 hypermultiplet fields at finite baryon number density in an N=4 SU(N_c) super-Yang-Mills theory plasma in the large N_c, large 't Hooft coupling limit. The finite baryon density provides charge carriers analogous to electrons in a metal. An external electric field then induces a finite current which we determine directly. Our result for the conductivity is good for all values of the mass, external field and density, modulo statements about the yet-incomplete phase diagram. In the appropriate limits it agrees with known results obtained from analyzing small fluctuations around equilibrium. For large mass, where we expect a good quasi-particle description, we compute the drag force on the charge carriers and find that the answer is unchanged from the zero density case. Our method easily generalizes to a wide class of systems of probe branes in various backgrounds.

Learning a transport model that maps a source distribution to a target distribution is a canonical problem in machine learning, but scientific applications increasingly require models that can generalize to source and target distributions unseen during training. We introduce distribution-conditioned transport (DCT), a framework that conditions transport maps on learned embeddings of source and target distributions, enabling generalization to unseen distribution pairs. DCT also allows semi-supervised learning for distributional forecasting problems: because it learns from arbitrary distribution pairs, it can leverage distributions observed at only one condition to improve transport prediction. DCT is agnostic to the underlying transport mechanism, supporting models ranging from flow matching to distributional divergence-based models (e.g. Wasserstein, MMD). We demonstrate the practical performance benefits of DCT on synthetic benchmarks and four applications in biology: batch effect transfer in single-cell genomics, perturbation prediction from mass cytometry data, learning clonal transcriptional dynamics in hematopoiesis, and modeling T-cell receptor sequence evolution.

Dissipation is a common occurrence in real-world systems and is generally considered to be detrimental to transport. In this study, we examine the transport properties of a narrow quantum anomalous Hall system with dissipation applied on one edge. When the Fermi level resides within the hybridization gap, we find that while transport is suppressed on one edge, it is significantly enhanced on the other. We reveal that this enhancement arises from dissipation-induced gap closure, which is deeply rooted in the point gap topology of the system, resulting in a reduction of the decaying coefficient. When the dissipation is very large, we find that the low-energy physics is nearly indistinguishable from a narrower system, whose dissipation amplitude is inversely proportional to that of the original one. To get more physical intuition, we demonstrate that the low-energy physics can be well captured by a pair of coupled counter-propagating chiral edge states, one of which has a modified group velocity and an effective dissipation. We also briefly discuss the possible experimental realizations of this enhanced unidirectional transport.

The friction coefficient of a particle can depend on its position as it does when the particle is near a wall. We formulate the dynamics of particles with such state-dependent friction coefficients in terms of a general Langevin equation with multiplicative noise, whose evaluation requires the introduction of specific rules. Two common conventions, the Ito and the Stratonovich, provide alternative rules for evaluation of the noise, but other conventions are possible. We show the requirement that a particle's distribution function approach the Boltzmann distribution at long times dictates that a drift term must be added to the Langevin equation. This drift term is proportional to the derivative of the diffusion coefficient times a factor that depends on the convention used to define the multiplicative noise. We explore the consequences of this result in a number examples with spatially varying diffusion coefficients. We also derive path integral representations for arbitrary interpretation of the noise, and use it in a perturbative study of correlations in a simple system.

Lagrangian turbulence lies at the core of numerous applied and fundamental problems related to the physics of dispersion and mixing in engineering, bio-fluids, atmosphere, oceans, and astrophysics. Despite exceptional theoretical, numerical, and experimental efforts conducted over the past thirty years, no existing models are capable of faithfully reproducing statistical and topological properties exhibited by particle trajectories in turbulence. We propose a machine learning approach, based on a state-of-the-art diffusion model, to generate single-particle trajectories in three-dimensional turbulence at high Reynolds numbers, thereby bypassing the need for direct numerical simulations or experiments to obtain reliable Lagrangian data. Our model demonstrates the ability to reproduce most statistical benchmarks across time scales, including the fat-tail distribution for velocity increments, the anomalous power law, and the increased intermittency around the dissipative scale. Slight deviations are observed below the dissipative scale, particularly in the acceleration and flatness statistics. Surprisingly, the model exhibits strong generalizability for extreme events, producing events of higher intensity and rarity that still match the realistic statistics. This paves the way for producing synthetic high-quality datasets for pre-training various downstream applications of Lagrangian turbulence.

Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements (mu, nu) are coupled to covariates, a challenging conditional distribution learning setting arises. Existing approaches for learning a global transport map parameterized through a potentially unseen context utilize Neural OT and largely rely on Brenier's theorem. Here, we propose a first-of-its-kind quantum computing formulation for amortized optimization of contextualized transportation plans. We exploit a direct link between doubly stochastic matrices and unitary operators thus unravelling a natural connection between OT and quantum computation. We verify our method (QontOT) on synthetic and real data by predicting variations in cell type distributions conditioned on drug dosage. Importantly we conduct a 24-qubit hardware experiment on a task challenging for classical computers and report a performance that cannot be matched with our classical neural OT approach. In sum, this is a first step toward learning to predict contextualized transportation plans through quantum computing.

Recent successful generative models are trained by fitting a neural network to an a-priori defined tractable probability density path taking noise to training examples. In this paper we investigate the space of Gaussian probability paths, which includes diffusion paths as an instance, and look for an optimal member in some useful sense. In particular, minimizing the Kinetic Energy (KE) of a path is known to make particles' trajectories simple, hence easier to sample, and empirically improve performance in terms of likelihood of unseen data and sample generation quality. We investigate Kinetic Optimal (KO) Gaussian paths and offer the following observations: (i) We show the KE takes a simplified form on the space of Gaussian paths, where the data is incorporated only through a single, one dimensional scalar function, called the data separation function. (ii) We characterize the KO solutions with a one dimensional ODE. (iii) We approximate data-dependent KO paths by approximating the data separation function and minimizing the KE. (iv) We prove that the data separation function converges to 1 in the general case of arbitrary normalized dataset consisting of n samples in d dimension as n/drightarrow 0. A consequence of this result is that the Conditional Optimal Transport (Cond-OT) path becomes kinetic optimal as n/drightarrow 0. We further support this theory with empirical experiments on ImageNet.

Dynamic neuroimaging data, such as emission tomography measurements of radiotracer transport in blood or cerebrospinal fluid, often exhibit diffusion-like properties. These introduce distance-dependent temporal delays, scale-differences, and stretching effects that limit the effectiveness of conventional linear modeling and decomposition methods. To address this, we present the shift- and stretch-invariant non-negative matrix factorization framework. Our approach estimates both integer and non-integer temporal shifts as well as temporal stretching, all implemented in the frequency domain, where shifts correspond to phase modifications, and where stretching is handled via zero-padding or truncation. The model is implemented in PyTorch (https://github.com/anders-s-olsen/shiftstretchNMF). We demonstrate on synthetic data and brain emission tomography data that the model is able to account for stretching to provide more detailed characterization of brain tissue structure.

We review theoretical and experimental highlights in transport in two-dimensional materials focussing on key developments over the last five years. Topological insulators are finding applications in magnetic devices, while Hall transport in doped samples and the general issue of topological protection remain controversial. In transition metal dichalcogenides valley-dependent electrical and optical phenomena continue to stimulate state-of-the-art experiments. In Weyl semimetals the properties of Fermi arcs are being actively investigated. A new field, expected to grow in the near future, focuses on the non-linear electrical and optical responses of topological materials, where fundamental questions are once more being asked about the intertwining roles of the Berry curvature and disorder scattering. In topological superconductors the quest for chiral superconductivity, Majorana fermions and topological quantum computing is continuing apace.

How momentum, energy, and magnetic fields are transported in the presence of macroscopic gradients is a fundamental question in plasma physics. Answering this question is especially challenging for weakly collisional, magnetized plasmas, where macroscopic gradients influence the plasma's microphysical structure. In this paper, we introduce thermodynamic forcing, a new method for systematically modeling how macroscopic gradients in magnetized or unmagnetized plasmas shape the distribution functions of constituent particles. In this method, we propose to apply an anomalous force to those particles inducing the anisotropy that would naturally emerge due to macroscopic gradients in weakly collisional plasmas. We implement thermodynamic forcing in particle-in-cell (TF-PIC) simulations using a modified Vay particle pusher and validate it against analytic solutions of the equations of motion. We then carry out a series of simulations of electron-proton plasmas with periodic boundary conditions using TF-PIC. First, we confirm that the properties of two electron-scale kinetic instabilities -- one driven by a temperature gradient and the other by pressure anisotropy -- are consistent with previous results. Then, we demonstrate that in the presence of multiple macroscopic gradients, the saturated state can differ significantly from current expectations. This work enables, for the first time, systematic and self-consistent transport modeling in weakly collisional plasmas, with broad applications in astrophysics, laser-plasma physics, and inertial confinement fusion.

To measure the difference between two probability distributions, referred to as the source and target, respectively, we exploit both the chain rule and Bayes' theorem to construct conditional transport (CT), which is constituted by both a forward component and a backward one. The forward CT is the expected cost of moving a source data point to a target one, with their joint distribution defined by the product of the source probability density function (PDF) and a source-dependent conditional distribution, which is related to the target PDF via Bayes' theorem. The backward CT is defined by reversing the direction. The CT cost can be approximated by replacing the source and target PDFs with their discrete empirical distributions supported on mini-batches, making it amenable to implicit distributions and stochastic gradient descent-based optimization. When applied to train a generative model, CT is shown to strike a good balance between mode-covering and mode-seeking behaviors and strongly resist mode collapse. On a wide variety of benchmark datasets for generative modeling, substituting the default statistical distance of an existing generative adversarial network with CT is shown to consistently improve the performance. PyTorch code is provided.

Connecting optimal transport and variational inference, we present a principled and systematic framework for sampling and generative modelling centred around divergences on path space. Our work culminates in the development of the Controlled Monte Carlo Diffusion sampler (CMCD) for Bayesian computation, a score-based annealing technique that crucially adapts both forward and backward dynamics in a diffusion model. On the way, we clarify the relationship between the EM-algorithm and iterative proportional fitting (IPF) for Schr{\"o}dinger bridges, deriving as well a regularised objective that bypasses the iterative bottleneck of standard IPF-updates. Finally, we show that CMCD has a strong foundation in the Jarzinsky and Crooks identities from statistical physics, and that it convincingly outperforms competing approaches across a wide array of experiments.

We introduce a technique for extracting microstructural geometry from NMR lineshape analysis in porous materials at angstrom-scale resolution with the use of weak magnetic field gradients. Diverging from the generally held view of FID signals undergoing simple exponential decay, we show that a detailed analysis of the line shape can unravel structural geometry on much smaller scales than previously thought. While the original q-space PFG NMR relies on strong magnetic field gradients in order to achieve high spatial resolution, our current approach reaches comparable or higher resolution using much weaker gradients. As a model system, we simulated gas diffusion for xenon confined within carbon nanotubes over a range of temperatures and nanotube diameters in order to unveil manifestations of confinement in the diffusion behavior. We report a multiscale scheme that couples the above MD simulations with the generalized Langevin equation to estimate the transport properties of interest for this problem, such as diffusivity coefficients and NMR lineshapes, using the Green-Kubo correlation function to correctly evaluate time-dependent diffusion. Our results highlight how NMR methodologies can be adapted as effective means towards structural investigation at very small scales when dealing with complicated geometries. This method is expected to find applications in materials science, catalysis, biomedicine and other areas.

We revisit the problem of sampling from a target distribution that has a smooth strongly log-concave density everywhere in mathbb R^p. In this context, if no additional density information is available, the randomized midpoint discretization for the kinetic Langevin diffusion is known to be the most scalable method in high dimensions with large condition numbers. Our main result is a nonasymptotic and easy to compute upper bound on the Wasserstein-2 error of this method. To provide a more thorough explanation of our method for establishing the computable upper bound, we conduct an analysis of the midpoint discretization for the vanilla Langevin process. This analysis helps to clarify the underlying principles and provides valuable insights that we use to establish an improved upper bound for the kinetic Langevin process with the midpoint discretization. Furthermore, by applying these techniques we establish new guarantees for the kinetic Langevin process with Euler discretization, which have a better dependence on the condition number than existing upper bounds.

Inference-time steering enables pretrained diffusion/flow models to be adapted to new tasks without retraining. A widely used approach is the ratio-of-densities method, which defines a time-indexed target path by reweighting probability-density trajectories from multiple models with positive, or in some cases, negative exponents. This construction, however, harbors a critical and previously unformalized failure mode: Marginal Path Collapse, where intermediate densities become non-normalizable even though endpoints remain valid. Collapse arises systematically when composing heterogeneous models trained on different noise schedules or datasets, including a common setting in molecular design where de-novo, conformer, and pocket-conditioned models must be combined for tasks such as flexible-pose scaffold decoration. We provide a novel and complete solution for the problem. First, we derive a simple path existence criterion that predicts exactly when collapse occurs from noise schedules and exponents alone. Second, we introduce Adaptive path Correction with Exponents (ACE), which extends Feynman-Kac steering to time-varying exponents and guarantees a valid probability path. On a synthetic 2D benchmark and on flexible-pose scaffold decoration, ACE eliminates collapse and enables high-guidance compositional generation, improving distributional and docking metrics over constant-exponent baselines and even specialized task-specific scaffold decoration models. Our work turns ratio-of-densities steering with heterogeneous experts from an unstable heuristic into a reliable tool for controllable generation.

Given a set of K probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.

We investigate the time evolution of the Boltzmann entropy of a dilute gas of N particles, N>>1, as it undergoes a free expansion doubling its volume. The microstate of the system, a point in the 4N dimensional phase space, changes in time via Hamiltonian dynamics. Its entropy, at any time t, is given by the logarithm of the phase space volume of all the microstates giving rise to its macrostate at time t. The macrostates that we consider are defined by coarse graining the one-particle phase space into cells Δ_α. The initial and final macrostates of the system are equilibrium states in volumes V and 2V, with the same energy E and particle number N. Their entropy per particle is given, for sufficiently large systems, by the thermodynamic entropy as a function of the particle and energy density, whose leading term is independent of the size of the Δ_α. The intermediate (non-equilibrium) entropy does however depend on the size of the cells Δ_α. Its change with time is due to (i) dispersal in physical space from free motion and to (ii) the collisions between particles which change their velocities. The former depends strongly on the size of the velocity coarse graining Δv: it produces entropy at a rate proportional to Δv. This dependence is investigated numerically and analytically for a dilute two-dimensional gas of hard discs. It becomes significant when the mean free path between collisions is of the same order or larger than the length scale of the initial spatial inhomogeneity. In the opposite limit, the rate of entropy production is essentially independent of Δv and is given by the Boltzmann equation for the limit Δvrightarrow 0. We show that when both processes are active the time dependence of the entropy has a scaling form involving the ratio of the rates of its production by the two processes.

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.

A distribution shift can have fundamental consequences such as signaling a change in the operating environment or significantly reducing the accuracy of downstream models. Thus, understanding distribution shifts is critical for examining and hopefully mitigating the effect of such a shift. Most prior work focuses on merely detecting if a shift has occurred and assumes any detected shift can be understood and handled appropriately by a human operator. We hope to aid in these manual mitigation tasks by explaining the distribution shift using interpretable transportation maps from the original distribution to the shifted one. We derive our interpretable mappings from a relaxation of optimal transport, where the candidate mappings are restricted to a set of interpretable mappings. We then inspect multiple quintessential use-cases of distribution shift in real-world tabular, text, and image datasets to showcase how our explanatory mappings provide a better balance between detail and interpretability than baseline explanations by both visual inspection and our PercentExplained metric.

Data Assimilation (DA) plays a critical role in atmospheric science by reconstructing spatially continous estimates of the system state, which serves as initial conditions for scientific analysis. While recent advances in diffusion models have shown great potential for DA tasks, most existing approaches remain purely data-driven and often overlook the physical laws that govern complex atmospheric dynamics. As a result, they may yield physically inconsistent reconstructions that impair downstream applications. To overcome this limitation, we propose PhyDA, a physics-guided diffusion framework designed to ensure physical coherence in atmospheric data assimilation. PhyDA introduces two key components: (1) a Physically Regularized Diffusion Objective that integrates physical constraints into the training process by penalizing deviations from known physical laws expressed as partial differential equations, and (2) a Virtual Reconstruction Encoder that bridges observational sparsity for structured latent representations, further enhancing the model's ability to infer complete and physically coherent states. Experiments on the ERA5 reanalysis dataset demonstrate that PhyDA achieves superior accuracy and better physical plausibility compared to state-of-the-art baselines. Our results emphasize the importance of combining generative modeling with domain-specific physical knowledge and show that PhyDA offers a promising direction for improving real-world data assimilation systems.

A deep understanding of the physical world is a central goal for embodied AI and realistic simulation. While current models excel at capturing an object's surface geometry and appearance, they largely neglect its internal physical properties. This omission is critical, as properties like volumetric density are fundamental for predicting an object's center of mass, stability, and interaction dynamics in applications ranging from robotic manipulation to physical simulation. The primary bottleneck has been the absence of large-scale, real-world data. To bridge this gap, we introduce XDen-1K, the first large-scale, multi-modal dataset designed for real-world physical property estimation, with a particular focus on volumetric density. The core of this dataset consists of 1,000 real-world objects across 148 categories, for which we provide comprehensive multi-modal data, including a high-resolution 3D geometric model with part-level annotations and a corresponding set of real-world biplanar X-ray scans. Building upon this data, we introduce a novel optimization framework that recovers a high-fidelity volumetric density field of each object from its sparse X-ray views. To demonstrate its practical value, we add X-ray images as a conditioning signal to an existing segmentation network and perform volumetric segmentation. Furthermore, we conduct experiments on downstream robotics tasks. The results show that leveraging the dataset can effectively improve the accuracy of center-of-mass estimation and the success rate of robotic manipulation. We believe XDen-1K will serve as a foundational resource and a challenging new benchmark, catalyzing future research in physically grounded visual inference and embodied AI.

We demonstrate how collective memory emerges in decentralized multi-agent systems through the interplay between individual agent memory and environmental trace communication. Our agents maintain internal memory states while depositing persistent environmental traces, creating a spatially distributed collective memory without centralized control. Comprehensive validation across five environmental conditions (20x20 to 50x50 grids, 5-20 agents, 50 runs per configuration) reveals a critical asymmetry: individual memory alone provides 68.7% performance improvement over no-memory baselines (1563.87 vs 927.23, p < 0.001), while environmental traces without memory fail completely. This demonstrates that memory functions independently but traces require cognitive infrastructure for interpretation. Systematic density-sweep experiments (rho in [0.049, 0.300], up to 625 agents) validate our theoretical phase transition prediction. On realistic large grids (30x30, 50x50), stigmergic coordination dominates above rho ~ 0.20, with traces outperforming memory by 36-41% on composite metrics despite lower food efficiency. The experimental crossover confirms the predicted critical density rho_c = 0.230 within 13% error.

Observed dwarf galaxies tend to have linearly rising rotation curves, which indicate flat density cores in their centers. Furthermore, disk galaxies show a wide range of rotation curves shapes. High resolution simulations of cold collisionless dark matter do not reproduce flat central profiles, or the observed diversity of rotation curve shapes; even hydrodynamic simulations incorporating baryonic feedback cannot do that robustly. However, numerical simulations are not the only way to make predictions about density profiles of equilibrium dark matter halos. A theoretical model based on statistical mechanics shows that maximum entropy solutions for cold collisionless self-gravitating dark matter halos can have a range of inner density profiles, including flat density cores. These theoretical profiles, called DARKexp, have only one shape parameter, and are able to fit the observed rotation curves of galaxies with last measured velocities in the range ~20-200 km/s. Here we present fits to 96 SPARC catalog galaxies, and the Milky Way. DARKexp also provides good fits to the projected stellar density distributions of ultrafaint dwarfs that show cores, suggesting that the dark matter halo hosts could have flat density cores. Thus, DARKexp appears to be able to address the core-cusp problem and the diversity of rotation curves with cold collisionless dark matter alone, without baryonic feedback.

Adaptation methods have been a workhorse for unlocking the transformative power of pre-trained diffusion models in diverse applications. Existing approaches often abstract adaptation objectives as a reward function and steer diffusion models to generate high-reward samples. However, these approaches can incur high computational overhead due to additional training, or rely on stringent assumptions on the reward such as differentiability. Moreover, despite their empirical success, theoretical justification and guarantees are seldom established. In this paper, we propose DOIT (Doob-Oriented Inference-time Transformation), a training-free and computationally efficient adaptation method that applies to generic, non-differentiable rewards. The key framework underlying our method is a measure transport formulation that seeks to transport the pre-trained generative distribution to a high-reward target distribution. We leverage Doob's h-transform to realize this transport, which induces a dynamic correction to the diffusion sampling process and enables efficient simulation-based computation without modifying the pre-trained model. Theoretically, we establish a high probability convergence guarantee to the target high-reward distribution via characterizing the approximation error in the dynamic Doob's correction. Empirically, on D4RL offline RL benchmarks, our method consistently outperforms state-of-the-art baselines while preserving sampling efficiency.

State density distribution, in contrast to worst-case reachability, can be leveraged for safety-related problems to better quantify the likelihood of the risk for potentially hazardous situations. In this work, we propose a data-driven method to compute the density distribution of reachable states for nonlinear and even black-box systems. Our semi-supervised approach learns system dynamics and the state density jointly from trajectory data, guided by the fact that the state density evolution follows the Liouville partial differential equation. With the help of neural network reachability tools, our approach can estimate the set of all possible future states as well as their density. Moreover, we could perform online safety verification with probability ranges for unsafe behaviors to occur. We use an extensive set of experiments to show that our learned solution can produce a much more accurate estimate on density distribution, and can quantify risks less conservatively and flexibly comparing with worst-case analysis.

Optimal transport (OT) theory focuses, among all maps T:R^drightarrow R^d that can morph a probability measure onto another, on those that are the ``thriftiest'', i.e. such that the averaged cost c(x, T(x)) between x and its image T(x) be as small as possible. Many computational approaches have been proposed to estimate such Monge maps when c is the ell_2^2 distance, e.g., using entropic maps [Pooladian'22], or neural networks [Makkuva'20, Korotin'20]. We propose a new model for transport maps, built on a family of translation invariant costs c(x, y):=h(x-y), where h:=1{2}|cdot|_2^2+tau and tau is a regularizer. We propose a generalization of the entropic map suitable for h, and highlight a surprising link tying it with the Bregman centroids of the divergence D_h generated by h, and the proximal operator of tau. We show that choosing a sparsity-inducing norm for tau results in maps that apply Occam's razor to transport, in the sense that the displacement vectors Delta(x):= T(x)-x they induce are sparse, with a sparsity pattern that varies depending on x. We showcase the ability of our method to estimate meaningful OT maps for high-dimensional single-cell transcription data, in the 34000-d space of gene counts for cells, without using dimensionality reduction, thus retaining the ability to interpret all displacements at the gene level.

Accurate air quality forecasting is crucial for protecting public health and guiding environmental policy, yet it remains challenging due to nonlinear spatiotemporal dynamics, wind-driven transport, and distribution shifts across regions. Physics-based models are interpretable but computationally expensive and often rely on restrictive assumptions, whereas purely data-driven models can be accurate but may lack robustness and calibrated uncertainty. To address these limitations, we propose Neural Dynamic Diffusion-Advection Fields (NeuroDDAF), a physics-informed forecasting framework that unifies neural representation learning with open-system transport modeling. NeuroDDAF integrates (i) a GRU-Graph Attention encoder to capture temporal dynamics and wind-aware spatial interactions, (ii) a Fourier-domain diffusion-advection module with learnable residuals, (iii) a wind-modulated latent Neural ODE to model continuous-time evolution under time-varying connectivity, and (iv) an evidential fusion mechanism that adaptively combines physics-guided and neural forecasts while quantifying uncertainty. Experiments on four urban datasets (Beijing, Shenzhen, Tianjin, and Ancona) across 1-3 day horizons show that NeuroDDAF consistently outperforms strong baselines, including AirPhyNet, achieving up to 9.7% reduction in RMSE and 9.4% reduction in MAE on long-term forecasts. On the Beijing dataset, NeuroDDAF attains an RMSE of 41.63 μg/m^3 for 1-day prediction and 48.88 μg/m^3 for 3-day prediction, representing the best performance among all compared methods. In addition, NeuroDDAF improves cross-city generalization and yields well-calibrated uncertainty estimates, as confirmed by ensemble variance analysis and case studies under varying wind conditions.

High-fidelity scientific simulations are now producing unprecedented amounts of data, creating a storage and analysis bottleneck. A single simulation can generate tremendous data volumes, often forcing researchers to discard valuable information. A prime example of this is plasma turbulence described by the gyrokinetic equations: nonlinear, multiscale, and 5D in phase space. It constitutes one of the most computationally demanding frontiers of modern science, with runs taking weeks and yielding tens of terabytes of data dumps. The increasing storage demands underscore the importance of compression. However, reconstructed snapshots do not necessarily preserve essential physical quantities. We present a spatiotemporal evaluation pipeline, accounting for structural phenomena and multi-scale transient fluctuations to assess the degree of physical fidelity. Indeed, we find that various compression techniques lack preservation of both spatial mode structure and temporal turbulence characteristics. Therefore, we explore Physics-Informed Neural Compression (PINC), which incorporates physics-informed losses tailored to gyrokinetics and enables extreme compressions ratios of over 70,000x. Entropy coding on top of PINC further pushes it to 120,000x. This direction provides a viable and scalable solution to the prohibitive storage demands of gyrokinetics, enabling post-hoc analyses that were previously infeasible.

In this paper, we explore osmotic transport by means of molecular dynamics (MD) simulations. We first consider osmosis through a membrane, and investigate the reflection coefficient of an imperfectly semi-permeable membrane, in the dilute and high concentration regimes. We then explore the diffusion-osmotic flow of a solute-solvent fluid adjacent to a solid surface, driven by a chemical potential gradient parallel to the surface. We propose a novel non-equilibrium MD (NEMD) methodology to simulate diffusion-osmosis, by imposing an external force on every particle, which properly mimics the chemical potential gradient on the solute in spite of the periodic boundary conditions. This NEMD method is validated theoretically on the basis of linear-response theory by matching the mobility with their Green-Kubo expressions. Finally, we apply the framework to more realistic systems, namely a water-ethanol mixture in contact with a silica or a graphene surface.

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.

Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.

Optimal transport (OT) theory has been been used in machine learning to study and characterize maps that can push-forward efficiently a probability measure onto another. Recent works have drawn inspiration from Brenier's theorem, which states that when the ground cost is the squared-Euclidean distance, the ``best'' map to morph a continuous measure in P(Rd) into another must be the gradient of a convex function. To exploit that result, [Makkuva+ 2020, Korotin+2020] consider maps T=nabla f_theta, where f_theta is an input convex neural network (ICNN), as defined by Amos+2017, and fit theta with SGD using samples. Despite their mathematical elegance, fitting OT maps with ICNNs raises many challenges, due notably to the many constraints imposed on theta; the need to approximate the conjugate of f_theta; or the limitation that they only work for the squared-Euclidean cost. More generally, we question the relevance of using Brenier's result, which only applies to densities, to constrain the architecture of candidate maps fitted on samples. Motivated by these limitations, we propose a radically different approach to estimating OT maps: Given a cost c and a reference measure rho, we introduce a regularizer, the Monge gap M^c_{rho}(T) of a map T. That gap quantifies how far a map T deviates from the ideal properties we expect from a c-OT map. In practice, we drop all architecture requirements for T and simply minimize a distance (e.g., the Sinkhorn divergence) between Tsharpmu and nu, regularized by M^c_rho(T). We study M^c_{rho}, and show how our simple pipeline outperforms significantly other baselines in practice.

We develop a deep variational free energy framework to compute the equation of state of hydrogen in the warm dense matter region. This method parameterizes the variational density matrix of hydrogen nuclei and electrons at finite temperature using three deep generative models: a normalizing flow model that represents the Boltzmann distribution of the classical nuclei, an autoregressive transformer that models the distribution of electrons in excited states, and a permutational equivariant flow model that constructs backflow coordinates for electrons in Hartree-Fock orbitals. By jointly optimizing the three neural networks to minimize the variational free energy, we obtain the equation of state and related thermodynamic properties of dense hydrogen. We compare our results with other theoretical and experimental results on the deuterium Hugoniot curve, aiming to resolve existing discrepancies. The calculated results provide a valuable benchmark for deuterium in the warm dense matter region.

Entropic optimal transport (EOT) in continuous spaces with quadratic cost is a classical tool for solving the domain translation problem. In practice, recent approaches optimize a weak dual EOT objective depending on a single potential, but doing so is computationally not efficient due to the intractable log-partition term. Existing methods typically resolve this obstacle in one of two ways: by significantly restricting the transport family to obtain closed-form normalization (via Gaussian-mixture parameterizations), or by using general neural parameterizations that require simulation-based training procedures. We propose Variational Entropic Optimal Transport (VarEOT), based on an exact variational reformulation of the log-partition log E[exp(cdot)] as a tractable minimization over an auxiliary log-normalizer. This yields a differentiable learning objective optimized with stochastic gradients and avoids the necessity of MCMC simulations during the training. We provide theoretical guarantees, including finite-sample generalization bounds and approximation results under universal function approximation. Experiments on synthetic data and unpaired image-to-image translation demonstrate competitive or improved translation quality, while comparisons within the solvers that use the same weak dual EOT objective support the benefit of the proposed optimization principle. The code for our solver can be found at https://github.com/DrEternity/VarEOT .

Significant progress on parameter-free calculations of carrier mobilities in real materials has been made during the past decade; however, the role of various approximations remains unclear and a unified methodology is lacking. Here, we present and analyse a comprehensive and efficient approach to compute the intrinsic, phonon-limited drift and Hall carrier mobilities of semiconductors, within the framework of the first-principles Boltzmann transport equation. The methodology exploits a novel approach for estimating quadrupole tensors and including them in the electron-phonon interactions, and capitalises on a rigorous and efficient procedure for numerical convergence. The accuracy reached in this work allows to assess common approximations, including the role of exchange and correlation functionals, spin-orbit coupling, pseudopotentials, Wannier interpolation, Brillouin-zone sampling, dipole and quadrupole corrections, and the relaxation-time approximation. A detailed analysis is showcased on ten prototypical semiconductors, namely diamond, silicon, GaAs, 3C-SiC, AlP, GaP, c-BN, AlAs, AlSb, and SrO. By comparing this extensive dataset with available experimental data, we explore the intrinsic nature of phonon-limited carrier transport and magnetotransport phenomena in these compounds. We find that the most accurate calculations predict Hall mobilities up to a factor of two larger than experimental data; this could point to promising experimental improvements in the samples quality, or to the limitations of density-function theory in predicting the carrier effective masses and overscreening the electron-phonon matrix elements. By setting tight standards for reliability and reproducibility, the present work aims to facilitate validation and verification of data and software towards predictive calculations of transport phenomena in semiconductors.

This monograph presents the core principles that have guided the development of diffusion models, tracing their origins and showing how diverse formulations arise from shared mathematical ideas. Diffusion modeling starts by defining a forward process that gradually corrupts data into noise, linking the data distribution to a simple prior through a continuum of intermediate distributions. The goal is to learn a reverse process that transforms noise back into data while recovering the same intermediates. We describe three complementary views. The variational view, inspired by variational autoencoders, sees diffusion as learning to remove noise step by step. The score-based view, rooted in energy-based modeling, learns the gradient of the evolving data distribution, indicating how to nudge samples toward more likely regions. The flow-based view, related to normalizing flows, treats generation as following a smooth path that moves samples from noise to data under a learned velocity field. These perspectives share a common backbone: a time-dependent velocity field whose flow transports a simple prior to the data. Sampling then amounts to solving a differential equation that evolves noise into data along a continuous trajectory. On this foundation, the monograph discusses guidance for controllable generation, efficient numerical solvers, and diffusion-motivated flow-map models that learn direct mappings between arbitrary times. It provides a conceptual and mathematically grounded understanding of diffusion models for readers with basic deep-learning knowledge.

Type II orbital migration is a key process to regulate the mass and semimajor axis distribution of exoplanetary giant planets. The conventional formula of type II migration generally predicts too rapid inward migration to reconcile with the observed pile-up of gas giant beyond 1 au. Analyzing the recent high-resolution hydrodynamical simulations by Li et al. (2024) and Pan et al. (2025) that show robust outward migration of a gas accreting planet, we here clarify the condition for the outward migration to occur and derive a general semi-analytical formula that can be applied for broad range of planet mass and disk conditions. The striking outward migration is caused by azimuthal asymmetry in corotation torque exerted from cicumplanetary disk regions (connecting to horseshoe flow) that is produced by the planetary gas accretion, while the conventional inward migration model is based on radial asymmetry in the torques from the circumstellar protoplanetry disk. We found that the azimuthal asymmetry dominates and the migration is outward, when the gap depth defined by the surface density reduction factor of 1/(1+K') is in the range of 0.03 lesssim K' lesssim 50. Using simple models with the new formula, we demonstrate that the outward migration plays an important role in shaping the mass and semimajor axis distribution of gas giants. The concurrent dependence of planets' accretion rate and migration direction on their masses and disk properties potentially reproduces the observed pile-up of exoplanetary gas giants beyond 1 au, although more detailed planet population synthesis calculations are needed in the future.

We consider the incompressible Euler and Navier-Stokes equations on the three dimensional torus, in velocity form, perturbed by a transport or transport-stretching Stratonovich noise. Closed control of the noise contributions in energy estimates are demonstrated, for any positive integer ordered Sobolev Space and the equivalent Stokes Space; difficulty arises due to the presence of the Leray Projector disrupting cancellation of the top order derivative. This is particularly pertinent in the case of a transport noise without stretching, where the vorticity form cannot be used. As a consequence we obtain, for the first time, the existence of a local strong solution to the corresponding stochastic Euler equation. Furthermore, smooth solutions are shown to exist until blow-up in L^1left([0,T];W^{1,infty}right).

We study the self-diffusiophoresis of a spherical chemically active particle near a planar, impermeable wall, with a focus on the influence of particle orientation on propulsion. We analyze a Janus particle with asymmetric surface chemical activity, consisting of a small inert region within a catalytically active cap. While numerical simulations have been used to study such particles, they encounter difficulties resolving the flow and transport in the extreme near-wall regime due to geometric confinement and steep solute concentration gradients. We address this limitation through an asymptotic analysis in the near-contact limit, where the gap between the particle and the wall is narrow. In particular, we consider the distinguished limit in which the inert region is asymptotically comparable in size to the lubrication region. We analyze an axisymmetric configuration in which the inert face is oriented parallel to the wall and extend the analysis to slightly tilted orientations. We find that the capsize determines whether a tilted particle rotates back toward the axisymmetric state or continues to reorient, thereby characterizing its rotational stability in the near-contact regime.

We model a compact black hole-accretion disk system in the collapsar scenario with full transport, frequency dependent, general relativistic radiation magnetohydrodynamics. We examine whether or not winds from a collapsar disk can undergo rapid neutron capture (r-process) nucleosynthesis and significantly contribute to solar r-process abundances. We find the inclusion of accurate transport has significant effects on outflows, raising the electron fraction above Y_{rm e} sim 0.3 and preventing third peak r-process material from being synthesized. We analyze the time-evolution of neutrino processes and electron fraction in the disk and present a simple one-dimensional model for the vertical structure that emerges. We compare our simulation to semi-analytic expectations and argue that accurate neutrino transport and realistic initial and boundary conditions are required to capture the dynamics and nucleosynthetic outcome of a collapsar.

Identifying Out-of-distribution (OOD) data is becoming increasingly critical as the real-world applications of deep learning methods expand. Post-hoc methods modify softmax scores fine-tuned on outlier data or leverage intermediate feature layers to identify distinctive patterns between In-Distribution (ID) and OOD samples. Other methods focus on employing diverse OOD samples to learn discrepancies between ID and OOD. These techniques, however, are typically dependent on the quality of the outlier samples assumed. Density-based methods explicitly model class-conditioned distributions but this requires long training time or retraining the classifier. To tackle these issues, we introduce FlowCon, a new density-based OOD detection technique. Our main innovation lies in efficiently combining the properties of normalizing flow with supervised contrastive learning, ensuring robust representation learning with tractable density estimation. Empirical evaluation shows the enhanced performance of our method across common vision datasets such as CIFAR-10 and CIFAR-100 pretrained on ResNet18 and WideResNet classifiers. We also perform quantitative analysis using likelihood plots and qualitative visualization using UMAP embeddings and demonstrate the robustness of the proposed method under various OOD contexts. Code will be open-sourced post decision.

While surface-based view synthesis algorithms are appealing due to their low computational requirements, they often struggle to reproduce thin structures. In contrast, more expensive methods that model the scene's geometry as a volumetric density field (e.g. NeRF) excel at reconstructing fine geometric detail. However, density fields often represent geometry in a "fuzzy" manner, which hinders exact localization of the surface. In this work, we modify density fields to encourage them to converge towards surfaces, without compromising their ability to reconstruct thin structures. First, we employ a discrete opacity grid representation instead of a continuous density field, which allows opacity values to discontinuously transition from zero to one at the surface. Second, we anti-alias by casting multiple rays per pixel, which allows occlusion boundaries and subpixel structures to be modelled without using semi-transparent voxels. Third, we minimize the binary entropy of the opacity values, which facilitates the extraction of surface geometry by encouraging opacity values to binarize towards the end of training. Lastly, we develop a fusion-based meshing strategy followed by mesh simplification and appearance model fitting. The compact meshes produced by our model can be rendered in real-time on mobile devices and achieve significantly higher view synthesis quality compared to existing mesh-based approaches.

Air quality prediction and modelling plays a pivotal role in public health and environment management, for individuals and authorities to make informed decisions. Although traditional data-driven models have shown promise in this domain, their long-term prediction accuracy can be limited, especially in scenarios with sparse or incomplete data and they often rely on black-box deep learning structures that lack solid physical foundation leading to reduced transparency and interpretability in predictions. To address these limitations, this paper presents a novel approach named Physics guided Neural Network for Air Quality Prediction (AirPhyNet). Specifically, we leverage two well-established physics principles of air particle movement (diffusion and advection) by representing them as differential equation networks. Then, we utilize a graph structure to integrate physics knowledge into a neural network architecture and exploit latent representations to capture spatio-temporal relationships within the air quality data. Experiments on two real-world benchmark datasets demonstrate that AirPhyNet outperforms state-of-the-art models for different testing scenarios including different lead time (24h, 48h, 72h), sparse data and sudden change prediction, achieving reduction in prediction errors up to 10%. Moreover, a case study further validates that our model captures underlying physical processes of particle movement and generates accurate predictions with real physical meaning.

Autoregressive learning of time-stepping operators provides an effective approach to data-driven partial differential equation (PDE) simulation, yet for conservation laws, they face a fundamental challenge: learned updates may violate global conservation over long rollouts. For the important subclass of mass-conservation-type equations, the problem is compounded by inherent physical bounds (e.g., nonnegativity or concentrations in [0,1]) whose violation further destabilizes predictions. We introduce FluxNet, which learns cumulative transport amounts representing the total conserved quantity redistributed between each cell and a configurable neighborhood over the full surrogate interval. A conservative update guarantees exact discrete conservation by construction; modular capacity-constrained transport heads (L, U, and D) enforce lower bounds, upper bounds, or near-zero dual-bound violations through architectural design. Unlike flux-rate surrogates that require temporal integration and thus inherit CFL constraints, FluxNet involves no such integration; configurable transport neighborhoods enable large-timestep prediction at full spatial resolution. Ghost cells extend the framework to non-periodic boundaries. Experiments on four benchmarks (1D convection--diffusion, 2D shallow water, 1D traffic flow, 2D Cahn--Hilliard) demonstrate exact conservation, structural bound preservation, architecture modularity, and superior stability over flux-rate surrogates at large temporal strides. The code is publicly available at: https://github.com/Lan-zs/FluxNet.

We investigate properties of holographic strange metals in p+2-dimensions, generalizing the analysis performed in arXiv:0912.1061. The bulk spacetime is p+2-dimensional Lifshitz black hole, while the role of charge carriers is played by probe D-branes. We mainly focus on massless charge carriers, where most of the results can be obtained analytically. We obtain exact results for the free energy and calculate the entropy density, the heat capacity as well as the speed of sound at low temperature. We obtain the DC conductivity and DC Hall conductivity and find that the DC conductivity takes a universal form in the large density limit, while the Hall conductivity is also universal in all dimensions. We also study the resistivity in different limits and clarify the condition for the linear dependence on the temperature, which is a key feature of strange metals. We show that our results for the DC conductivity are consistent with those obtained via Kubo formula and we obtain the charge diffusion constant analytically. The corresponding properties of massive charge carriers are also discussed in brief.

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for training CNFs based on regressing vector fields of fixed conditional probability paths. Flow Matching is compatible with a general family of Gaussian probability paths for transforming between noise and data samples -- which subsumes existing diffusion paths as specific instances. Interestingly, we find that employing FM with diffusion paths results in a more robust and stable alternative for training diffusion models. Furthermore, Flow Matching opens the door to training CNFs with other, non-diffusion probability paths. An instance of particular interest is using Optimal Transport (OT) displacement interpolation to define the conditional probability paths. These paths are more efficient than diffusion paths, provide faster training and sampling, and result in better generalization. Training CNFs using Flow Matching on ImageNet leads to consistently better performance than alternative diffusion-based methods in terms of both likelihood and sample quality, and allows fast and reliable sample generation using off-the-shelf numerical ODE solvers.

The superfluid phase transition dynamics and associated spontaneous vortex formation with the crossing of the critical temperature in a disk geometry is studied in the framework of the AdS/CFT correspondence by solving the Einstein-Abelian-Higgs model in an AdS_4 black hole. For a slow quench, the vortex density admits a universal scaling law with the cooling rate as predicted by the Kibble-Zurek mechanism (KZM), while for fast quenches, the density shows a universal scaling behavior as a function of the final temperature, that lies beyond the KZM prediction. The vortex number distribution in both the power-law and saturation regimes can be approximated by a normal distribution. However, the study of the universal scaling of the cumulants reveals non-normal features and indicates that vortex statistics in the newborn superfluid is best described by the Poisson binomial distribution, previously predicted in the KZM regime [Phys. Rev. Lett. 124, 240602 (2020)]. This is confirmed by studying the cumulant scalings as a function of the quench time and the quench depth. Our work supports the existence of a universal defect number distribution that accommodates the KZM scaling, its breakdown at fast quenches, and the additional universal scaling laws as a function of the final value of the control parameter.

Probe branes with finite worldvolume electric flux in the background created by a stack of Dp branes describe holographically strongly interacting fundamental matter at finite density. We identify two quantities whose leading low temperature behavior is independent of the dimensionality of the probe branes: specific heat and DC conductivity. This behavior can be inferred from the dynamics of the fundamental strings which provide a good description of the probe branes in the regime of low temperatures and finite densities. We also comment on the speed of sound on the branes and the temperature dependence of DC conductivity at vanishing charge density.

The interdiffusion coefficients are estimated either following the Wagner's method expressed with respect to the composition (mol or atomic fraction) normalized variable after considering the molar volume variation or the den Broeder's method expressed with respect to the concentration (composition divided by the molar volume) normalized variable. On the other hand, the relations for estimation of the intrinsic diffusion coefficients of components as established by van Loo and integrated diffusion coefficients in a phase with narrow homogeneity range as established by Wagner are currently available with respect to the composition normalized variable only. In this study, we have first derived the relation proposed by den Broeder following the line of treatment proposed by Wagner. Further, the relations for estimation of the intrinsic diffusion coefficients of the components and integrated interdiffusion coefficient are established with respect to the concentration normalized variable, which were not available earlier. The veracity of these methods is examined based on the estimation of data in Ni-Pd, Ni-Al and Cu-Sn systems. Our analysis indicates that both the approaches are logically correct and there is small difference in the estimated data in these systems although a higher difference could be found in other systems. The integrated interdiffusion coefficients with respect to the concentration (or concentration normalized variable) can only be estimated considering the ideal molar volume variation. This might be drawback in certain practical systems.

We derive a minimalist but powerful deterministic denoising-diffusion model. While denoising diffusion has shown great success in many domains, its underlying theory remains largely inaccessible to non-expert users. Indeed, an understanding of graduate-level concepts such as Langevin dynamics or score matching appears to be required to grasp how it works. We propose an alternative approach that requires no more than undergrad calculus and probability. We consider two densities and observe what happens when random samples from these densities are blended (linearly interpolated). We show that iteratively blending and deblending samples produces random paths between the two densities that converge toward a deterministic mapping. This mapping can be evaluated with a neural network trained to deblend samples. We obtain a model that behaves like deterministic denoising diffusion: it iteratively maps samples from one density (e.g., Gaussian noise) to another (e.g., cat images). However, compared to the state-of-the-art alternative, our model is simpler to derive, simpler to implement, more numerically stable, achieves higher quality results in our experiments, and has interesting connections to computer graphics.

Tracing the water snowline in low-mass young stellar objects (YSOs) is important because dust grain growth is promoted and the chemical composition varies at the water snowline, which influences planet formation and its properties. In protostellar envelopes, the water snowline can be estimated as a function of luminosity using a relation derived from radiative transfer models, and these predictions are consistent with observations. However, accurately estimating the water snowline in protoplanetary disks requires new relations that account for the disk structure. We present the relations between luminosity and water snowline using the dust continuum radiative transfer models with various density structures. We adopt two-dimensional density structures for an envelope-only model (Model E), an envelope+disk+cavity model (Model E+D), and a protoplanetary disk model (Model PPD). The relations between the water snowline, where T_dust = 100 K, and the total luminosity, ranging 0.1-1,000 solar luminosity, are well fitted by a power-law relation, R_snow=a * (L/L_solar)^p au. The factor a decreases with increasing disk density, while the power index p has values around 0.5 in all models. As the disk becomes denser, the water snowline forms at smaller radii even at the same luminosity, since dense dust hinders photon propagation. We also explore the effect of viscous heating on the water snowline. In Model PPD with viscous heating, the water snowline shifts outward by a few au up to 15 au, increasing the factor a and decreasing the power index p. In Model E+D with lower disk mass, the effect of viscous heating is negligible, indicating that the disk mass controls the effect. The discrepancy between our models and direct observations provides insights into the recent outburst event and the presence of a disk structure in low-mass YSOs.

Accurately describing the distribution of CO_2 in the atmosphere with atmospheric tracer transport models is essential for greenhouse gas monitoring and verification support systems to aid implementation of international climate agreements. Large deep neural networks are poised to revolutionize weather prediction, which requires 3D modeling of the atmosphere. While similar in this regard, atmospheric transport modeling is subject to new challenges. Both, stable predictions for longer time horizons and mass conservation throughout need to be achieved, while IO plays a larger role compared to computational costs. In this study we explore four different deep neural networks (UNet, GraphCast, Spherical Fourier Neural Operator and SwinTransformer) which have proven as state-of-the-art in weather prediction to assess their usefulness for atmospheric tracer transport modeling. For this, we assemble the CarbonBench dataset, a systematic benchmark tailored for machine learning emulators of Eulerian atmospheric transport. Through architectural adjustments, we decouple the performance of our emulators from the distribution shift caused by a steady rise in atmospheric CO_2. More specifically, we center CO_2 input fields to zero mean and then use an explicit flux scheme and a mass fixer to assure mass balance. This design enables stable and mass conserving transport for over 6 months with all four neural network architectures. In our study, the SwinTransformer displays particularly strong emulation skill (90-day R^2 > 0.99), with physically plausible emulation even for forward runs of multiple years. This work paves the way forward towards high resolution forward and inverse modeling of inert trace gases with neural networks.

We present Density-Sampled Gaussians (DeG), a novel 3D representation designed to bridge the gap between adaptive rendering primitives and scalable generative modeling. Unlike existing approaches that constrain 3D Gaussians to fixed voxel grids or arrays, DeG models Gaussian centers as samples from a learnable probability density function defined over an octree. This formulation provides a rigorous mathematical framework for adaptive density control: by jointly optimizing the spatial density and Gaussian attributes under rendering supervision, our model naturally concentrates primitives in regions of high geometric complexity. We achieve this via a new render loss contribution gradient that serves as a fully differentiable analogue to the discrete densification and pruning heuristics used in standard Gaussian Splatting. The resulting representation is highly flexible, supporting variable-resolution decoding from a single latent code by simply adjusting the sampling budget. To enable generative synthesis, we train a latent diffusion model on DeG. We identify a critical challenge in applying diffusion to unordered set-structured latents, which can significantly slow convergence, and propose VecSeq, a canonical re-indexing mechanism that anchors latent tokens to a deterministic 3D Sobol sequence. This transforms the ambiguous set-generation problem into a robust sequence modeling task. Extensive experiments demonstrate that our pipeline achieves state-of-the-art quality in single-image-to-3D generation, combining the structural adaptivity of unstructured primitives with the training stability of grid-based methods.

Turbulent magnetic fields are to some extent a universal feature in astrophysical phenomena. Charged particles that encounter these turbulence get on average accelerated according to the so-called second-order Fermi process. However, in most astrophysical environments there are additional competing processes, such as different kinds of first-order energy changes and particle escape, that effect the resulting momentum distribution of the particles. In this work we provide to our knowledge the first semi-analytical solution of the isotropic steady-state momentum diffusion equation including continuous and catastrophic momentum changes that can be applied to any arbitrary astrophysical system of interest. Here, we adopt that the assigned magnetic turbulence is constrained on a finite range and the particle flux vanishes beyond these boundaries. Consequently, we show that the so-called pile-up bump -- that has for some special cases long been established -- is a universal feature of stochastic acceleration that emerges around the momentum chi_{rm eq} where acceleration and continuous loss are in equilibrium if the particle's residence time in the system is sufficient at chi_{rm eq}. In general, the impact of continuous and catastrophic momentum changes plays a crucial role in the shape of the steady-state momentum distribution of the accelerated particles, where simplified unbroken power-law approximations are often not adequate.

It is shown that in the complex trajectory representation of quantum mechanics, the Born's Psi^{\star}Ψprobability density can be obtained from the imaginary part of the velocity field of particles on the real axis. Extending this probability axiom to the complex plane, we first attempt to find a probability density by solving an appropriate conservation equation. The characteristic curves of this conservation equation are found to be the same as the complex paths of particles in the new representation. The boundary condition in this case is that the extended probability density should agree with the quantum probability rule along the real line. For the simple, time-independent, one-dimensional problems worked out here, we find that a conserved probability density can be derived from the velocity field of particles, except in regions where the trajectories were previously suspected to be nonviable. An alternative method to find this probability density in terms of a trajectory integral, which is easier to implement on a computer and useful for single particle solutions, is also presented. Most importantly, we show, by using the complex extension of Schrodinger equation, that the desired conservation equation can be derived from this definition of probability density.

The Earth's atmosphere is an aerosol, it contains suspended particles. When air flows over an obstacle such as an aircraft wing or tree branch, these particles may not follow the same paths as the air flowing around the obstacle. Instead the particles in the air may deviate from the path of the air and so collide with the surface of the obstacle. It is known that particle inertia can drive this deposition, and that there is a critical value of this inertia, below which no point particles deposit. Particle inertia is measured by the Stokes number, St. We show that near the critical value of the Stokes number, St_c, the amount of deposition has the unusual scaling law of exp(-1/(St-St_c)^{1/2}). The scaling is controlled by the stagnation point of the flow. This scaling is determined by the time for the particle to reach the surface of the cylinder varying as 1/(St-St_c)^{1/2}, together with the distance away from the stagnation point (perpendicular to the flow direction) increasing exponentially with time. The scaling law applies to inviscid flow, a model for flow at high Reynolds numbers. The unusual scaling means that the amount of particles deposited increases only very slowly above the critical Stokes number. This has consequences for applications ranging from rime formation and fog harvesting to pollination.

Accurate prediction of Lagrangian trajectories in turbulent flow remains challenging due to limited temporal information in transport functions. This paper shows that surrounding coherent motions sharing the same dynamics carry enough information to provide highly probable trajectories even from sparse temporal observations. The proposed coherent predictor builds on Lagrangian coherent structures (LCSs), the advective transport barriers that govern the cohesive motion of neighbouring particles. Coherent trajectories are quantified using a local segmentation with the finite-time Lyapunov exponents (FTLE). The coherent predictor incorporates information from the particle's position history and neighbouring coherent velocity and acceleration into a novel cost function to predict its trajectory. The proposed cost function follows a physics-informed approach where the position history acts as a data fidelity term and the coherent velocity and acceleration act as physics-based regularisation constraints. We assess our proposed approach using both three-dimensional (3D) synthetic and experimental data of the wake behind a smooth cylinder and two-dimensional (2D) homogeneous isotropic turbulent (HIT) flow. The coherent predictor is deemed generic due to its consistent behaviour regardless of flow dimensions, Reynolds number, and flow topology. Our results show that the optimal cost function parameters can be modelled from the measurement uncertainties, giving lower prediction error and uncertainty than current methods. We see direct signatures of flow topology on the prediction error map, including the cylinder leading edge boundary layer, the sideward shear layers, and the vortex formation structures. These topologies are marked by high Lagrangian gradients and 3D directional motions.

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible in closed form, so prior methods resort to imprecise approximations of the score matching training objective that degrade performance and preclude applications in high dimensions. In this work, we reexamine these approximations and propose several practical improvements. Our key observation is that most relevant manifolds are symmetric spaces, which are much more amenable to computation. By leveraging and combining various ans\"{a}tze, we can quickly compute relevant quantities to high precision. On low dimensional datasets, our correction produces a noticeable improvement, allowing diffusion to compete with other methods. Additionally, we show that our method enables us to scale to high dimensional tasks on nontrivial manifolds. In particular, we model QCD densities on SU(n) lattices and contrastively learned embeddings on high dimensional hyperspheres.

Diffusion models are generative models that have recently demonstrated impressive performances in terms of sampling quality and density estimation in high dimensions. They rely on a forward continuous diffusion process and a backward continuous denoising process, which can be described by a time-dependent vector field and is used as a generative model. In the original formulation of the diffusion model, this vector field is assumed to be the score function (i.e. it is the gradient of the log-probability at a given time in the diffusion process). Curiously, on the practical side, most studies on diffusion models implement this vector field as a neural network function and do not constrain it be the gradient of some energy function (that is, most studies do not constrain the vector field to be conservative). Even though some studies investigated empirically whether such a constraint will lead to a performance gain, they lead to contradicting results and failed to provide analytical results. Here, we provide three analytical results regarding the extent of the modeling freedom of this vector field. {Firstly, we propose a novel decomposition of vector fields into a conservative component and an orthogonal component which satisfies a given (gauge) freedom. Secondly, from this orthogonal decomposition, we show that exact density estimation and exact sampling is achieved when the conservative component is exactly equals to the true score and therefore conservativity is neither necessary nor sufficient to obtain exact density estimation and exact sampling. Finally, we show that when it comes to inferring local information of the data manifold, constraining the vector field to be conservative is desirable.

We present TraDE, a self-attention-based architecture for auto-regressive density estimation with continuous and discrete valued data. Our model is trained using a penalized maximum likelihood objective, which ensures that samples from the density estimate resemble the training data distribution. The use of self-attention means that the model need not retain conditional sufficient statistics during the auto-regressive process beyond what is needed for each covariate. On standard tabular and image data benchmarks, TraDE produces significantly better density estimates than existing approaches such as normalizing flow estimators and recurrent auto-regressive models. However log-likelihood on held-out data only partially reflects how useful these estimates are in real-world applications. In order to systematically evaluate density estimators, we present a suite of tasks such as regression using generated samples, out-of-distribution detection, and robustness to noise in the training data and demonstrate that TraDE works well in these scenarios.

This paper aims to develop an accurate 3D geometry representation of satellite images using satellite-ground image pairs. Our focus is on the challenging problem of 3D-aware ground-views synthesis from a satellite image. We draw inspiration from the density field representation used in volumetric neural rendering and propose a new approach, called Sat2Density. Our method utilizes the properties of ground-view panoramas for the sky and non-sky regions to learn faithful density fields of 3D scenes in a geometric perspective. Unlike other methods that require extra depth information during training, our Sat2Density can automatically learn accurate and faithful 3D geometry via density representation without depth supervision. This advancement significantly improves the ground-view panorama synthesis task. Additionally, our study provides a new geometric perspective to understand the relationship between satellite and ground-view images in 3D space.