Daily Papers

World models have recently re-emerged as a central paradigm for embodied intelligence, robotics, autonomous driving, and model-based reinforcement learning. However, current world model research is often dominated by three partially separated routes: 2D video-generative models that emphasize visual future synthesis, 3D scene-centric models that emphasize spatial reconstruction, and JEPA-like latent models that emphasize abstract predictive representations. While each route has made important progress, they still struggle to provide physically reliable, action-controllable, and long-horizon stable predictions for embodied decision making. In this paper, we argue that the bottleneck of world models is no longer only whether they can generate realistic futures, but whether those futures are physically meaningful and useful for action. We propose Hamiltonian World Models as a physically grounded perspective on world modeling. The key idea is to encode observations into a structured latent phase space, evolve the latent state through Hamiltonian-inspired dynamics with control, dissipation, and residual terms, decode the predicted trajectory into future observations, and use the resulting rollouts for planning. We discuss how Hamiltonian structure may improve interpretability, data efficiency, and long-horizon stability, while also noting practical challenges in real-world robotic scenes involving friction, contact, non-conservative forces, and deformable objects.

The Numerical Flow Iteration (NuFI) method has recently been proposed as a memory-slim solution method for the Vlasov--Poisson system. It stores the temporal evolution of the electric field, instead of the distribution functions, and reconstructs the solution in each time step by following the characteristics backwards in time and reconstructing the solution from the initial distribution. NuFI has been shown to be more accurate than other state-of-the-art Vlasov solvers given the same amount of degrees of freedom as well as interpolation order, essentially making NuFI a high-fidelity but low-memory cost scheme. In this paper, we build on the Hamiltonian structure of the full Vlasov--Maxwell system to extend NuFI to handle electro-magnetic kinetic plasma dynamics. We show that the advanced structure-preserving properties of NuFI are preserved when extending to the electro-magnetic case.

We provide conditions for existence of hyperbolic, unbounded periodic and elliptic solutions in terms of Weierstrass wp functions of both third and fifth-order KdV--BBM (Korteweg-de Vries--Benjamin, Bona \& Mahony) regularized long wave equation. An analysis for the initial value problem is developed together with a local and global well-posedness theory for the third-order KdV--BBM equation. Traveling wave reduction is used together with zero boundary conditions to yield solitons and periodic unbounded solutions, while for nonzero boundary conditions we find solutions in terms of Weierstrass elliptic wp functions. For the fifth-order KdV--BBM equation we show that a parameter γ=1{12}, for which the equation has a Hamiltonian, represents a restriction for which there are constraint curves that never intersect a region of unbounded solitary waves, which in turn shows that only dark or bright solitons and no unbounded solutions exist. Motivated by the lack of a Hamiltonian structure for γneq1{12} we develop H^k bounds, and we show for the non Hamiltonian system that dark and bright solitons coexist together with unbounded periodic solutions. For nonzero boundary conditions, due to the complexity of the nonlinear algebraic system of coefficients of the elliptic equation we construct Weierstrass solutions for a particular set of parameters only.

This study introduces amangkurat, an open-source Python library designed for the robust numerical simulation of relativistic scalar field dynamics governed by the nonlinear Klein-Gordon equation in (1+1)D spacetime. The software implements a hybrid computational strategy that couples Fourier pseudo-spectral spatial discretization with a symplectic Størmer-Verlet temporal integrator, ensuring both exponential spatial convergence for smooth solutions and long-term preservation of Hamiltonian structure. To optimize performance, the solver incorporates adaptive timestepping based on Courant-Friedrichs-Lewy (CFL) stability criteria and utilizes Just-In-Time (JIT) compilation for parallelized force computation. The library's capabilities are validated across four canonical physical regimes: dispersive linear wave propagation, static topological kink preservation in phi-fourth theory, integrable breather dynamics in the sine-Gordon model, and non-integrable kink-antikink collisions. Beyond standard numerical validation, this work establishes a multi-faceted analysis framework employing information-theoretic entropy metrics (Shannon, Rényi, and Tsallis), kernel density estimation, and phase space reconstruction to quantify the distinct phenomenological signatures of these regimes. Statistical hypothesis testing confirms that these scenarios represent statistically distinguishable dynamical populations. Benchmarks on standard workstation hardware demonstrate that the implementation achieves high computational efficiency, making it a viable platform for exploratory research and education in nonlinear field theory.

World models enable model-based planning through learned latent dynamics, but imagined rollouts become unstable as the planning horizon grows or the dynamics distribution shifts. We argue that this instability reflects two missing structures in planner-facing latents: history-conditioned memory for approximate Markov completeness, and geometric organization that separates configuration, momentum, and task semantics. We propose HaM-World (HMW), a structured world model that decomposes the latent state into a canonical (q, p) subspace and a context subspace c, while using Mamba selective state-space memory as the history-conditioned input to the same latent dynamics. Within this interface, (q, p) evolves through an energy-derived Hamiltonian vector field plus learnable residual/control dynamics, while c captures semantic, dissipative, and non-conservative factors. This gives the planner a single latent state shared by dynamics prediction, reward/value estimation, imagined rollouts, and CEM action search. On four DeepMind Control Suite tasks, HaM-World reaches the highest Avg. AUC (117.9, +9.5%), reduces long-horizon rollout error to 45% of a strong baseline model, and wins 11/12 k in {3,5,7} MSE cells. Under 12 OOD perturbations spanning dynamics shifts, action delay, and observation masking, HaM-World achieves the highest return in every condition, with average OOD-return gains of 10.2% on Finger Spin and 13.6% on Reacher Easy. Mechanism diagnostics further show bounded action-free Hamiltonian-energy drift, structured energy variation under policy rollouts, and coherent control-induced energy transfer, supporting the intended Soft-Hamiltonian dynamics design.

Learning to simulate complex physical systems from data has emerged as a promising way to overcome the limitations of traditional numerical solvers, which often require prohibitive computational costs for high-fidelity solutions. Recent Graph Neural Simulators (GNSs) accelerate simulations by learning dynamics on graph-structured data, yet often struggle to capture long-range interactions and suffer from error accumulation under autoregressive rollouts. To address these challenges, we propose Information-preserving Graph Neural Simulators (IGNS), a graph-based neural simulator built on the principles of Hamiltonian dynamics. This structure guarantees preservation of information across the graph, while extending to port-Hamiltonian systems allows the model to capture a broader class of dynamics, including non-conservative effects. IGNS further incorporates a warmup phase to initialize global context, geometric encoding to handle irregular meshes, and a multi-step training objective that facilitates PDE matching, where the trajectory produced by integrating the port-Hamiltonian core aligns with the ground-truth trajectory, thereby reducing rollout error. To evaluate these properties systematically, we introduce new benchmarks that target long-range dependencies and challenging external forcing scenarios. Across all tasks, IGNS consistently outperforms state-of-the-art GNSs, achieving higher accuracy and stability under challenging and complex dynamical systems. Our project page: https://thobotics.github.io/neural_pde_matching.

We present a novel structure-preserving framework for solving the Vlasov-Poisson-Landau system of equations using a particle in cell (PIC) discretization combined with discrete gradient time integrators. The Vlasov-Poisson-Landau system is an accurate model for studying hot plasma dynamics at a kinetic scale where small-angle Coulomb collisions dominate. Our scheme guarantees conservation of mass, momentum and energy as well as preservation of the monotonicity of entropy production in both the time-continuous and discrete systems. We employ the conservative integrator for both the Hamiltonian Vlasov-Poisson equations and the dissipative Landau equation using the PETSc library (www.mcs.anl.gov/petsc) to showcase structure-preserving properties.

Clustering aims to group unlabelled samples based on their similarities. It has become a significant tool for the analysis of high-dimensional data. However, most of the clustering methods merely generate pseudo labels and thus are unable to simultaneously present the similarities between different clusters and outliers. This paper proposes a new framework called High-dimensional Clustering onto Hamiltonian Cycle (HCHC) to solve the above problems. First, HCHC combines global structure with local structure in one objective function for deep clustering, improving the labels as relative probabilities, to mine the similarities between different clusters while keeping the local structure in each cluster. Then, the anchors of different clusters are sorted on the optimal Hamiltonian cycle generated by the cluster similarities and mapped on the circumference of a circle. Finally, a sample with a higher probability of a cluster will be mapped closer to the corresponding anchor. In this way, our framework allows us to appreciate three aspects visually and simultaneously - clusters (formed by samples with high probabilities), cluster similarities (represented as circular distances), and outliers (recognized as dots far away from all clusters). The experiments illustrate the superiority of HCHC.

Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as density functional theory (DFT). While numerous quantum chemistry datasets focus on chemical properties and atomic forces, the ability to achieve accurate and efficient prediction of the Hamiltonian matrix is highly desired, as it is the most important and fundamental physical quantity that determines the quantum states of physical systems and chemical properties. In this work, we generate a new Quantum Hamiltonian dataset, named as QH9, to provide precise Hamiltonian matrices for 999 or 2998 molecular dynamics trajectories and 130,831 stable molecular geometries, based on the QM9 dataset. By designing benchmark tasks with various molecules, we show that current machine learning models have the capacity to predict Hamiltonian matrices for arbitrary molecules. Both the QH9 dataset and the baseline models are provided to the community through an open-source benchmark, which can be highly valuable for developing machine learning methods and accelerating molecular and materials design for scientific and technological applications. Our benchmark is publicly available at https://github.com/divelab/AIRS/tree/main/OpenDFT/QHBench.

Machine learning frameworks for physical problems must capture and enforce physical constraints that preserve the structure of dynamical systems. Many existing approaches achieve this by integrating physical operators into neural networks. While these methods offer theoretical guarantees, they face two key limitations: (i) they primarily model local relations between adjacent time steps, overlooking longer-range or higher-level physical interactions, and (ii) they focus on forward simulation while neglecting broader physical reasoning tasks. We propose the Denoising Hamiltonian Network (DHN), a novel framework that generalizes Hamiltonian mechanics operators into more flexible neural operators. DHN captures non-local temporal relationships and mitigates numerical integration errors through a denoising mechanism. DHN also supports multi-system modeling with a global conditioning mechanism. We demonstrate its effectiveness and flexibility across three diverse physical reasoning tasks with distinct inputs and outputs.

We introduce featom, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or exponential, and the convergence can be systematically controlled by increasing the number and/or polynomial order of the finite element basis functions. The Dirac equation is solved using a squared Hamiltonian approach to eliminate spurious states. To address the slow convergence of the kappa=pm1 states due to divergent derivatives at the origin, we incorporate known asymptotic forms into the solutions. We achieve a high level of accuracy (10^{-8} Hartree) for total energies and eigenvalues of heavy atoms such as uranium in both Schr\"odinger and Dirac Kohn-Sham solutions. We provide detailed convergence studies and computational parameters required to attain commonly required accuracies. Finally, we compare our results with known analytic results as well as the results of other methods. In particular, we calculate benchmark results for atomic numbers (Z) from 1 to 92, verifying current benchmarks. We demonstrate significant speedup compared to the state-of-the-art shooting solver dftatom. An efficient, modular Fortran 2008 implementation, is provided under an open source, permissive license, including examples and tests, wherein particular emphasis is placed on the independence (no global variables), reusability, and generality of the individual routines.

We consider the task of predicting Hamiltonian matrices to accelerate electronic structure calculations, which plays an important role in physics, chemistry, and materials science. Motivated by the inherent relationship between the off-diagonal blocks of the Hamiltonian matrix and the SO(2) local frame, we propose a novel and efficient network, called QHNetV2, that achieves global SO(3) equivariance without the costly SO(3) Clebsch-Gordan tensor products. This is achieved by introducing a set of new efficient and powerful SO(2)-equivariant operations and performing all off-diagonal feature updates and message passing within SO(2) local frames, thereby eliminating the need of SO(3) tensor products. Moreover, a continuous SO(2) tensor product is performed within the SO(2) local frame at each node to fuse node features, mimicking the symmetric contraction operation. Extensive experiments on the large QH9 and MD17 datasets demonstrate that our model achieves superior performance across a wide range of molecular structures and trajectories, highlighting its strong generalization capability. The proposed SO(2) operations on SO(2) local frames offer a promising direction for scalable and symmetry-aware learning of electronic structures. Our code will be released as part of the AIRS library https://github.com/divelab/AIRS.

We attempt to reveal the geometry, emerged from the entanglement structure of any general N-party pure quantum many-body state by representing entanglement entropies corresponding to all 2^N bipartitions of the state by means of a generalized adjacency matrix. We show this representation is often exact and may lead to a geometry very different than suggested by the Hamiltonian. Moreover, in all the cases, it yields a natural entanglement contour, similar to previous proposals. The formalism is extended for conformal invariant systems, and a more insightful interpretation of entanglement is presented as a flow among different parts of the system.

Deep equilibrium models promise input-adaptive implicit computation: harder problems should demand more solver iterations, and the solved equilibrium should encode the result of genuine iterative inference. We report a cautionary study of a port-Hamiltonian DEQ with a learned initialization on two reasoning tasks -- ProofWriter entailment over frozen DeBERTa embeddings and a BFS-verified graph-reachability benchmark -- in which the implicit computation is a silent no-op. Across tasks, seeds, and controlled ablation arms, the solved equilibrium equals the solver's start point to numerical precision, and bypassing the solver entirely changes test accuracy by +0.00 percentage points in 18 of 19 training runs. Controlled interventions falsify the tempting explanation: removing the anchoring term reproduces every result, and retraining with noise-decoupled starts yields a solver that converges to the noisy start while the decoder learns to ignore it. The single escaping run diverges instead (|h^{*}-z_0|=171), producing a co-adapted noise channel whose removal improves accuracy. Iteration counts are uncorrelated with ground-truth difficulty (r=0.009), and the full apparatus never outperforms a two-layer MLP on either task. We trace the mechanism to gradient starvation along two distinct routes, show that the standard zeroing ablation is confounded and gives wildly seed-dependent answers where the correct substitution test gives a stable zero, and distill a four-test diagnostic protocol for auditing claimed implicit computation. All experiments run on a single free Colab GPU; code, raw logs, and analysis scripts are released.

Energy-based models (EBMs) implement inference as gradient descent on a learned Lyapunov function, yielding interpretable, structure-preserving alternatives to black-box neural ODEs and aligning naturally with physical AI. Yet their use in system identification remains limited, and existing architectures lack formal stability guarantees that globally preclude unstable modes. We address this gap by introducing an EBM framework for system identification with stable, dissipative, absorbing invariant dynamics. Unlike classical global Lyapunov stability, absorbing invariance expands the class of stability-preserving architectures, enabling more flexible and expressive EBMs. We extend EBM theory to nonsmooth activations by establishing negative energy dissipation via Clarke derivatives and deriving new conditions for radial unboundedness, exposing a stability-expressivity tradeoff in standard EBMs. To overcome this, we introduce a hybrid architecture with a dynamical visible layer and static hidden layers, prove absorbing invariance under mild assumptions, and show that these guarantees extend to port-Hamiltonian EBMs. Experiments on metric-deformed multi-well and ring systems validate the approach, showcasing how our hybrid EBM architecture combines expressivity with sound and provable safety guarantees by design.

Physics is based on probabilities as fundamental entities of a mathematical description. Expectation values of observables are computed according to the classical statistical rule. The overall probability distribution for one world covers all times. The quantum formalism arises once one focuses on the evolution of the time-local probabilistic information. Wave functions or the density matrix allow the formulation of a general linear evolution law for classical statistics. The quantum formalism for classical statistics is a powerful tool which allows us to implement for generalized Ising models the momentum observable with the associated Fourier representation. The association of operators to observables permits the computation of expectation values in terms of the density matrix by the usual quantum rule. We show that probabilistic cellular automata are quantum systems in a formulation with discrete time steps and real wave functions. With a complex structure the evolution operator for automata can be expressed in terms of a Hamiltonian involving fermionic creation and annihilation operators. The time-local probabilistic information amounts to a subsystem of the overall probabilistic system which is correlated with its environment consisting of the past and future. Such subsystems typically involve probabilistic observables for which only a probability distribution for their possible measurement values is available. Incomplete statistics does not permit to compute classical correlation functions for arbitrary subsystem-observables. Bell's inequalities are not generally applicable.

Recently, machine learning Hamiltonian (MLH) models have gained traction as fast approximations of electronic structures such as orbitals and electron densities, while also enabling direct evaluation of energies and forces from their predictions. However, despite their physical grounding, existing Hamiltonian models are evaluated mainly by reconstruction metrics, leaving it unclear how well they perform as energy-force predictors. We address this gap with a benchmark that computes energies and forces directly from predicted Hamiltonians. Within this framework, we propose QHFlow2, a state-of-the-art Hamiltonian model with an SO(2)-equivariant backbone and a two-stage edge update. QHFlow2 achieves 40% lower Hamiltonian error than the previous best model with fewer parameters. Under direct evaluation on MD17/rMD17, it is the first Hamiltonian model to reach NequIP-level force accuracy while achieving up to 20times lower energy MAE. On QH9, QHFlow2 reduces energy error by up to 20times compared to MACE. Finally, we demonstrate that QHFlow2 exhibits consistent scaling behavior with respect to model capacity and data, and that improvements in Hamiltonian accuracy effectively translate into more accurate energy and force computations.

Let G be a Lie group equipped with commuting left and right linear representations on a vector space V, and let GJoin V be the associated centered semidirect product. We develop a reduction scheme for covariant field theories on principal bundles with structure group GJoin V from both Lagrangian and Hamiltonian perspectives, obtaining the reduced Euler-Poincaré and Lie-Poisson field equations decomposed into their mathfrak g- and V-components, where mathfrak g is the Lie algebra of G. We also derive the reduced multisymplectic form formula, as well as the Noether and energy-momentum balance laws. Our reduction results are compared with those for principal bundles with standard semidirect-product structure groups, and the role of the centered variables is investigated: they retain the original two-sided geometric data and separate the left and right contributions via the heart and diamond operators. The framework is then applied to a two-sided matrix microstructural model and to the second-order jet group on mathbb R^r, G_r^2. For the matrix model, the conjugation representation decomposes Mat(3) into scalar, vector, and symmetric-traceless sectors, clarifying its precise relation to director and alignment-tensor variables without identifying it with standard nematodynamics. For the one-dimensional jet group on a (1+1)-dimensional Minkowski base, we obtain a semilinear symmetric-hyperbolic system and an exact traveling conversion front with explicit energy-momentum exchange between the linear- and quadratic-jet sectors. Its hyperbolic-target interpretation yields a conserved positive energy for the linearized perturbations. A nonlinear numerical experiment illustrates the reduced evolution and reconstruction of the group-valued field, with consistency assessed through mesh refinement and an independent wave-map computation.

The finite-temperature magnetic properties of Fe_xPd_{1-x} and Co_xPt_{1-x} alloys have been investigated. It is shown that the temperature-dependent magnetic behaviour of alloys, composed of originally magnetic and non-magnetic elements, cannot be described properly unless the coupling between magnetic moments at magnetic atoms (Fe,Co) mediated through the interactions with induced magnetic moments of non-magnetic atoms (Pd,Pt) is included. A scheme for the calculation of the Curie temperature (T_C) for this type of systems is presented which is based on the extended Heisenberg Hamiltonian with the appropriate exchange parameters J_{ij} obtained from {\em ab-initio} electronic structure calculations. Within the present study the KKR Green's function method has been used to calculate the J_{ij} parameters. A comparison of the obtained Curie temperatures for Fe_xPd_{1-x} and Co_xPt_{1-x} alloys with experimental data shows rather good agreement.

Hamiltonian mechanics is an effective tool to represent many physical processes with concise yet well-generalized mathematical expressions. A well-modeled Hamiltonian makes it easy for researchers to analyze and forecast many related phenomena that are governed by the same physical law. However, in general, identifying a functional or shared expression of the Hamiltonian is very difficult. It requires carefully designed experiments and the researcher's insight that comes from years of experience. We propose that meta-learning algorithms can be potentially powerful data-driven tools for identifying the physical law governing Hamiltonian systems without any mathematical assumptions on the representation, but with observations from a set of systems governed by the same physical law. We show that a well meta-trained learner can identify the shared representation of the Hamiltonian by evaluating our method on several types of physical systems with various experimental settings.

We introduce the generative quantum eigensolver (GQE), a new quantum computational framework that operates outside the variational quantum algorithm paradigm by applying classical generative models to quantum simulation. The GQE algorithm optimizes a classical generative model to produce quantum circuits with desired properties. Here, we develop a transformer-based implementation, which we name the generative pre-trained transformer-based (GPT) quantum eigensolver (GPT-QE). We show a proof-of-concept of training and pretraining of GPT-QE applied to electronic structure Hamiltonians, and demonstrate its ability illustrated by surpassing coupled cluster singles and doubles (CCSD) for the strong bond dissociation of the nitrogen molecule and approaching chemical accuracy. We also demonstrate the method on real quantum hardware.

Hamiltonian Monte Carlo has proven a remarkable empirical success, but only recently have we begun to develop a rigorous understanding of why it performs so well on difficult problems and how it is best applied in practice. Unfortunately, that understanding is confined within the mathematics of differential geometry which has limited its dissemination, especially to the applied communities for which it is particularly important. In this review I provide a comprehensive conceptual account of these theoretical foundations, focusing on developing a principled intuition behind the method and its optimal implementations rather of any exhaustive rigor. Whether a practitioner or a statistician, the dedicated reader will acquire a solid grasp of how Hamiltonian Monte Carlo works, when it succeeds, and, perhaps most importantly, when it fails.

Hamiltonian Monte Carlo provides efficient Markov transitions at the expense of introducing two free parameters: a step size and total integration time. Because the step size controls discretization error it can be readily tuned to achieve certain accuracy criteria, but the total integration time is left unconstrained. Recently Hoffman and Gelman proposed a criterion for tuning the integration time in certain systems with their No U-Turn Sampler, or NUTS. In this paper I investigate the dynamical basis for the success of NUTS and generalize it to Riemannian Manifold Hamiltonian Monte Carlo.

We consider the prediction of the Hamiltonian matrix, which finds use in quantum chemistry and condensed matter physics. Efficiency and equivariance are two important, but conflicting factors. In this work, we propose a SE(3)-equivariant network, named QHNet, that achieves efficiency and equivariance. Our key advance lies at the innovative design of QHNet architecture, which not only obeys the underlying symmetries, but also enables the reduction of number of tensor products by 92\%. In addition, QHNet prevents the exponential growth of channel dimension when more atom types are involved. We perform experiments on MD17 datasets, including four molecular systems. Experimental results show that our QHNet can achieve comparable performance to the state of the art methods at a significantly faster speed. Besides, our QHNet consumes 50\% less memory due to its streamlined architecture. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

Modeling of conservative systems with neural networks is an area of active research. A popular approach is to use Hamiltonian neural networks (HNNs) which rely on the assumptions that a conservative system is described with Hamilton's equations of motion. Many recent works focus on improving the integration schemes used when training HNNs. In this work, we propose to enhance HNNs with an estimation of a continuous-time trajectory of the modeled system using an additional neural network, called a deep hidden physics model in the literature. We demonstrate that the proposed integration scheme works well for HNNs, especially with low sampling rates, noisy and irregular observations.

In the graph node embedding problem, embedding spaces can vary significantly for different data types, leading to the need for different GNN model types. In this paper, we model the embedding update of a node feature as a Hamiltonian orbit over time. Since the Hamiltonian orbits generalize the exponential maps, this approach allows us to learn the underlying manifold of the graph in training, in contrast to most of the existing literature that assumes a fixed graph embedding manifold with a closed exponential map solution. Our proposed node embedding strategy can automatically learn, without extensive tuning, the underlying geometry of any given graph dataset even if it has diverse geometries. We test Hamiltonian functions of different forms and verify the performance of our approach on two graph node embedding downstream tasks: node classification and link prediction. Numerical experiments demonstrate that our approach adapts better to different types of graph datasets than popular state-of-the-art graph node embedding GNNs. The code is available at https://github.com/zknus/Hamiltonian-GNN.

This paper introduces an innovative approach to analyzing and improving multi-hop reasoning in AI systems by drawing inspiration from Hamiltonian mechanics. We propose a novel framework that maps reasoning chains in embedding spaces to Hamiltonian systems, allowing us to leverage powerful analytical tools from classical physics. Our method defines a Hamiltonian function that balances the progression of reasoning (kinetic energy) against the relevance to the question at hand (potential energy). Using this framework, we analyze a large dataset of reasoning chains from a multi-hop question-answering task, revealing intriguing patterns that distinguish valid from invalid reasoning. We show that valid reasoning chains have lower Hamiltonian energy and move in ways that make the best trade-off between getting more information and answering the right question. Furthermore, we demonstrate the application of this framework to steer the creation of more efficient reasoning algorithms within AI systems. Our results not only provide new insights into the nature of valid reasoning but also open up exciting possibilities for physics-inspired approaches to understanding and improving artificial intelligence.

Hamiltonian Monte Carlo (HMC) is a powerful algorithm to sample latent variables from Bayesian models. The advent of probabilistic programming languages (PPLs) frees users from writing inference algorithms and lets users focus on modeling. However, many models are difficult for HMC to solve directly, and often require tricks like model reparameterization. We are motivated by the fact that many of those models could be simplified by marginalization. We propose to use automatic marginalization as part of the sampling process using HMC in a graphical model extracted from a PPL, which substantially improves sampling from real-world hierarchical models.

I propose a Hamiltonian framework for chiral gauge theories (CGT) based on a Euclidean formulation which uses 2n dimensional chiral fermions on the boundary of a 2n+1 dimensional disk. In the original Euclidean formulation, boundary gauge fields were extended into the bulk using 2n + 1 dimensional gauge field equations of motion (EOM) which creates a bottleneck for constructing a Hamiltonian. I present an alternate proposal for extending the gauge fields into the bulk that is compatible with both a Hamiltonian framework and a Euclidean path integral. Applying this to Abelian gauge fields produces exact expressions of interior fields as a functional of the boundary fields, which can be directly used in a Hamiltonian formulation. Euclidean analysis of the new gauge field extension shows that it can preserve the non-perturbative content of the original construction, including the behavior of topological charge, associated chiral fermion zero modes and an absence of the strong CP problem when applied to the Standard Model. This construction opens up a route to a Hamiltonian treatment and future quantum simulation of CGTs on a disk boundary.

We introduce the category of information structures, whose objects are suitable diagrams of measurable sets that encode the possible outputs of a given family of observables and their mutual relationships of refinement; they serve as mathematical models of contextuality in classical and quantum settings. Each information structure can be regarded as a ringed site with trivial topology; the structure ring is generated by the observables themselves and its multiplication corresponds to joint measurement. We extend Baudot and Bennequin's definition of information cohomology to this setting, as a derived functor in the category of modules over the structure ring, and show explicitly that the bar construction gives a projective resolution in that category, recovering in this way the cochain complexes previously considered in the literature. Finally, we study the particular case of a one-parameter family of coefficients made of functions of probability distributions. The only 1-cocycles are Shannon entropy or Tsallis alpha-entropy, depending on the value of the parameter.

We propose using Normalizing Flows as a trainable kernel within the molecular dynamics update of Hamiltonian Monte Carlo (HMC). By learning (invertible) transformations that simplify our dynamics, we can outperform traditional methods at generating independent configurations. We show that, using a carefully constructed network architecture, our approach can be easily scaled to large lattice volumes with minimal retraining effort. The source code for our implementation is publicly available online at https://github.com/nftqcd/fthmc.

Machine Learning-based quantum error mitigation (ML-QEM) has emerged as a promising approach for improving the performance of noisy quantum algorithms. However, existing ML-QEM methods often have restricted applicability to variational circuits and rely on inaccessible noiseless training data. In this work, we propose a practical ML-QEM protocol tailored to variational quantum algorithms, which generates training data by simulating (near-)Clifford circuits. This data is used for model selection and training, producing a mitigation model that can correct variational circuits with arbitrary parameters and transfer across different target Hamiltonians of similar structure. We benchmark the proposed method on the Variational Quantum Eigensolver (VQE) task for the Sherrington-Kirkpatrick Hamiltonian of up to n=12 qubits under various noise models, analyzing its effect on trainability and comparing its performance against standard Zero-Noise Extrapolation (ZNE). The results demonstrate consistent several-fold error suppression across all tested settings and superior performance over ZNE in the high-noise regime, providing evidence for the applicability of the proposed protocol to present-day NISQ processors.

Recent advances in deep learning for physics have focused on discovering shared representations of target systems by incorporating physics priors or inductive biases into neural networks. While effective, these methods are limited to the system domain, where the type of system remains consistent and thus cannot ensure the adaptation to new, or unseen physical systems governed by different laws. For instance, a neural network trained on a mass-spring system cannot guarantee accurate predictions for the behavior of a two-body system or any other system with different physical laws. In this work, we take a significant leap forward by targeting cross domain generalization within the field of Hamiltonian dynamics. We model our system with a graph neural network and employ a meta learning algorithm to enable the model to gain experience over a distribution of tasks and make it adapt to new physics. Our approach aims to learn a unified Hamiltonian representation that is generalizable across multiple system domains, thereby overcoming the limitations of system-specific models. Our results demonstrate that the meta-trained model not only adapts effectively to new systems but also captures a generalized Hamiltonian representation that is consistent across different physical domains. Overall, through the use of meta learning, we offer a framework that achieves cross domain generalization, providing a step towards a unified model for understanding a wide array of dynamical systems via deep learning.

This paper introduces a novel Hamiltonian-inspired neural network approach to credit scoring, designed to address the challenges of class imbalance and out-of-time (OOT) prediction in financial risk management. Drawing from concepts in Hamiltonian mechanics, we develop a symplectic optimizer and a new loss function to capture the complex dynamics of credit risk evolution. Using the Freddie Mac Single-Family Loan-Level Dataset, we evaluate our model's performance against other machine learning approaches. Our method shows superior discriminative power in OOT scenarios, as measured by the Area Under the Curve (AUC), indicating better ranking ability and robustness to class imbalance. The Hamiltonian-inspired approach shows particular strength in maintaining consistent performance between in-sample and OOT test sets, suggesting improved generalization to future, unseen data. These findings suggest that physics-inspired techniques offer a promising direction for developing more robust and reliable credit scoring models, particularly in uncertain economic situations.

We generalize the Hamiltonian Monte Carlo algorithm with a stack of neural network layers and evaluate its ability to sample from different topologies in a two dimensional lattice gauge theory. We demonstrate that our model is able to successfully mix between modes of different topologies, significantly reducing the computational cost required to generated independent gauge field configurations. Our implementation is available at https://github.com/saforem2/l2hmc-qcd .

We study Krylov complexity for quantum systems whose Hamiltonians factorise as tensor products. We prove that complexity is superadditive under tensor products, C_{12}ge C_1+C_2, and identify a positive operator that quantifies the resulting excess complexity. The underlying mechanism is made transparent by introducing a Krylov graph representation in which tensor products generate a higher-dimensional lattice whose diagonal shells encode operator growth and binomial path multiplicities. In the continuum limit, Krylov dynamics reduces to diffusion on this graph, with superadditivity arising from geometric broadening across shells. Explicit examples illustrate how deviations from synchronous evolution generate bounded, oscillatory excess complexity.

State space models (SSM) have been widely applied for the analysis and visualization of large sequential datasets. Sequential Monte Carlo (SMC) is a very popular particle-based method to sample latent states from intractable posteriors. However, SSM is significantly influenced by the choice of the proposal. Recently Hamiltonian Monte Carlo (HMC) sampling has shown success in many practical problems. In this paper, we propose an SMC augmented by HMC (HSMC) for inference and model learning of nonlinear SSM, which can exempt us from learning proposals and reduce the model complexity significantly. Based on the measure preserving property of HMC, the particles directly generated by transition function can approximate the posterior of latent states arbitrarily well. In order to better adapt to the local geometry of latent space, the HMC is conducted on Riemannian manifold defined by a positive definite metric. In addition, we show that the proposed HSMC method can improve SSMs realized by both Gaussian Processes (GP) and Neural Network (NN).

We point out that the Lyapunov exponent of the eigenstate places restrictions on the eigenvalue. Consequently, with regard to non-Hermitian systems, even without any symmetry, the non-conservative Hamiltonians can exhibit real spectra as long as Lyapunov exponents of eigenstates inhibit imaginary parts of eigenvalues. Our findings open up a new route to study non-Hermitian physics.

Recently, sophisticated deep learning-based approaches have been developed for generating efficient initial guesses to accelerate the convergence of density functional theory (DFT) calculations. While the actual initial guesses are often density matrices (DM), quantities that can convert into density matrices also qualify as alternative forms of initial guesses. Hence, existing works mostly rely on the prediction of the Hamiltonian matrix for obtaining high-quality initial guesses. However, the Hamiltonian matrix is both numerically difficult to predict and intrinsically non-transferable, hindering the application of such models in real scenarios. In light of this, we propose a method that constructs DFT initial guesses by predicting the electron density in a compact auxiliary basis representation using E(3)-equivariant neural networks. Trained on small molecules with up to 20 atoms, our model is able to achieve an average 33.3% self-consistent field (SCF) step reduction on systems up to 60 atoms, substantially outperforming Hamiltonian-centric and DM-centric models. Critically, this acceleration remains nearly constant with increasing system sizes and exhibits strong transferring behaviors across orbital basis sets and exchange-correlation (XC) functionals. To the best of our knowledge, this work represents the first and robust candidate for a universally transferable DFT acceleration method. We are also releasing the SCFbench dataset and its accompanying code to facilitate future research in this promising direction.

A covariant formalism is used in order to examine the status of Maxwell equations and to unify the concept of balances, for all chemical engineering applications in relation with electrodynamics. The resulting formal structure serves as a discussion in studying the determinism of electromagnetic systems, and examining the theoretical foundations for a general classification of chemical engineering applications when non-conservative forces are concerned. A strategy for modeling such applications is then sketched and the balances for the main conserved and non-conserved extensive quantities are then summarized in their covariant and classical forms.

Let (M omega) be a two dimensional symplectic manifold, phi: M to M a symplectomorphism with hyperbolic fixed point x and transversely intersecting stable and unstable manifolds W^s(phi, x) cap W^u(phi, x)=:H(phi, x). The intersection points are called homoclinic points, and the stable and unstable manifold are in this situation Lagrangian submanifolds. For this Lagrangian intersection problem with its infinite number of intersection points and wild oscillation behavior, we first define a Floer homology generated by finite sets of so-called contractible homoclinic points. This generalizes very significantly the Floer homologies generated by (semi)primary points defined by us in earlier works. Nevertheless these Floer homologies only consider quite `local' aspects of W^s(phi, x) cap W^u(phi, x) since their generator sets are finite, but the number of all contractible homoclinic points is infinite. To overcome this issue, we construct a direct limit of these `local' homoclinic Floer homologies over suitable index sets. These direct limits thus accumulate the information gathered by the finitely generated local' homoclinic Floer homologies.

I introduce a novel mathematical framework integrating topological dynamics, operator algebras, and ergodic geometry to study lattices of asynchronous metric dynamical systems. Each node in the lattice carries an internal flow represented by a one-parameter family of operators, evolving on its own time scale. I formalize stratified state spaces capturing multiple levels of synchronized behavior, define an asynchronous evolution metric that quantifies phase-offset distances between subsystems, and characterize emergent coherent topologies arising when subsystems synchronize. Within this framework, I develop formal operators for the evolution of each subsystem and give precise conditions under which phase-aligned synchronization occurs across the lattice. The main results include: (1) the existence and uniqueness of coherent (synchronized) states under a contractive coupling condition, (2) stability of these coherent states and criteria for their emergence as a collective phase transition in a continuous operator topology, and (3) the influence of symmetries, with group-invariant coupling leading to flow-invariant synchrony subspaces and structured cluster dynamics. Proofs are given for each theorem, demonstrating full mathematical rigor. In a final section, I discuss hypothetical applications of this framework to symbolic lattice systems (e.g. subshifts), to invariant group actions on dynamical lattices, and to operator fields over stratified manifolds in the spirit of noncommutative geometry. Throughout, I write in the first person to emphasize the exploratory nature of this work. The paper avoids any reference to cosmology or observers, focusing instead on clean, formal mathematics suitable for a broad array of dynamical systems.

For a positive integer k, a graph property H, and a graph parameter P, let ex_{P}(n, H; δgeq k) denote the maximum value of P over all n-vertex graphs with minimum degree at least k that do not possess the property H. The corresponding extremal families are denoted by EX_{P}(n, H; δgeq k). For two disjoint graphs H_1 and H_2, let H_1 cup H_2 denote their (disjoint) union, i.e., the graph with vertex set V(H_1) cup V(H_2) and edge set E(H_1) cup E(H_2); and let H_1 vee H_2 denote their join. In 1962, Erdős established a classical theorem on the maximum number of edges in a non-Hamiltonian graph of given order and minimum degree. Motivated by recent work on feasible graph parameters in Ai2023, we prove several extensions of Erdős's 1962 theorem on non-Hamiltonian graphs. The first result gives a common generalization of the extremal theorem due to Erdős and its spectral analogs. As direct applications, we obtain complete solutions to open problems raised in the literature since 2016, thereby improving nearly all related prior results in this direction. Our proof technique differs somewhat from those in MR3539577,MR3556876. We also prove an analog theorem for the Hamiltonian-connected property and obtain a result which extends the theorem of Füredi, Kostochka, and Luo MR3843180 on Hamilton cycles.

Quantum computation is an emerging technology with important potential for solving certain problems pivotal in various scientific and engineering disciplines. This paper introduces an efficient quantum protocol for the explicit construction of the block-encoding for an important class of Hamiltonians. Using the Schrodingerisation technique -- which converts non-conservative PDEs into conservative ones -- this particular class of Hamiltonians is shown to be sufficient for simulating any linear partial differential equations that have coefficients which are polynomial functions. The class of Hamiltonians consist of discretisations of polynomial products and sums of position and momentum operators. This construction is explicit and leverages minimal one- and two-qubit operations. The explicit construction of this block-encoding forms a fundamental building block for constructing the unitary evolution operator for this Hamiltonian. The proposed algorithm exhibits polynomial scaling with respect to the spatial partitioning size, suggesting an exponential speedup over classical finite-difference methods. This work provides an important foundation for building explicit and efficient quantum circuits for solving partial differential equations.

Classical hardness-of-sampling results are largely established for random quantum circuits, whereas analog simulators natively realize time evolutions under geometrically local Hamiltonians. Does a typical such Hamiltonian already yield classically-intractable dynamics? We answer this question in the affirmative for the ensemble of geometrically-2-local Hamiltonians with Gaussian coefficients, evolved for constant time. This naturally leads to a quantum advantage scheme with clear prospects for experimental realization, necessitating only course-grained control. We give strong evidence of hardness for this physically-relevant ensemble. We develop the first worst-to-average-case reduction for approximating output probabilities of (time-independent) geometrically-2-local Hamiltonian evolutions. Our reduction proceeds by nonstandard means: while we also leverage polynomial interpolation, unlike previous works, we reduce directly to an evaluator for the exact distribution over Hamiltonians, from which we are trying to prove that sampling is hard. Previous works instead sampled from various perturbations of the true distribution, introducing additional constraints meant to keep the perturbation, measured in total variation distance, under control. We dispense with this step. Our reduction consists in a robust multivariate polynomial interpolation, reduced to sequential robust univariate interpolations via the symmetries of the Gaussian. We circumvent the fact that random Hamiltonians lack a hiding symmetry, a key property in previous proofs. We also contribute an algorithmic version of Berlekamp-Welch to deal with errored evaluations, solving an open problem from the RCS literature. We expect the machinery we develop to find use in average-case Hamiltonian complexity, filling in a gap in this literature which has thus far focussed on worst-case hardness results.

We introduce a new predator-prey model by replacing the growth and predation constant by a square matrix, and the population density as a population vector. The classical Lotka-Volterra model describes a population that either modulates or converges. Stability analysis of such models have been extensively studied by the works of Merdan (https://doi.org/10.1016/j.chaos.2007.06.062). The new model adds complexity by introducing an age group structure where the population of each age group evolves as prescribed by the Leslie matrix. The added complexity changes the behavior of the model such that the population either displays roughly an exponential growth or decay. We first provide an exact equation that describes a time evolution and use analytic techniques to obtain an approximate growth factor. We also discuss the variants of the Leslie model, i.e., the complex value predator-prey model and the competitive model. We then prove the Last Species Standing theorem that determines the dominant population in the large time limit. The recursive structure of the model denies the application of simple regression. We discuss a machine learning scheme that allows an admissible fit for the population evolution of Paramecium Aurelia and Paramecium Caudatum. Another potential avenue to simplify the computation is to use the machinery of quantum operators. We demonstrate the potential of this approach by computing the Hamiltonian of a simple Leslie system.

The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian Hamiltonian. Quantum computing, particularly for quantum many-body systems, offers a promising alternative, especially within the constraints of current noisy intermediate-scale quantum (NISQ) devices. This work aims to simulate nuclear resonances using quantum algorithms by developing a variational framework compatible with non-Hermitian Hamiltonians and implementing it fully on a quantum simulator. We employ the complex scaling technique to extract resonance positions classically and adapt it for quantum simulations using a two-step algorithm. First, we transform the non-Hermitian Hamiltonian into a Hermitian form by using the energy variance as a cost function within a variational framework. Second, we perform theta-trajectory calculations to determine optimal resonance positions in the complex energy plane. To address resource constraints on NISQ devices, we utilize Gray Code (GC) encoding to reduce qubit requirements. We first validate our approach using a schematic potential model that mimics a nuclear potential, successfully reproducing known resonance energies with high fidelity. We then extend the method to a more realistic alpha-alpha nuclear potential and compute the resonance energies with a basis size of 16, using only four qubits. This study demonstrates, for the first time, that the complete theta-trajectory method can be implemented on a quantum computer without relying on any classical input beyond the Hamiltonian. The results establish a scalable and efficient quantum framework for simulating resonance phenomena in nuclear systems. This work represents a significant step toward quantum simulations of open quantum systems.

Hamiltonian matrix prediction is pivotal in computational chemistry, serving as the foundation for determining a wide range of molecular properties. While SE(3) equivariant graph neural networks have achieved remarkable success in this domain, their substantial computational cost--driven by high-order tensor product (TP) operations--restricts their scalability to large molecular systems with extensive basis sets. To address this challenge, we introduce SPHNet, an efficient and scalable equivariant network, that incorporates adaptive SParsity into Hamiltonian prediction. SPHNet employs two innovative sparse gates to selectively constrain non-critical interaction combinations, significantly reducing tensor product computations while maintaining accuracy. To optimize the sparse representation, we develop a Three-phase Sparsity Scheduler, ensuring stable convergence and achieving high performance at sparsity rates of up to 70%. Extensive evaluations on QH9 and PubchemQH datasets demonstrate that SPHNet achieves state-of-the-art accuracy while providing up to a 7x speedup over existing models. Beyond Hamiltonian prediction, the proposed sparsification techniques also hold significant potential for improving the efficiency and scalability of other SE(3) equivariant networks, further broadening their applicability and impact. Our code can be found at https://github.com/microsoft/SPHNet.

Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which can be challenging for large, strongly-correlated systems. This issue has motivated the study of physically-inspired dynamical approaches such as thermodynamic cooling. In this work, we introduce a ground-state preparation algorithm based on the simulation of quantum dynamics. Our main insight is to transform the Hamiltonian by a shifted sign function via quantum signal processing, effectively mapping eigenvalues into positive and negative subspaces separated by a large gap. This automatically ensures that all states within each subspace conserve energy with respect to the transformed Hamiltonian. Subsequent time-evolution with a perturbed Hamiltonian induces transitions to lower-energy states while preventing unwanted jumps to higher energy states. The approach does not rely on a priori knowledge of energy gaps and requires no additional qubits to model a bath. Furthermore, it makes mathcal{O}(d^{,3/2}/epsilon) queries to the time-evolution operator of the system and mathcal{O}(d^{,3/2}) queries to a block-encoding of the perturbation, for d cooling steps and an epsilon-accurate energy resolution. Our results provide a framework for combining quantum signal processing and Hamiltonian simulation to design heuristic quantum algorithms for ground-state preparation.

We present a rigorous analysis of the algebraic and geometric structure of the quantum complexity resource of a system of bosonic modes in Gaussian boson sampling. This resource underlies the quantum advantage of the system: its photon-counting statistics require the evaluation of a hafnian of the resource covariance matrix, and that computation is #P-hard. The resource covariance matrix is the solution of a semidefinite program that extracts the minimum-trace physical quantum part of the total covariance matrix; the complementary part is positive semidefinite and can therefore be simulated classically. Earlier work characterized this resource only through the trace of the quantum part, equal to its photon number. We characterize the optimizer itself, as a quantum state and as a geometric object, beyond the scalar given by its trace. We prove that it is a unique pure Gaussian state and construct an explicit oracle map, obeying an algebraic Riccati identity, that reconstructs the resource. We prove that the full problem compresses exactly onto the active symplectic sector that the dual program support generates. The passive-diagonalizable states are solved in closed form, the first explicit solvable class, and the whole program is shown to be equivalent to a minimization over the symplectic group, that is, over the Siegel upper half-space. Together these results establish that the program determines a canonical localized pure Gaussian component of the resource, and they provide the structural foundation for its detailed analysis.

The Mechanistic Interpretability (MI) program has mapped the Transformer as a precise computational graph. We extend this graph with a conservation law and time-varying AC dynamics, viewing it as a physical circuit. We introduce Momentum Attention, a symplectic augmentation embedding physical priors via the kinematic difference operator p_t = q_t - q_{t-1}, implementing the symplectic shear q_t = q_t + γp_t on queries and keys. We identify a fundamental Symplectic-Filter Duality: the physical shear is mathematically equivalent to a High-Pass Filter. This duality is our cornerstone contribution -- by injecting kinematic momentum, we sidestep the topological depth constraint (L geq 2) for induction head formation. While standard architectures require two layers for induction from static positions, our extension grants direct access to velocity, enabling Single-Layer Induction and Spectral Forensics via Bode Plots. We formalize an Orthogonality Theorem proving that DC (semantic) and AC (mechanistic) signals segregate into orthogonal frequency bands when Low-Pass RoPE interacts with High-Pass Momentum. Validated through 5,100+ controlled experiments (documented in Supplementary Appendices A--R and 27 Jupyter notebooks), our 125M Momentum model exceeds expectations on induction-heavy tasks while tracking a 350M baseline within sim2.9% validation loss. Dedicated associative recall experiments reveal a scaling law γ^* = 4.17 times N^{-0.74} establishing momentum-depth fungibility. We offer this framework as a complementary analytical toolkit connecting Generative AI, Hamiltonian Physics, and Signal Processing.

The dynamical realisation of the equation of state p +rho =0 is studied. A non-pathological dynamics for the perturbations of such a system mimicking a dynamical cosmological constant (DCC) requires to go beyond the perfect fluid paradigm. It is shown that an anisotropic stress must be always present. The Hamiltonian of the system in isolation resembles the one of a Pais-Uhlenbeck oscillator and linear stability requires that it cannot be positive definite. The dynamics of linear cosmological perturbations in a DCC dominated Universe is studied in detail showing that when DCC is minimally coupled to gravity no dramatic instability is present. In contrast to what happens in a cosmological constant dominated Universe, the non-relativistic matter contrast is no longer constant and exhibits an oscillator behaviour at small scales while it grows weakly at large scales. In the gravitational waves sector, at small scales, the amplitude is still suppressed as the inverse power of the scale factor while it grows logarithmically at large scales. Also the vector modes propagate, though no growing mode is found.

Even though neural networks enjoy widespread use, they still struggle to learn the basic laws of physics. How might we endow them with better inductive biases? In this paper, we draw inspiration from Hamiltonian mechanics to train models that learn and respect exact conservation laws in an unsupervised manner. We evaluate our models on problems where conservation of energy is important, including the two-body problem and pixel observations of a pendulum. Our model trains faster and generalizes better than a regular neural network. An interesting side effect is that our model is perfectly reversible in time.

A fundamental problem in quantum many-body physics is that of finding ground states of local Hamiltonians. A number of recent works gave provably efficient machine learning (ML) algorithms for learning ground states. Specifically, [Huang et al. Science 2022], introduced an approach for learning properties of the ground state of an n-qubit gapped local Hamiltonian H from only n^{O(1)} data points sampled from Hamiltonians in the same phase of matter. This was subsequently improved by [Lewis et al. Nature Communications 2024], to O(log n) samples when the geometry of the n-qubit system is known. In this work, we introduce two approaches that achieve a constant sample complexity, independent of system size n, for learning ground state properties. Our first algorithm consists of a simple modification of the ML model used by Lewis et al. and applies to a property of interest known beforehand. Our second algorithm, which applies even if a description of the property is not known, is a deep neural network model. While empirical results showing the performance of neural networks have been demonstrated, to our knowledge, this is the first rigorous sample complexity bound on a neural network model for predicting ground state properties. We also perform numerical experiments that confirm the improved scaling of our approach compared to earlier results.

There are few known exponential speedups for quantum algorithms and these tend to fall into even fewer families. One speedup that has mostly resisted generalization is the use of quantum walks to traverse the welded-tree graph, due to Childs, Cleve, Deotto, Farhi, Gutmann, and Spielman. We show how to generalize this to a large class of hierarchical graphs in which the vertices are grouped into "supervertices" which are arranged according to a d-dimensional lattice. Supervertices can have different sizes, and edges between supervertices correspond to random connections between their constituent vertices. The hitting times of quantum walks on these graphs are related to the localization properties of zero modes in certain disordered tight binding Hamiltonians. The speedups range from superpolynomial to exponential, depending on the underlying dimension and the random graph model. We also provide concrete realizations of these hierarchical graphs, and introduce a general method for constructing graphs with efficient quantum traversal times using graph sparsification.

From the dynamics of a broad class of classical mean-field glass models one may obtain a quantum model with finite zero-temperature entropy, a quantum transition at zero temperature, and a time-reparametrization (quasi-)invariance in the dynamical equations for correlations. The low eigenvalue spectrum of the resulting quantum model is directly related to the structure and exploration of metastable states in the landscape of the original classical glass model. This mapping reveals deep connections between classical glasses and the properties of SYK-like models.

We study the transverse-field axial next-nearest-neighbor Ising (ANNNI) model on the square lattice and on a bilayer. At the classical multiphase point κ=J_2/J_0=1/2, every configuration of straight domain walls that separates domains of at least two sites is a ground state. The walls are rigid, so perturbation theory in the transverse field g=Γ/J_0 can be carried out for each configuration separately, and we take it to order g^8. Quantum fluctuations select langle 3rangle (uparrowuparrowuparrowdownarrowdownarrowdownarrow) at order g^2, because spins next to a wall gain the most energy from virtual flips. The structures langle 23rangle, langle 223rangle and langle 2223rangle then open between langle 3rangle and the antiphase langle 2rangle at orders g^4, g^6 and g^8, in the order of the Fisher-Selke sequence of the classical three-dimensional model. A second layer suppresses each successive phase more strongly, beyond the stiffening of the local fields. We test the two widest phases with stochastic series expansion quantum Monte Carlo, comparing the free energies of the competing ordered states by thermodynamic integration, since annealing freezes in the modulation that forms at the ordering transition. The simulations reproduce the langle 3rangle wedge to about 1%, and in a pre-registered test langle 23rangle is stable at six of seven points, with the seventh resolved by post-hoc runs.

In this article, we introduce and study singular foliations of b^k-type. These singular foliations formalize the properties of vector fields that are tangent to order k along a submanifold W subset M. Our first result is a classification of these foliations, relating them to geometric structures defined in a formal neighborhood of the submanifold, such as jets of distributions that are involutive up to order k-1. When W is a hypersurface, singular foliations of b^k-type are Lie algebroids. In this particular case, they are generalizations of the b^k-tangent bundles introduced by Scott. Indeed, they are always locally isomorphic to b^k-tangent bundles, but globally such an isomorphism is obstructed by a holonomy invariant. Our second main result is a Riemann-Hilbert-style classification of singular foliations of b^k-type in terms of holonomy representations. In this paper, we study singular foliations of b^k-type from several different perspectives. In particular: (1) We study the problem of extending a k-th-order foliation to a (k+1)-th order foliation and prove that this is obstructed by a characteristic class. (2) When W is a hypersurface, we give a detailed study of algebroid differential forms and extend Scott's calculation of the cohomology. (3) We study algebroid symplectic forms in terms of the geometric structures induced on W. In particular, we find that there is a close relationship between the above obstruction class for extensions and the symplectic variation of the symplectic foliation induced on W.

This work addresses how the growth of invariant operators is influenced by their underlying symmetry structure. For this purpose, we introduce the symmetry-resolved Krylov complexity, which captures the time evolution of each block into which an operator, invariant under a given symmetry, can be decomposed. We find that, at early times, the complexity of the full operator is equal to the average of the symmetry-resolved contributions. At later times, however, the interplay among different charge sectors becomes more intricate. In general, the symmetry-resolved Krylov complexity depends on the charge sector, although in some cases this dependence disappears, leading to a form of Krylov complexity equipartition. Our analysis lays the groundwork for a broader application of symmetry structures in the study of Krylov space complexities with implications for thermalization and universality in many-body quantum systems.

We calculate the motion of binary mass systems in gravity up to the sixth post--Newtonian order to the G_N^3 terms ab initio using momentum expansions within an effective field theory approach based on Feynman amplitudes in harmonic coordinates. For these contributions we construct a canonical transformation to isotropic and to EOB coordinates at 5PN and agree with the results in the literature Bern:2019nnu,Damour:2019lcq. At 6PN we compare to the Hamiltonians in isotropic coordinates either given in Bern:2019nnu or resulting from the scattering angle. We find a canonical transformation from our Hamiltonian in harmonic coordinates to Bern:2019nnu, but not to Damour:2019lcq. This implies that we also agree on all observables with Bern:2019nnu to the sixth post--Newtonian order to G_N^3.

Modern artificial intelligence excels at statistical interpolation within seen manifolds but fundamentally fails at the exact reasoning required for theoretical physics and mathematics. We identify the "Float Wall" -- a catastrophic collapse of neural extrapolation at scales beyond 10^{16} -- caused by standard floating-point representation and linguistic tokenization (BPE). To resolve this, we introduce the Active Discoverer Framework, a digit-native neuro-symbolic architecture designed for invariant discovery. At its core is NumberNet, a Siamese Arithmetic Transformer that utilizes least-significant-bit (LSB) sequence encoding to achieve 0% precision loss and cosmic-scale extrapolation up to 10^{50}. To enforce physical grounding, we implement a Hamiltonian-based energy descent and Symmetry Grouping layer, ensuring the model respects Noether's theorem natively. The primary innovation is the Symbolic LaTeX Bottleneck: an active discovery loop where the model is forced to hypothesize unknown physical variables through an autoregressive LaTeX decoder. By reconciling numeric "hallucinations" with structurally valid mathematical expressions, the framework ensures that any discovered physics is parsimonious and human-interpretable. We evaluate this system against a 30-billion scale benchmark and the Universal Physics Pantheon, featuring 50 "Chaos Mode" systemic perturbations. Our results demonstrate that while traditional GBDT and LLM-based architectures collapse at cosmic scales, the Active Discoverer autonomously deduces universal constants such as the Gravitational Constant (G) with high fidelity. This framework establishes a path toward zero-hallucination artificial intelligence and truly autonomous scientific research agents.

The energy levels of hydrogen-like atoms are obtained from the phase-space quantization, one of the pillars of the old quantum theory, by three different methods - (i) direct integration, (ii) Sommerfeld's original method, and (iii) complex integration. The difficulties come from the imposition of elliptical orbits to the electron, resulting in a variable radial component of the linear momentum. Details of the calculation, which constitute a recurrent gap in textbooks that deal with phase-space quantization, are shown in depth in an accessible fashion for students of introductory quantum mechanics courses.

We study symmetry-resolved Krylov complexity in finite-dimensional chaotic quantum many-body systems. When both the Hamiltonian and the initial operator commute with a conserved charge, the operator dynamics decomposes into independent symmetry sectors, each with its own Krylov chain. We show that, after saturation, the unresolved Krylov complexity is additive over symmetry sectors. In the absence of additional Liouvillian degeneracies, the late-time contribution of a sector with Hilbert-space dimension d_q is controlled by d_q(d_q-1), leading to a dimension-weighted equipartition that approaches the simple large-sector scaling d_q^2/sum_{q'}d_{q'}^2. This late-time rule differs from the early-time weighted-average discussed in the literature and is governed instead by the dimensions of the accessible operator spaces. We support the analytic prediction with numerical studies of the real and complex SYK models, a chaotic bosonic spin model, and the mixed-field Ising chain. Our results show that resolving exact symmetries is essential for interpreting the saturation value of Krylov complexity as a diagnostic of chaotic operator growth.

We construct Feynman rules for Lindblad master equations in the operator language of quantum optics: a fixed algebra of elementary operator moves and closed-form propagators for perturbation theory about an exactly solvable, in most cases Gaussian, generator. The expansion separates into a kinematic part (the shift algebra on the Wick-ordered eigenoperators O_{mn}=:(c^dagger)^m c^n:, from which the vertex table for a specified interaction is assembled) and a dynamical part that enters only through the resolvent of the unperturbed generator, diagonal and additive for any stable, diagonalizable Gaussian L_0, including thermal and squeezed reservoirs and correlated decay, and equally available for a two-level emitter, driven or undriven. In the driven Kerr cavity the loop expansion is the semiclassical expansion and the series is asymptotic. In a strongly driven two-level atom, dressed lines replace a series of finite radius by one accurate deep into saturation, one line per Mollow component. For Kerr rings and chains the cost is polynomial in the number of sites at fixed perturbative order. On a three-site ring the diagrams recover the non-Gaussian part of the three-photon correlation that the Gaussian cumulant closure lacks; carried to tenth order they give the smallest g^{(3)} error of the methods compared for Uleq0.25κ at a cost below that of a fourth-order closure, and third- and fourth-order closures are more accurate at moderate coupling. The same rules, extended to the counting-field-tilted generator, give the photon-counting cumulants of a disordered eight-site chain beyond direct diagonalization; quantum-jump trajectories at three couplings agree with them to within 1.6 standard errors, within one at the strongest coupling, where they place the third cumulant six standard errors above the Gaussian value.

This thesis is divided into three parts. The first part deals with cylindric plane partitions. The second with lambda-determinants and the third with commutators in semi-circular systems. For more detailed abstract please see inside. Cylindric plane partitions may be thought of as a natural generalization of reverse plane partitions. A generating series for the enumeration of cylindric plane partitions was recently given by Borodin. The first result of section one is a new bijective proof of Borodin's identity which makes use of Fomin's growth diagram framework for generalized RSK correspondences. The second result is a (q,t)-analog of Borodin's identity which extends previous work by Okada in the reverse plane partition case. The third result is an explicit combinatorial interpretation of the Macdonald weight occurring in the (q,t)-analog using the non-intersecting lattice path model for cylindric plane partitions. Alternating sign matrices were discovered by Robbins and Rumsey whilst studying λ-determinants. In the second part of this thesis we prove a multi-parameter generalization of the λ-determinant, generalizing a recent result by di Francesco. Like the original λ-determinant, our formula exhibits the Laurent phenomenon. Semicircular systems were first introduced by Voiculescu as a part of his study of von Neumann algebras. In the third part of this thesis we study certain commutator subalgebras of the semicircular system. We find a projection matrix with an interesting self-similar structure. Making use of our projection formula we given an alternative, elementary proof that the semicircular system is a factor.

In this paper, we study 6-dimensional GKM manifolds with 4 fixed points. We classify all possible GKM graphs, and for each type of graph we construct a manifold, proving the existence. We show that six types occur. (P1) complex projective space C P^3 with standard complex structure (P2) blow up of S^6 at a fixed point, diffeomorphic to C P^3 (P3) C P^3 as the homogeneous space Sp(2)/(U(1) times Sp(1)) with non-standard almost complex structure (Q1) complex quadric Q_3 with standard complex structure (Q2) blow up of S^6 along isotropy 2-sphere, diffeomorphic to Q_3 (S) S^2 times S^4, obtained as equivariant gluing along orbits of two S^6's

We study a kinematical consequence of the Hopf-algebraic momentum composition law in κ-Minkowski spacetime. The same curved momentum space can be described in different coordinates. In the bicrossproduct basis the ordered-plane-wave labels are the translation-generator eigenvalues, so the relevant map is one-to-one. In the classical basis, instead, the translation eigenvalues P_μ are nonlinearly related to the ordered-plane-wave labels p_μ. This relation can fail to be globally one-to-one in a high-momentum region. When a given classical-basis four-momentum admits more than one real auxiliary preimage, the branch-sensitive quantity P_+equiv P_0+P_4=κe^{p_0/κ} enters the coproduct and resolves the branches in two-particle states. Imposing the vanishing total-momentum constraint therefore gives branch-dependent κ-deformed back-to-back momentum correlations. In a single-branch regime this is just a deformed correlated product, while in a multibranch regime a state specified only by P_μ can be expanded into distinct auxiliary branches. If P_μ are taken as the directly meaningful momenta, the physical content is the resulting deformed correlation pattern. If the auxiliary variables p_μ are assigned operational meaning, the same constrained state can be interpreted as a superposition over different auxiliary branches. We also compare this structure with standard regular self-adjoint nonrelativistic minimal-length models and find no analogous smooth local two-real-branch inversion on their physical domains.

This monograph attempts a theory of every 'thing' that can be distinguished from other things in a statistical sense. The ensuing statistical independencies, mediated by Markov blankets, speak to a recursive composition of ensembles (of things) at increasingly higher spatiotemporal scales. This decomposition provides a description of small things; e.g., quantum mechanics - via the Schrodinger equation, ensembles of small things - via statistical mechanics and related fluctuation theorems, through to big things - via classical mechanics. These descriptions are complemented with a Bayesian mechanics for autonomous or active things. Although this work provides a formulation of every thing, its main contribution is to examine the implications of Markov blankets for self-organisation to nonequilibrium steady-state. In brief, we recover an information geometry and accompanying free energy principle that allows one to interpret the internal states of something as representing or making inferences about its external states. The ensuing Bayesian mechanics is compatible with quantum, statistical and classical mechanics and may offer a formal description of lifelike particles.

We introduce an experimentally accessible network representation for many-body quantum states based on entanglement between all pairs of its constituents. We illustrate the power of this representation by applying it to a paradigmatic spin chain model, the XX model, and showing that it brings to light new phenomena. The analysis of these entanglement networks reveals that the gradual establishment of quasi-long range order is accompanied by a symmetry regarding single-spin concurrence distributions, as well as by instabilities in the network topology. Moreover, we identify the existence of emergent entanglement structures, spatially localised communities enforced by the global symmetry of the system that can be revealed by model-agnostic community detection algorithms. The network representation further unveils the existence of structural classes and a cyclic self-similarity in the state, which we conjecture to be intimately linked to the community structure. Our results demonstrate that the use of tools and concepts from complex network theory enables the discovery, understanding, and description of new physical phenomena even in models studied for decades.

We study the inverse adjoint problem for a perturbative bosonic outgoing map. Within the polynomial bosonic canonical-commutation-relation (CCR) algebra, we prove a constructive integrability theorem: order-by-order preservation of the CCRs is sufficient to reconstruct recursively a formal self-adjoint generator whose exponential implements the outgoing map by adjoint conjugation. At each order, the Baker--Campbell--Hausdorff contribution determined by previously reconstructed generators is subtracted from the outgoing coefficient, and the remaining homogeneous CCR conditions determine the next generator explicitly. We apply the construction to graviton scattering in the null-surface formulation (NSF), specialized to the flat solution-space sector with Minkowski metric, null generators, affine parameter, and cone measure. The NSF outgoing map preserves the Ashtekar radiative CCRs through (δa_3), corresponding to order (\varepsilon^2). At this order, the scalar CCR sector uniquely selects the symmetric ordering (c=1) for the nontrivial interacting kernel. The associated linear contraction, generated by the same cubic kernel, cancels the double-contraction contribution from ([δa_2,δa_2^\dagger]). The theorem then reconstructs the self-adjoint generators (δT_1) and (δT_2), providing a formal perturbative unitary implementation. The resulting canonical organization also separates the direct (2\to2) contribution into irreducible-loop, one-particle-reducible, and factorized sectors.

At the core of modern generative modeling frameworks, including diffusion models, score-based models, and flow matching, is the task of transforming a simple prior distribution into a complex target distribution through stochastic paths in probability space. Schrödinger bridges provide a unifying principle underlying these approaches, framing the problem as determining an optimal stochastic bridge between marginal distribution constraints with minimal-entropy deviations from a pre-defined reference process. This guide develops the mathematical foundations of the Schrödinger bridge problem, drawing on optimal transport, stochastic control, and path-space optimization, and focuses on its dynamic formulation with direct connections to modern generative modeling. We build a comprehensive toolkit for constructing Schrödinger bridges from first principles, and show how these constructions give rise to generalized and task-specific computational methods.

Quantum computation is inherently hybrid, and fast classical manipulation of qubit operators is necessary to ensure scalability in quantum software. We introduce PauliEngine, a high-performance C++ framework that provides efficient primitives for Pauli string multiplication, commutators, symbolic phase tracking, and structural transformations. Built on a binary symplectic representation and optimized bit-wise operations, PauliEngine supports both numerical and symbolic coefficients and is accessible through a Python interface. Runtime benchmarks demonstrate substantial speedups over state-of-the-art implementations. PauliEngine provides a scalable backend for operator-based quantum software tools and simulations.

Recent years have seen a surprising connection between the physics of scattering amplitudes and a class of mathematical objects--the positive Grassmannian, positive loop Grassmannians, tree and loop Amplituhedra--which have been loosely referred to as "positive geometries". The connection between the geometry and physics is provided by a unique differential form canonically determined by the property of having logarithmic singularities (only) on all the boundaries of the space, with residues on each boundary given by the canonical form on that boundary. In this paper we initiate an exploration of "positive geometries" and "canonical forms" as objects of study in their own right in a more general mathematical setting. We give a precise definition of positive geometries and canonical forms, introduce general methods for finding forms for more complicated positive geometries from simpler ones, and present numerous examples of positive geometries in projective spaces, Grassmannians, and toric, cluster and flag varieties. We also illustrate a number of strategies for computing canonical forms which yield interesting representations for the forms associated with wide classes of positive geometries, ranging from the simplest Amplituhedra to new expressions for the volume of arbitrary convex polytopes.

We present developments and applications for the diagonalization of shell-model hamiltonians in a discrete non-orthogonal basis (DNO-SM). The method, and its actual numerical implementation CARINA, based on mean-field and beyond-mean field techniques has already been applied in previous studies and is focused on basis states selection optimization. The method is benchmarked against a full set of sd shell exact diagonalizations, and is applied for the first time to the heavy deformed ^{254}No nucleus.

Variational algorithms require architectures that naturally constrain the optimisation space to run efficiently. In geometric quantum machine learning, one achieves this by encoding group structure into parameterised quantum circuits to include the symmetries of a problem as an inductive bias. However, constructing such circuits is challenging as a concrete guiding principle has yet to emerge. In this paper, we propose the use of spin networks, a form of directed tensor network invariant under a group transformation, to devise SU(2) equivariant quantum circuit ans\"atze -- circuits possessing spin rotation symmetry. By changing to the basis that block diagonalises SU(2) group action, these networks provide a natural building block for constructing parameterised equivariant quantum circuits. We prove that our construction is mathematically equivalent to other known constructions, such as those based on twirling and generalised permutations, but more direct to implement on quantum hardware. The efficacy of our constructed circuits is tested by solving the ground state problem of SU(2) symmetric Heisenberg models on the one-dimensional triangular lattice and on the Kagome lattice. Our results highlight that our equivariant circuits boost the performance of quantum variational algorithms, indicating broader applicability to other real-world problems.

In quantum mechanics of genus-1 potentials, perturbation theory around the topologically trivial saddle and non-perturbative instanton saddle are constructively related via the P/NP relation. Whether such a relation persists for higher-genus potentials has remained an open problem. In this work, we resolve it using tools from complex algebraic geometry combined with exact WKB. The classical energy conservation relation p^2 = 2(E-V(q)) defines a genus-g Riemann surface X, whose periods are naturally organized by its Jacobian variety J(X) = C^{g}/Λ via the Abel-Jacobi map, and independently by the solution basis of the associated Picard-Fuchs equations. We show that the physically relevant, WKB-active cycles are generally related to the Picard-Fuchs basis by a linear transformation that lies in SL(2g,Z) but not in the symplectic group Sp(2g,Z) once ggeq2, in contrast to the genus-1 case, where the two groups coincide. This mismatch is the obstruction that has made an explicit higher-genus P/NP relation elusive. We show that it can be resolved by passing to a modified Riemann bilinear identity, built from a suitably transformed intersection matrix, which the WKB-active periods do satisfy exactly. The result is an all-orders quantum P/NP relation valid for potentials of arbitrary genus, which we derive explicitly for genus-2 (quintic and sextic) and genus-3 (septic and octic) anharmonic oscillators.

This paper concerns the planar Liénard system \(\dot x=y-F(x),\ \dot y=-x\), where \(F(x)\) is a continuous piecewise linear function with exactly \(n\) fold points. Tonnelier [SIAM J. Appl. Math. 63 (2002)] conjectured that the maximum number of limit cycles of the system is \(n\) when \(F\) has exactly \(n\) fold points. The conjecture was confirmed for \(n=1\) and \(n=2\) in [J. Nonlinear Sci. 25 (2015)] and [J. Lond. Math. Soc. 113 (2026)], respectively, whereas the case \(n\ge3\) remained open. In this paper, we show that the maximal number of limit cycles is at least \(|3n-4|\) for \(n\in\mathbb N^+\), thereby disproving Tonnelier's conjecture for \(n\ge3\). The proof reveals a unified multiscale perturbation mechanism underlying the creation and coexistence of multiple limit cycles. Moreover, we prove that the number of limit cycles admits the finite upper bound \(2^{28(n+1)^2}\).

We identify the free half shuffle algebra of Schützenberger (1958) with an algebra of real-valued functionals on paths, where the half shuffle emulates integration of a functional against another. We then provide two, to our knowledge, new identities in arity 3 involving its commutator (area), and show that these are sufficient to recover the Zinbiel and Tortkara identities of Dzhumadil'daev (2007). We use these identities to prove that any element of the free half shuffle algebra can be expressed as a polynomial over iterated areas. Moreover, we consider minimal sets of iterated integrals defined through the recursive application of the half shuffle on Hall trees. Leveraging the duality between this set of Hall integrals and classical Hall bases of the free Lie algebra, we prove using combinatorial arguments that any element of the free half shuffle algebra can be written uniquely as a polynomial over Hall integrals. We interpret this result as a structure theorem for streamed information, loosely analogous to the unique prime factorisation of integers, allowing to split any real valued function on streamed data into two parts: a first that extracts and packages the streamed information into recursively defined atomic objects (Hall integrals), and a second that evaluates a polynomial function in these objects without further reference to the original stream. The question of whether a similar result holds if Hall integrals are replaced by Hall areas is left as an open conjecture. Finally, we construct a canonical, but to our knowledge, new decomposition of the free half shuffle algebra as shuffle power series in the greatest letter of the original alphabet with coefficients in a sub-algebra freely generated by a new alphabet with an infinite number of letters. We use this construction to provide a second proof of our structure theorem.

The two-body problem of variational electrodynamics possesses differential-delay equations of motion with state-dependent delays of neutral type and solutions that can have velocity discontinuities on countable sets. From a periodic orbit possessing some mild properties at breaking points, we define a synchronization function in R x R3, which is further used to construct two bounded oscillatory functions vanishing at breaking points and whose first derivatives are continuous and defined everywhere but at breaking points. The oscillatory functions are associated with a PDE identity in H2(R3), and we postulate ordering conditions for the PDE identity to define a Fredholm-Schroedinger operator with an O(1/r2) spin-orbit forcing term belonging to L2(R3). As an application, we introduce the Chemical Principle criterion to select orbits with asymptotically vanishing far-fields and estimate the Bohr radius parameter of the Fredholm-Schroedinger PDE using the boundary-layer of orbits chosen according to the Chemical Principle criterion. Last, working backward, we derive a Chemical Principle-like condition from the ordering conditions.

Controllability -- the possibility of performing any target dynamics by applying a set of available operations -- is a fundamental requirement for the practical use of any physical system. For finite-dimensional systems, as for instance spin systems, precise criterions to establish controllability, such as the so called rank criterion, are well known. However most physical systems require a description in terms of an infinite-dimensional Hilbert space whose controllability properties are poorly understood. Here, we investigate infinite-dimensional bosonic quantum systems -- encompassing quantum light, ensembles of bosonic atoms, motional degrees of freedom of ions, and nano-mechanical oscillators -- governed by quadratic Hamiltonians (such that their evolution is analogous to coupled harmonic oscillators). After having highlighted the intimate connection between controllability and recurrence in the Hilbert space, we prove that, for coupled oscillators, a simple extra condition has to be fulfilled to extend the rank criterion to infinite dimensional quadratic systems. Further, we present a useful application of our finding, by proving indirect controllability of a chain of harmonic oscillators.

In this long paper we give a fairly complete analysis of outer billiards on the Penrose kite. Our analysis reveals that this 2-dimensional non-compact system has a 3-dimensional compactification, a certain polyhedron exchange map, and that this compactification has a renormalization scheme. These two features allow us to make some sharp statements concerning the distribution, large-scale geometry, fine-scale geometry, and hidden algebraic symmetries of the orbits. For instance, one of our results is that the union of the unbounded orbits has Hausdorff dimension 1. We give a computer-aided proof of the results concerning the compactification and the renormalization. This proof involves finitely many calculations done with exact integer arithmetic.

We study Hamiltonian elliptic systems with prescribed bilinear mass int_{R^N}uv=a>0. We establish a Gagliardo--Nirenberg inequality in the crossed gradient pairing and bilinear mass, on scaling-invariant component-bounded classes. It identifies the critical curve 1/p+1/q=N/(N+2) and the restricted energy trichotomy. For power nonlinearities, we establish uniqueness up to common translations and nondegeneracy of positive profiles throughout the Sobolev-subcritical hyperbola. Exact scaling then classifies positive normalised solutions and identifies the unique critical mass. In dimension two, we develop a bilinear exponential Gagliardo--Nirenberg estimate with a sharp gradient threshold and a truncated scalar refinement with the optimal quartic leading coefficient. Adapting variational ideas from [Cassani-Tarsi, Calc.Var.PDE (2015)] we combine a mass-normalising quotient, reduction over the full negative fibres and compactness below the concentration threshold to obtain least-energy positive radial solutions for pure exponential nonlinearities at every prescribed mass below the cubic limiting mass. Local perturbative branches and a small-frequency exponential branch yield explicit mass-response formulas.

In this paper we use a traveling wave reduction or a so-called spatial approximation to comprehensively investigate the periodic solutions of the complex cubic-quintic Ginzburg-Landau equation. The primary tools used here are Hopf bifurcation theory and perturbation theory. Explicit results are obtained for the post-bifurcation periodic orbits and their stability. Generalized and degenerate Hopf bifurcations are also briefly considered to track the emergence of global structure such as homoclinic orbits.

The AKSZ formalism is a construction of topological field theories where the target spaces are differential graded symplectic manifolds. In this paper, we describe an analogue of the AKSZ formalism where the target spaces are differential graded contact manifolds. We show that the space of fields inherits a weak contact structure, and we construct a solution to the analogue of the classical master equation, defined via the Jacobi bracket. In the n=1 case, we recover the Jacobi sigma model, and in the n=2 case, we obtain three-dimensional topological field theories associated to Courant-Jacobi algebroids.

Large-amplitude molecular motions which occur during isomerization can cause significant changes in electronic structure. These variations in electronic properties can be used to identify vibrationally-excited eigenstates which are localized along the potential energy surface. This work demonstrates that nuclear quadrupole hyperfine interactions can be used as a diagnostic marker of progress along the isomerization path in both the HC14N/H14NC and DC15N/D15NC chemical systems. Ab initio calculations at the CCSD(T)/cc-pCVQZ level indicate that the hyperfine interaction is extremely sensitive to the chemical bonding of the quadrupolar 14N nucleus and can therefore be used to determine in which potential well the vibrational wavefunction is localized. A natural bonding orbital analysis along the isomerization path further demonstrates that hyperfine interactions arise from the asphericity of the electron density at the quadrupolar nucleus. Using the CCSD(T) potential surface, the quadrupole coupling constants of highly-excited vibrational states are computed from a one-dimensional internal coordinate path Hamiltonian. The excellent agreement between ab initio calculations and recent measurements demonstrates that nuclear quadrupole hyperfine structure can be used as a diagnostic tool for characterizing localized HCN and HNC vibrational states.

The ground state search problem is central to quantum computing, with applications spanning quantum chemistry, condensed matter physics, and optimization. The Variational Quantum Eigensolver (VQE) has shown promise for small systems but faces significant limitations. These include barren plateaus, restricted ansatz expressivity, and reliance on domain-specific structure. We present SpinGQE, an extension of the Generative Quantum Eigensolver (GQE) framework to spin Hamiltonians. Our approach reframes circuit design as a generative modeling task. We employ a transformer-based decoder to learn distributions over quantum circuits that produce low-energy states. Training is guided by a weighted mean-squared error loss between model logits and circuit energies evaluated at each gate subsequence. We validate our method on the four-qubit Heisenberg model, demonstrating successfulconvergencetonear-groundstates. Throughsystematichyperparameterexploration, we identify optimal configurations: smaller model architectures (12 layers, 8 attention heads), longer sequence lengths (12 gates), and carefully chosen operator pools yield the most reliable convergence. Our results show that generative approaches can effectively navigate complex energy landscapes without relying on problem-specific symmetries or structure. This provides a scalable alternative to traditional variational methods for general quantum systems. An open-source implementation is available at https://github.com/Mindbeam-AI/SpinGQE.

We study a class of orbit recovery problems in which we observe independent copies of an unknown element of R^p, each linearly acted upon by a random element of some group (such as Z/p or SO(3)) and then corrupted by additive Gaussian noise. We prove matching upper and lower bounds on the number of samples required to approximately recover the group orbit of this unknown element with high probability. These bounds, based on quantitative techniques in invariant theory, give a precise correspondence between the statistical difficulty of the estimation problem and algebraic properties of the group. Furthermore, we give computer-assisted procedures to certify these properties that are computationally efficient in many cases of interest. The model is motivated by geometric problems in signal processing, computer vision, and structural biology, and applies to the reconstruction problem in cryo-electron microscopy (cryo-EM), a problem of significant practical interest. Our results allow us to verify (for a given problem size) that if cryo-EM images are corrupted by noise with variance σ^2, the number of images required to recover the molecule structure scales as σ^6. We match this bound with a novel (albeit computationally expensive) algorithm for ab initio reconstruction in cryo-EM, based on invariant features of degree at most 3. We further discuss how to recover multiple molecular structures from mixed (or heterogeneous) cryo-EM samples.

Many hybrid quantum-classical algorithms for the application of ground state energy estimation in quantum chemistry involve estimating the expectation value of a molecular Hamiltonian with respect to a quantum state through measurements on a quantum device. To guide the selection of measurement methods designed for this observable estimation problem, we propose a benchmark called CSHOREBench (Common States and Hamiltonians for ObseRvable Estimation Benchmark) that assesses the performance of these methods against a set of common molecular Hamiltonians and common states encountered during the runtime of hybrid quantum-classical algorithms. In CSHOREBench, we account for resource utilization of a quantum computer through measurements of a prepared state, and a classical computer through computational runtime spent in proposing measurements and classical post-processing of acquired measurement outcomes. We apply CSHOREBench considering a variety of measurement methods on Hamiltonians of size up to 16 qubits. Our discussion is aided by using the framework of decision diagrams which provides an efficient data structure for various randomized methods and illustrate how to derandomize distributions on decision diagrams. In numerical simulations, we find that the methods of decision diagrams and derandomization are the most preferable. In experiments on IBM quantum devices against small molecules, we observe that decision diagrams reduces the number of measurements made by classical shadows by more than 80%, that made by locally biased classical shadows by around 57%, and consistently require fewer quantum measurements along with lower classical computational runtime than derandomization. Furthermore, CSHOREBench is empirically efficient to run when considering states of random quantum ansatz with fixed depth.

The second part of Hilbert's 16th problem is one of the most fundamental open problems in the qualitative theory of ordinary differential equations and dynamical systems. A central unresolved question is whether the Hilbert number H(d) is finite for arbitrary polynomial degree d. (A very recent manuscript from OpenAI asserts the finiteness of H(d); see the remark at the end of this paper.) In the absence of a general upper bound theory, most existing work constructs explicit perturbed polynomial systems to obtain improved lower bounds for H(d), while rigorous upper bound estimates remain largely unavailable. This paper focuses on improving the quantitative lower bound for polynomial systems through a systematic Hierarchical Melnikov Realization framework. We construct perturbed dynamics based on an anisotropic Chebyshev Hamiltonian, where hierarchically selected perturbation coefficients generate simple zeros of the first-order Melnikov function simultaneously across multiple disjoint period annuli. Two distinct 3-adic filtrations supply the necessary logarithmic correction factors, and a Borel--Gauss analysis establishes the required local rank condition under sufficiently strong anisotropy. As the main result of this work, we prove that H(d)=Ωbigl(d^2ln^2 dbigr), which improves the previously known lower bound by a factor of ln d. The full construction of limit cycles and the resulting dynamical bounds are formally certified using Lean 4 formal verification.

The principle of detailed balance states that in equilibrium each elementary process is equilibrated by its reverse process. For many real physico-chemical complex systems (e.g. homogeneous combustion, heterogeneous catalytic oxidation, most enzyme reactions etc), detailed mechanisms include both reversible and irreversible reactions. In this case, the principle of detailed balance cannot be applied directly. We represent irreversible reactions as limits of reversible steps and obtain the principle of detailed balance for complex mechanisms with some irreversible elementary processes. We proved two consequences of the detailed balance for these mechanisms: the structural condition and the algebraic condition that form together the extended form of detailed balance. The algebraic condition is the principle of detailed balance for the reversible part. The structural condition is: the convex hull of the stoichiometric vectors of the irreversible reactions has empty intersection with the linear span of the stoichiometric vectors of the reversible reaction. Physically, this means that the irreversible reactions cannot be included in oriented pathways. The systems with the extended form of detailed balance are also the limits of the reversible systems with detailed balance when some of the equilibrium concentrations (or activities) tend to zero. Surprisingly, the structure of the limit reaction mechanism crucially depends on the relative speeds of this tendency to zero.

In this paper, training a neural network is identified, exactly, as a search through Hamilton--Jacobi initial-value problems: each gradient step selects the initial data of a viscous Hamilton--Jacobi equation whose Hopf--Cole propagator best fits the observations; at inference, the input is the spatial point at which that solution is evaluated and the initial condition is already encoded in the weights. The correspondence is exact for log-sum-exp layers and structural for broader architectures: residual networks, transformers, and recurrent architectures (RNNs, LSTMs, SSMs) each discretize the same class of Hamilton--Jacobi equations, with architecture-dependent Hamiltonian and viscosity. A single deformation parameter varepsilon unifies all four perspectives (network, tropical algebra, viscous PDE, convex optimization) in a commutative diagram closed under Lipschitz conditions. Quantitative consequences include: the minimax optimal generalization rate O(n^{-1/(d+2)}) for fixed t; adversarial robustness controlled by varepsilon; backpropagation as the co-state equation of the Hamiltonian system for residual networks (Pontryagin Maximum Principle); scaling exponents consistent with data intrinsic dimension via PDE quadrature; and a closed-form O(N) influence function (softmax attribution weights π_j) whose entropy landscape undergoes fold bifurcations as varepsilon increases, each merging attribution basins.

Time in relativity theory has a status different from that adopted by standard quantum mechanics, where time is considered as a parameter measured with reference to an external absolute Newtonian frame. This status strongly restricts its role in the dynamics of systems and hinders any formulation to merge quantum mechanics with general relativity, specifically when considering quantum gravity. To overcome those limitations, several authors tried to construct an operator which is conjugate to the Hamiltonian of quantum systems implementing some essential features of the relativistic time. These formulations use the concept of internal or intrinsic time instead of the universal coordinate time used in textbooks. Furthermore, recently it is remarked that the consideration of time with relativistic features could enhance the analysis techniques in quantum information processing and have an impact on its status in causal orders and causal structures of quantum information. The role of clocks, their accuracy and stability has become an important issue in quantum information processing. This article present a substantiative review of recent works which reflect the possibility of utilizing quantum time, measured by quantum clock devised according to Page-Wootters scheme, to stand as a resource for quantum information processing.

This work provides a nonasymptotic error analysis of quantum Krylov algorithms based on real-time evolutions, subject to generic errors in the outputs of the quantum circuits. We prove upper and lower bounds on the resulting ground state energy estimates, and the error associated to the upper bound is linear in the input error rates. This resolves a misalignment between known numerics, which exhibit approximately linear error scaling, and prior theoretical analysis, which only provably obtained scaling with the error rate to the power 2{3}. Our main technique is to express generic errors in terms of an effective target Hamiltonian studied in an effective Krylov space. These results provide a theoretical framework for understanding the main features of quantum Krylov errors.

In this work, we extend the Equilibrium Propagation framework to skew-gradient systems and show an equivalence between deep Energy-Based Models and Hamiltonian neural networks. We focus on networks of diffusively coupled Fitzhugh-Nagumo neurons as a prototypical example. We show that since stationary solutions of the Fitzhugh-Nagumo model are described by self-adjoint operators, the methods of equilibrium propagation for performing credit assignment can be applied. Furthermore, for Fitzhugh-Nagumo networks with the topology of a deep residual network, we show that the steady state solutions admit a (spatial) Hamiltonian, and thus the methods of Hamiltonian Echo Backpropagation can be applied. We end by deriving an explicit layer-wise Hamiltonian recurrence relation governing inference for stationary solutions of both deep Fitzhugh-Nagumo networks and deep Energy-Based Models.

The Hopf fibration is an important object in mathematics and physics. A landmark discovery in topology and a fundamental object in the theory of Lie groups, the Hopf fibration has a wide variety of physical applications including magnetic monopoles, rigid body mechanics, and quantum information theory. This expository article presents an introduction to the Hopf fibration that is accessible to undergraduate students. We use the algebra of quaternions to illustrate algebraic and geometric properties of the Hopf fibration and the connection with rotations of 3-space that is the basis for natural applications to physics and engineering.

We consider the flavor transformation of neutrinos through oscillatory matter profiles. We show that the neutrino oscillation Hamiltonian in this case describes a Rabi system with an infinite number of Rabi modes. We further show that, in a given physics problem, the majority of the Rabi modes have too small amplitudes to be relevant. We also go beyond the rotating wave approximation and derive the relative detuning of the Rabi resonance when multiple Rabi modes with small amplitudes are present. We provide an explicit criterion of whether an off-resonance Rabi mode can affect the parametric flavor transformation of the neutrino.

We consider the relationship between Eulerian modal decompositions and Lagrangian coherent structures (LCSs). The model sensitivity framework developed by Kaszás and Haller (2020) is used to express data-driven modal representations of fluid flow in a Lagrangian space. The method, based on the computation of the finite-time Lyapunov exponent, computes the amplitude perturbations experienced by fluid particles due to specific modal components of the flow. Demonstrations of the method are presented for both periodic and turbulent flows, including experimental data from the wake past an oscillating foil, numerical data of the classical cylinder wake flow, and a direct numerical simulation (DNS) of a turbulent channel flow. This method provides a way to understand how Eulerian mode structures interact dynamically with features of the Lagrangian coherent structure across scales, offering additional physical insight into modal decompositions.

I propose a version of quantum mechanics featuring a discrete and finite number of states that is plausibly a model of the real world. The model is based on standard unitary quantum theory of a closed system with a finite-dimensional Hilbert space. Given certain simple conditions on the spectrum of the Hamiltonian, Schr\"odinger evolution is periodic, and it is straightforward to replace continuous time with a discrete version, with the result that the system only visits a discrete and finite set of state vectors. The biggest challenges to the viability of such a model come from cosmological considerations. The theory may have implications for questions of mathematical realism and finitism.

Previous theoretical and experimental research has shown that current NISQ devices constitute powerful platforms for analogue quantum simulation. With the exquisite level of control offered by state-of-the-art quantum computers, we show that one can go further and implement a wide class of Floquet Hamiltonians, or timedependent Hamiltonians in general. We then implement a single-qubit version of these models in the IBM Quantum Experience and experimentally realize a temporal version of the Bernevig-Hughes-Zhang Chern insulator. From our data we can infer the presence of a topological transition, thus realizing an earlier proposal of topological frequency conversion by Martin, Refael, and Halperin. Our study highlights promises and limitations when studying many-body systems through multi-frequency driving of quantum computers.

We present a stability analysis of the standard nonautonomous systems type for a recently introduced generalized Lane-Emden equation which is shown to explain the presence of some of the structures observed in the atomic spatial distributions of magnetically-trapped ultracold atomic clouds. A Lyapunov function is defined which helps us to prove that stable spatial structures in the atomic clouds exist only for the adiabatic index γ=1+1/n with even n. In the case when n is odd we provide an instability result indicating the divergence of the density function for the atoms. Several numerical solutions, which according to our stability analysis are stable, are also presented.

We revisit the theoretical properties of Hamiltonian stochastic differential equations (SDES) for Bayesian posterior sampling, and we study the two types of errors that arise from numerical SDE simulation: the discretization error and the error due to noisy gradient estimates in the context of data subsampling. Our main result is a novel analysis for the effect of mini-batches through the lens of differential operator splitting, revising previous literature results. The stochastic component of a Hamiltonian SDE is decoupled from the gradient noise, for which we make no normality assumptions. This leads to the identification of a convergence bottleneck: when considering mini-batches, the best achievable error rate is O(eta^2), with eta being the integrator step size. Our theoretical results are supported by an empirical study on a variety of regression and classification tasks for Bayesian neural networks.

We investigate the effects of spatially localized conserved quantities on transport and thermalization in quantum and classical many-body systems. We consider several related models: the integrable quantum Volterra model, its nonintegrable classical limit, and two cellular automata derived from the latter. Although localized constraints are often associated with lattice gauge theories, our models do not admit such an interpretation. In systems with discrete degrees of freedom, these constraints induce uniform fragmentation of the Hilbert or configuration space. In the quantum Volterra model, we derive an exact mapping of the dynamics within each Hilbert-space fragment onto a quantum chiral Potts chain. We find that energy transport is ballistic, with identical transport coefficients across all fragments. In the nonintegrable classical limit, energy transport is diffusive, and we similarly find the diffusion constant to be independent of whether or not the constraints are fixed (resolved). Finally, in the cellular automata, we show that, despite leaving transport unaffected, localized constraints lead to a strong breakdown of local ergodicity.

In this paper we study the out-of-equilibrium phase diagram of the quantum version of Derrida's Random Energy Model, which is the simplest model of mean-field spin glasses. We interpret its corresponding quantum dynamics in Fock space as a one-particle problem in very high dimension to which we apply different theoretical methods tailored for high-dimensional lattices: the Forward-Scattering Approximation, a mapping to the Rosenzweig-Porter model, and the cavity method. Our results indicate the existence of two transition lines and three distinct dynamical phases: a completely many-body localized phase at low energy, a fully ergodic phase at high energy, and a multifractal "bad metal" phase at intermediate energy. In the latter, eigenfunctions occupy a diverging volume, yet an exponentially vanishing fraction of the total Hilbert space. We discuss the limitations of our approximations and the relationship with previous studies.

Motivated by applications in Diophantine approximation, we develop a new fibering mechanism for non-degenerate manifolds in R^n, showing that they admit local decompositions into families of non-degenerate curves with uniform quantitative non-degeneracy properties. The manifolds are required to be C^N with the essentially optimal bound Ngeq maxlbrace n,l+1rbrace, where the manifold is l non-degenerate. Furthermore, we show that this uniform quantitative local control can be globalised into a qualitative statement, so that almost every point of a non-degenerate manifold lies on a non-degenerate curve contained in the manifold. Our approach is perturbative and shows that the fibering structure arising in the analytic setting is stable under sufficiently small C^N perturbations. The method provides a framework for extending fibering based results in Diophantine approximation from curves to manifolds. Such applications are considered in the paper.

Preparing the ground state of a given Hamiltonian and estimating its ground energy are important but computationally hard tasks. However, given some additional information, these problems can be solved efficiently on a quantum computer. We assume that an initial state with non-trivial overlap with the ground state can be efficiently prepared, and the spectral gap between the ground energy and the first excited energy is bounded from below. With these assumptions we design an algorithm that prepares the ground state when an upper bound of the ground energy is known, whose runtime has a logarithmic dependence on the inverse error. When such an upper bound is not known, we propose a hybrid quantum-classical algorithm to estimate the ground energy, where the dependence of the number of queries to the initial state on the desired precision is exponentially improved compared to the current state-of-the-art algorithm proposed in [Ge et al. 2019]. These two algorithms can then be combined to prepare a ground state without knowing an upper bound of the ground energy. We also prove that our algorithms reach the complexity lower bounds by applying it to the unstructured search problem and the quantum approximate counting problem.

We derive a quantum master equation in Lindblad form for the open quantum Rabi model in the perturbative deep strong coupling regime, where the spectrum is close to degenerate and harmonic. The Lindblad form is obtained by combining secular and singular-coupling approximations, working in a Schrieffer-Wolff transformed frame. We benchmark our equation against a Bloch-Redfield one, analyzing the time-evolution and steady state properties of several observables and find excellent agreement. Analytical results are obtained in limiting cases.

Strategies for the generation of periodic discrete structures with identical two-point correlation are developed. Starting from a pair of root structures, which are not related by translation, phase inversion or axis reflections, child structures of arbitrary resolution (i.e., pixel or voxel numbers) and number of phases (i.e., material phases/species) can be generated by means of trivial embedding based phase extension, application of kernels and/or phase coalescence, such that the generated structures inherit the two-point-correlation equivalence. Proofs of the inheritance property are provided by means of the Discrete Fourier Transform theory. A Python 3 implementation of the results is offered by the authors through the Github repository https://github.com/DataAnalyticsEngineering/EQ2PC in order to make the provided results reproducible and useful for all interested readers. Examples for the generation of structures are demonstrated, together with applications in the homogenization theory of periodic media.

A well-established organisational principle for Argyres--Douglas-type N=2 superconformal field theories in four dimensions is to characterise such theories by the data defining a(n irregular) Hitchin system on CP^1. The dictionary between Hitchin system data and various features of the corresponding SCFT has been studied extensively, but the overall structure of the resulting space of SCFTs still appears quite complicated. In this work, we systematically delineate a variety of simplifications that arise within this class of constructions due to several large classes of isomorphisms between SCFTs associated with inequivalent Hitchin system data (and their exactly marginal gaugings). We restrict to the most studied class of theories, namely the type A theories without outer automorphism twists.

We give a conceptual treatment of the notion of joints, marginals, and independence in the setting of categorical probability. This is achieved by endowing the usual probability monads (like the Giry monad) with a monoidal and an opmonoidal structure, mutually compatible (i.e. a bimonoidal structure). If the underlying monoidal category is cartesian monoidal, a bimonoidal structure is given uniquely by a commutative strength. However, if the underlying monoidal category is not cartesian monoidal, a strength is not enough to guarantee all the desired properties of joints and marginals. A bimonoidal structure is then the correct requirement for the more general case. We explain the theory and the operational interpretation, with the help of the graphical calculus for monoidal categories. We give a definition of stochastic independence based on the bimonoidal structure, compatible with the intuition and with other approaches in the literature for cartesian monoidal categories. We then show as an example that the Kantorovich monad on the category of complete metric spaces is a bimonoidal monad for a non-cartesian monoidal structure.

In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical quantity at time T, where the system is governed by a time-dependent Schr\"odinger equation. This type of control problem also has an intricate relation with machine learning. Our algorithms are based on a time-dependent Hamiltonian simulation method and a fast gradient-estimation algorithm. We also provide a comprehensive error analysis to quantify the total error from various steps, such as the finite-dimensional representation of the control function, the discretization of the Schr\"odinger equation, the numerical quadrature, and optimization. Our quantum algorithms require fault-tolerant quantum computers.

We investigate the effects of quantum geometry on the motion of magnon wave packets in one-dimensional quantum spin chains. In contrast to fermionic systems, where transport phenomena driven by the quantum metric have been extensively studied, we show that the dynamics in bosonic magnon systems are strongly affected by the symplectic structure and the pseudo-unitarity of the transformation of the magnon Bogoliubov-de Gennes Hamiltonian. A chiral soliton lattice provides a setting in which the symplectic quantum metric strongly influences the longitudinal magnon dynamics. We derive the semiclassical response of a magnon wave packet in such a system to a weak, slowly varying perturbation and demonstrate that the wave packet velocity acquires a geometric contribution proportional to the momentum derivative of the symplectic quantum metric, which dominates over the conventional group velocity for a nearly flat band. Solving the resulting equations of motion, we obtain a bounded trajectory in real time with a phase-space area determined by the symplectic quantum metric.

We derive the tree-level interaction vertices of the linear sigma model with quarks in the presence of global rotation. Starting from the scalar and fermionic field solutions in a rotating background, we construct the corresponding spectral representations and use them to evaluate the mesonic self-interactions and Yukawa couplings of the model. We show that rotation modifies the usual momentum-space structure of the interaction vertices: conservation of longitudinal momentum is accompanied by angular-momentum selection rules, while the transverse dynamics is encoded in rotation-induced radial form factors involving products of Bessel functions. The resulting expressions provide a set of interaction rules adapted to the symmetries and finite geometry of the rotating system. Although derived within the linear sigma model with quarks, the structures obtained for scalar self-interactions and scalar-fermion couplings can be extended to a broader class of quantum field theories under global rotation. These results provide the building blocks for perturbative calculations and contribute toward a microscopic quantum-field-theoretical description of interacting matter in rotating environments.

We develop a technique to perform efficient unitary time evolution of a general spin Hamiltonian based on the system with identical qubits, as naturally realized by permutation symmetric atomic ensembles. We employ Cartan decomposition method to the associated Hamiltonian Lie algebra and construct the symmetry adapted generators to implement unitary operator of the ensemble Hamiltonian. This enables the compact circuit representations of the system dynamics in terms of experimentally accessible collective spin operations and exploits the Dicke basis structure of the ensembles as an effective qudit representation. We benchmark Cartan based evolution against both exact time evolution and the Suzuki Trotter product formula. Our results show that the Cartan protocol accurately reproduces the operator dynamics, spin expectation values, and fluctuation observables with zero error that are substantially smaller than those obtained through Trotterization while maintaining an optimized circuit structure. In addition, scaling analysis with the ensemble size demonstrates that the Cartan error remains independent of the atom number while the corresponding Trotter error increases with the system size, highlighting the improved efficiency of the Cartan approach for a larger system size.

We build a team of specialized large language-model agents and present an agent-driven workflow for research-level formalization in theoretical physics, with the autoformalization of the fundamental theorem of matrix-product states as a demonstration. The agents, coordinated through a structured mathematical blueprint and periodic human review, orchestrated and executed the full formalization autonomously. For some statements, the agents were able to explore new proof routes that are not part of the standard literature. Along the way the agents produced extensive tensor-network and quantum-information libraries not previously available in Mathlib, Lean's mathematical library. As a physical application, the formalization also extends towards symmetry-protected topological phases in one dimension. We find that the main bottleneck in large-scale autoformalization is enforcing mathematical intent and we provide a detailed study of the full process and various subtleties involved. We release the codebase as the library https://github.com/LionSR/TNLean{TNLean}, together with a -chapter https://lionsr.github.io/TNLean/blueprint/{blueprint} of the formalization effort.

Let P_h be a semiclassical pseudodifferential operator on a closed Riemannian manifold (M,g), with principal symbol p. We consider perturbations P_h+h^αQ, with 0<αle 1, where Q is a semiclassical pseudodifferential operator whose symbol oscillates at scale h^β, with 2β<α. Assuming that the classical dynamics of the unperturbed system on a regular energy surface p^{-1}(E) is hyperbolic, we prove a Gutzwiller trace formula for the perturbed operator that holds up to times of order |log h|. This formula relates the distribution of energy levels of the quantum system near the energy E to the periodic orbits of its classical counterpart. The perturbation h^αQ affects only the phases appearing in the trace formula.

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to these interacting fermion problems has exponential cost, while Monte Carlo methods are plagued by the fermionic sign problem. These limitations of classical computational methods have made even few-atom molecular structures problems of practical interest for medium-sized quantum computers. Yet, thus far experimental implementations have been restricted to molecules involving only Period I elements. Here, we demonstrate the experimental optimization of up to six-qubit Hamiltonian problems with over a hundred Pauli terms, determining the ground state energy for molecules of increasing size, up to BeH2. This is enabled by a hardware-efficient variational quantum eigensolver with trial states specifically tailored to the available interactions in our quantum processor, combined with a compact encoding of fermionic Hamiltonians and a robust stochastic optimization routine. We further demonstrate the flexibility of our approach by applying the technique to a problem of quantum magnetism. Across all studied problems, we find agreement between experiment and numerical simulations with a noisy model of the device. These results help elucidate the requirements for scaling the method to larger systems, and aim at bridging the gap between problems at the forefront of high-performance computing and their implementation on quantum hardware.

Crystalline materials are a fundamental component in next-generation technologies, yet modeling their distribution presents unique computational challenges. Of the plausible arrangements of atoms in a periodic lattice only a vanishingly small percentage are thermodynamically stable, which is a key indicator of the materials that can be experimentally realized. Two fundamental tasks in this area are to (a) predict the stable crystal structure of a known composition of elements and (b) propose novel compositions along with their stable structures. We present FlowMM, a pair of generative models that achieve state-of-the-art performance on both tasks while being more efficient and more flexible than competing methods. We generalize Riemannian Flow Matching to suit the symmetries inherent to crystals: translation, rotation, permutation, and periodic boundary conditions. Our framework enables the freedom to choose the flow base distributions, drastically simplifying the problem of learning crystal structures compared with diffusion models. In addition to standard benchmarks, we validate FlowMM's generated structures with quantum chemistry calculations, demonstrating that it is about 3x more efficient, in terms of integration steps, at finding stable materials compared to previous open methods.

Structured spatial data require quantum encodings that preserve geometric relations, expose measurable observables, and remain implementable on finite-depth hardware. This work introduces a quantum representation and circuit architecture for rigid-body transformations and specializes it to Denavit--Hartenberg kinematics of serial open-chain manipulators. Each translational contribution is factorized into a classical metric magnitude and a signed unit direction encoded by a single-qubit Bloch vector, while parameterized rotations reproduce the ordered propagation of frame directions. A selector register prepares probabilities proportional to the contribution magnitudes, and the reduced state of a designated readout qubit encodes their normalized weighted sum. The retained classical scale then reconstructs the metric end-effector position. Two additional readout qubits encode terminal-frame axes, providing a compact and geometrically interpretable pose interface. At the ideal expectation-value level, measured Pauli observables reproduce the corresponding classical kinematic quantities. Alternative circuit architectures realize the same representation with different tradeoffs in qubit count, circuit depth, controlled operations, and measurement requirements. Validation on a serial manipulator yields numerically negligible position and orientation reconstruction errors under ideal simulation. Finite-shot simulations, noisy executions, transpilation analysis, and a hardware demonstration further characterize statistical error, noise sensitivity, and implementation overhead without asserting computational advantage.

Classical machine learning (ML) provides a potentially powerful approach to solving challenging quantum many-body problems in physics and chemistry. However, the advantages of ML over more traditional methods have not been firmly established. In this work, we prove that classical ML algorithms can efficiently predict ground state properties of gapped Hamiltonians in finite spatial dimensions, after learning from data obtained by measuring other Hamiltonians in the same quantum phase of matter. In contrast, under widely accepted complexity theory assumptions, classical algorithms that do not learn from data cannot achieve the same guarantee. We also prove that classical ML algorithms can efficiently classify a wide range of quantum phases of matter. Our arguments are based on the concept of a classical shadow, a succinct classical description of a many-body quantum state that can be constructed in feasible quantum experiments and be used to predict many properties of the state. Extensive numerical experiments corroborate our theoretical results in a variety of scenarios, including Rydberg atom systems, 2D random Heisenberg models, symmetry-protected topological phases, and topologically ordered phases.

Photon loss and dephasing rapidly degrade the sensitivity of quantum sensors, yet systematic methods for designing error-correcting codes whose geometry is simultaneously adapted to the sensing task and the noise channel do not exist. Here we establish that orbital-angular-momentum (OAM) encoding and Gottesman-Kitaev-Preskill (GKP) lattice geometry are structurally coupled: an OAM mode of topological charge ell induces a phase-space rotation θ_ell=ellπ/ell_{max}, corresponding to a family of twisted GKP stabilizer lattices. Using an end-to-end differentiable Strawberry Fields--TensorFlow circuit, we jointly optimise ell, the lattice aspect ratio r, and the finite-energy envelope ε to maximise quantum Fisher information subject to P_{rm err}leq10^{-3}. The optimum occurs at the fractional charge ell=1.5 (θ=67.5^circ), implementable with a half-integer spiral phase plate, which reduces P_{rm err} by 23.9times relative to the square-lattice baseline while leaving F_Q unchanged to within 0.2%. This surpasses the best integer value (ell=2, 15.7times) and arises from an exact 180^circ periodicity of the P_{rm err}(θ) landscape, confirmed analytically and numerically. We derive a transcendental balance equation for the optimal angle θ^*(η,γ,r) and prove that it decreases with both γ and η. A Shannon-inspired metrological capacity C=F_Qcdot(-ln P_{rm err}), maximised at ell=1.5 with a 41% gain over the square lattice, quantifies the joint sensitivity--fault-tolerance resource. These results establish a geometric design principle for noise-adaptive quantum sensors and a fully open-source differentiable template extensible to other bosonic code families.