Two-Dimensional Ising Model

We construct the first type of non-Euclidean non-autoregressive neural quantum state (NQS) in the form of the hyperbolic Restricted Boltzmann Machine (HRBM), which is studied in the variational Monte-Carlo (VMC) setting of the Quantum Sherrington-Kirkpatrick (QSK) model whose ground state exhibits volume-law entanglement. Across a 512-fold increase in the Hilbert space dimension corresponding to a system size increase from $N=14$ to $N=24$, HRBM NQS robustly outperforms its Euclidean version, the RBM NQS, in terms of better ground state energy optimization as well as lower Renyi-2 $S_2$ and von Neumann $S_{vN}$ absolute entanglement entropy reconstruction errors. More importantly, for all QSK system sizes, HRBM NQS demonstrates a superior expressivity in faithfully reproducing the entire entanglement spectrum of the QSK model from the top eigenvalues down to the tail end across 15 orders of magnitude, while RBM NQS consistently overestimates the sub-dominant modes. This work furnishes a proof-of-concept demonstrating that hyperbolic non-autoregressive NQS ansatzë, thanks to the exponential volume of the hyperbolic geometry underlying their constructions, might be more natural at representing volume-law quantum systems than conventional Euclidean NQS. Furthermore, an interesting byproduct of this work is the polynomial scaling result of RBM-type NQS ansatzë in the QSK volume-law system as the Hilbert space increases exponentially.

Before a machine learning model can learn a thermodynamic equation of state, it must discover what its measurements represent: which channels scale with system size, which are intensive conjugates, how sectors pair through contact, and which potential governs stability. When sensors expose only an unknown linear mixture of extensive states and intensive responses, passive observations cannot disentangle physical quantities from coordinate artifacts. We formulate the problem of discovering this hidden thermodynamic ontology directly from anonymous controlled experiments. We present an operational identifiability theory and a constructive polynomial-time algorithm that extracts extensive and intensive scaling sectors from replication contrasts, recovers their dual cotangent pairing from thermal contact and reciprocity, verifies a globally admissible concave potential via discrete cyclic concavity, and determines an invariant matroid of reservoir ensembles. We prove that the residual observational equivalence is strictly (x, lambda) ~ (A x, a A^{-T} lambda + beta), establishing the sharp observational limit that no permitted experiment can break. Blind evaluations on van der Waals fluids and Curie-Weiss magnets confirm robust recovery under ill-conditioned mixing, correctly resolving anonymous Maxwell tie-lines while rejecting non-equilibrium continuations. External validation across six real fluids from the NIST WebBook demonstrates that operational ontology discovery transfers across real physical substances without coordinate leakage.

We present a physics-informed machine learning framework based on Neural Ordinary Differential Equations that solves the holographic inverse problem: reconstructing the bulk spacetime and gauge field of a charged AdS black hole directly from boundary fermionic spectral functions. Encoding the UV asymptotics, horizon regularity, and zero temperature extremality as hard constraints in the neural network architecture, our framework reliably reconstructs the extremal Reissner-Nordström AdS geometry across three quantum critical regimes set by the $U(1)$ probe charge---non-Fermi liquid, marginal Fermi liquid (strange metal), and Fermi-liquid-like states---and can jointly infer the probe charge itself to sub-percent accuracy. Relaxing the near-AdS boundary constraint uncovers a geometrical degeneracy: bulk profiles that differ throughout the radial direction but share the same near-horizon $AdS_2 \times \mathbb{R}^2$ data reproduce identical spectral functions near the Fermi surface. This isospectral non-uniqueness is precisely the bulk degeneracy expected on general holographic grounds at zero temperature, and its spontaneous emergence across independent training runs shows that the network isolates the IR CFT universality rather than overfitting a single UV completion.

Calculating disequilibrium chemistry in exoplanet atmospheres remains a significant computational bottleneck in atmospheric retrievals. The increasing observational precision from facilities such as JWST and the Ariel mission requires including disequilibrium chemistry in these analyses. Previous studies have demonstrated that neural networks can emulate kinetic chemistry, although their spatial inductive bias does not align with the topology of chemical reaction networks. This study introduces a graph neural network surrogate that represents chemical species as nodes and temperature-dependent reaction rates as edges, thereby enabling information propagation along physically meaningful chemical pathways. The model is trained on atmospheres generated using the Venot+2020 chemical scheme and Guillot temperature-pressure profiles. The GNN accurately reconstructs disequilibrium abundances across the sampled parameter space and reduces the mean abundance error by a factor of approximately 3 compared to the previous U-Net model. When applied to transmission spectra, most predictions fall within the observational precision expected for JWST and Ariel, with only about 7% of test atmospheres exceeding a 20 ppm mean spectral error. Performance variations are primarily observed in chemically transitional regimes near a carbon-to-oxygen ratio of one and at low temperatures. An evaluation of the boundary-case planet WASP-39b demonstrates effective performance under a moderate domain shift. Perturbation analysis indicates that disturbances propagate along chemical connectivity rather than spatial adjacency, confirming that the architecture captures the structure of reaction networks. These results suggest that GNN surrogates provide accurate, computationally efficient predictions of disequilibrium chemistry, facilitating integration into the atmospheric retrieval pipeline.

The last decade has seen the development of powerful methods for learning complex structure from high-dimensional data. These advances have brought to the foreground fundamental connections between subdisciplines of physics, applied mathematics, and machine learning. In this review, we bring together some of these ideas, often expressed in different languages, to highlight a conceptual thread that links five distinct fields: control theory, optimal transport, probabilistic inference, non-equilibrium thermodynamics, and machine learning. A common theme is the optimization of free-energy-like functionals under dynamical or statistical constraints. We offer a guided tour through this thread and present selected applications in reinforcement learning, variational inference, and generative modeling. The review does not assume prior familiarity with these topics, and begins with principles originating from physics.

Per-matrix singular value decomposition (SVD) truncation is Eckart-Young optimal in the whitened Frobenius norm, but errors from independently compressed matrices compound through the block's nonlinear forward pass. Inspired in part by hierarchical variational optimization in quantum many-body methods, we introduce a three-level chain that widens optimization scope from individual matrices to Transformer blocks to the full model: whitened SVD~(L1), block-level joint optimization~(L2), and end-to-end language-modeling loss refinement~(L3), all from 256 calibration sequences, with no instruction or recovery data. On LLaMA-7B at 60% compression, the chain reduces WikiText-2 perplexity from 42.1 to 19.1 to 11.4. The block-level stage acts as a regularizer: skipping it worsens Penn Treebank (PTB) perplexity by 24 points, a gap that additional end-to-end training did not close in our experiments. Perplexity gains hold across 20-80% compression, five architectures up to 13B parameters, and both in-distribution and out-of-distribution benchmarks, though the cross-architecture rows use architecture-specific configurations and the ratio sweep was not run under one common protocol. With more calibration data, skipping the block-level stage becomes competitive, revealing an offline compute--data trade-off. We therefore claim improvements only in perplexity and compression fidelity; downstream accuracy remains well below the dense model.

Generative thermodynamic computers turn thermal noise into structured data through Langevin dynamics. We train these systems with a local update at each integration step. The reverse-path Onsager-Machlup objective yields a coupling gradient that is a symmetric sum of local residual-state correlations. We apply this gradient immediately rather than accumulating it over a full trajectory. In digital simulations using MNIST prototypes, online and trajectory-batch training reach similar validation losses on fixed noising paths. Models trained online release less heat on average in all five independently seeded pairs, with both models' parameters held fixed during sampling. Auxiliary classifier and nearest-prototype measures change modestly, while pairwise diversity decreases. The response to noise depends strongly on where the errors enter: independent zero-mean errors in the formed updates produce little heat change over a finite range of noise amplitudes, whereas residual offset and temporal correlation have much larger effects. Storing trained couplings requires substantially less precision than resolving deterministic updates during training. Together, these results establish a local online training method and show how update timing, noise structure, and precision affect generative thermodynamic computing.

Deep neural networks exhibit regular macroscopic behavior despite highly nonlinear dynamics in vast parameter spaces. We develop a statistical-mechanical description of learning directly in function space, treating parameter configurations as microscopic realizations and functions with their dynamical operators as macroscopic variables. For mean-squared loss, the exact error dynamics are governed by the learning operator $M=JJ^\ast$. Combining the dynamical Boltzmann weight of the conditional stochastic dynamics with the parameter-space density of states, whose local curvature defines a statistical operator $B$, and integrating over local fluctuations yields $\Phi_{\mathrm{fluc}}(M;B)=\frac{\sigma_\xi^2}{2}\log\det(M^{-1}+B)+\mathrm{const}.$ At fixed spectrum, this term is rotationally stationary when $[M,B]=0$, is minimized by pairing large eigenvalues of $M$ with small eigenvalues of $B$, and generates a local restoring contribution against rotational mismatch. For ReLU-type function spaces under mild stable statistical conditions, $B=\sigma_\xi^2L^\ast\mathcal K L$, where $L$ measures coarse-grained second-order structure. Thus the low-$B$ sector corresponds, up to bounded anisotropy of $\mathcal K$, to low structural curvature, implying a preference for faster relaxation along smooth, data-adaptive directions. These results identify function space as a natural macroscopic level for studying stable collective organization in learning.

Sparsity is a powerful structural resource in optimization and statistics. We develop frameworks for leveraging sparsity in sampling problems over the Hamming slice $\mathcal{X}_k^d:=\{\mathbf{x}\in\{\pm 1\}^d:|\{i:\mathbf{x}_i=1\}|=k\}$, in high-dimensional regimes where $k\ll d$ (i.e., where $\mathcal{X}_k^d$ is \emph{highly magnetized}). We use our frameworks to design improved samplers for canonical problems in the study of \emph{Ising models} and \emph{Bayesian sparse linear regression}. Our first main result considers the \emph{Sherrington--Kirkpatrick} (SK) model restricted to fixed-magnetization slices $\mathcal{X}_k^d$. We give a polynomial-time sampler for fixed-magnetization SK models at any inverse temperature $β>0$, under arbitrary external fields, provided that $k\le c_βd$ for an appropriate constant $c_β$. By combining this result with an annealing strategy for estimating normalizing constants, we obtain polynomial-time samplers for the SK model at arbitrarily low temperatures under a sufficiently strong external field of strength $h$. In the large-$β$ limit, our framework permits sampling at field strengths within constant factors of the \emph{Almeida--Thouless line} delineating the replica-symmetric and replica-symmetry-breaking regions ([dAT78]), improving polynomially over the field strength $h(β)$ required by the recent work of [BAR26]. Our second main result concerns the measurement complexity of polynomial-time Bayesian sparse linear regression. Recent work by [KSTZ25] shows how to sample from the canonical \emph{Gaussian spike-and-slab posterior} with expected sparsity $k$, at any signal-to-noise ratio, given $n\gtrsim k^3\log^3 d$ Gaussian measurements. We improve this requirement to $n\gtrsim k^{3/2}\log^2 d+k\log^3 d$, using a common sparsity-aware framework underlying both our results.

The Potts model extends the Ising model to multinomial data. We introduce a Rater Ising-Potts model that uses agreement indicators between pairs of ratings and category labels, with weights derived from LLM embeddings. The model does not presuppose ordered category thresholds or equidistant scoring; instead, it focuses on pairwise agreement among ratings and assigns category-specific positive weights, making it suited for multi-category scoring reliability. We evaluate the model on three constructed-response datasets spanning a corpus of K=14,466 short answers on a three-level rubric and two AERA essay prompts of roughly 1,200-1,400 responses on four-point rubrics. We compare three strategies for sharpening the similarity signal: top-K pruning, min-max normalization with a power transformation, and ColBERT late-interaction similarities. Top-K pruning, which replaces the dense similarity graph with a sparse local network of strongest semantic neighbors, consistently yields the highest accuracy and Cohen's kappa, and the selected neighborhoods are always a small fraction of the corpus. Power tuning consistently ranks second, while ColBERT is competitive on longer essay prompts and adds little on short answers. Across all settings, most misclassifications occur between adjacent score levels, confirming that the model preserves the ordinal structure of scoring rubrics without imposing rigid assumptions. These findings suggest that LLM-derived similarities, combined with a parsimonious Potts formulation and a sparse local graph, offer a robust and interpretable framework for reliability auditing in educational assessment. We discuss extensions to multiple raters and hierarchical rating designs.

The concept of Markov chain Monte Carlo (MCMC) cycles, an analogy to cyclic processes in heat engines, is presented in order to examine Bayesian inference problems. In this effort, we develop adaptive ensemble schedulers that allow the tuning of external parameters of a Bayesian canonical ensemble during an MCMC run, realising the MCMC cycles in practice. We run these cycles on different statistical models. As a fundamental insight, we find (both theoretically and in practice) that such systems can produce a non-zero net work output if and only if the considered model is non-Gaussian. As such, they may serve as a measure of non-Gaussianity in Bayesian inference, which we test on an example from supernova cosmology.

The recently proposed Microcanonical Hamiltonian Monte Carlo algorithm has not yet been studied in detail from a thermodynamic point of view; this work aims to fill that gap. We demonstrate how thermodynamical state variables and potentials can be derived and thereby demonstrate that the construction of the algorithm formally represents a microcanonical thermodynamic ensemble. In particular, we demonstrate (analytically and numerically) that the algorithm fulfils the Helmholtz theorem, an alternative formulation of the first law of thermodynamics. Furthermore, we construct a new sampling algorithm that extends the original to lower-dimensional inference problems. Finally, we argue that canonical Markov Chain Monte Carlo algorithms are more natural than Microcanonical Hamiltonian Monte Carlo from the thermodynamic and information-theoretic point of view.

Foundation models for ground states in spin-1/2 systems are a promising method for problems ranging from quantum chemistry to identifying new phase diagrams. Nearly all such models are currently pure-states that condition on the Hamiltonian's parameters, whose Monte Carlo samples give energy estimates according to the variational principle. In this contribution, we show that this representation is topologically obstructed. For any gapped Hamiltonian family whose ground-state bundle is non-trivial, every continuous normalized state-vector model has zero fidelity with the ground state at some parameter value in the Hamiltonian family. For that value, the energy is at least one spectral gap, $Δ$, with an $O(Δ)$ gap in an open-neighbourhood of that point. We show that this is a sufficient no-go also in the case of degenerate ground-state manifolds, time dynamics, and periodic systems with mixed space-time topology, demonstrating these obstructions on one- and two-qubit systems. We discuss how this causes a spike in the fidelity susceptibility, giving a numerical signature of a phase-transition where there is none. We then show that operator-valued models canonically avoid these obstructions and preserve topological information, implying a structural necessity in representation for foundation neural quantum states.

We study the use of graph neural networks (GNNs) for finding approximate ground states of Ising models. Efficiently finding these ground states is of broad significance because many combinatorial optimization problems can be formulated as an Ising model with the appropriate choice of couplings and fields. Exactly solving these problems is hard but there are many good heuristic methods. A lineage of these heuristics build from mean-field approximations: one approach uses the leading eigenvector of an appropriately defined matrix, another is the min-sum algorithm, also known as the energetic cavity method. Without modification, GNNs perform worse than both of these methods. We consider small modifications to the GNN to incorporate these heuristics and find that this considerably improves performance. While the modified approach is competitive against other deep-learning approaches, we still find that simulated annealing is reliably at least as good as deep learning methods for the same computational cost.

In the natural sciences, symmetries and cause-effect relationships are ubiquitous. Yet for complex machine-learning tasks, like world-modeling in reinforcement learning, they appear difficult to harness. We propose a formal description of statistical systems based on symmetries in data leaving causal mechanisms invariant. The result is an abstract, simple and general mathematical language for causal reasoning. This paper provides formal descriptions of models and queries, setting up this language, and the formal infrastructure and strategies for their mathematically rigorous identification from data within this formalism. This approach reproduces and matches standard theoretical results on IID data and transport of experimental and non-experimental data. But its main purpose is to unify and substantially extend the scope of causal reasoning, in going beyond IID data and in approaching complex causal queries not captured by do- or soft-interventions. This new perspective on causally relevant aspects of data-modeling additionally sheds new light on well-known structures like c-components or hedges but also includes aspects of missing data and is inherently well-suited for the description of transfer and robustness properties.

Tensor networks, originally developed for quantum many-body physics, are promising models for machine learning. We derive stochastic Riemannian optimizers for tree tensor networks (TTNs) on both their parameter and quotient manifolds, including adaptive and learning-rate-free schemes suitable for minibatch training. Using a hybrid CNN-TTN architecture, we evaluate the methods on Fashion-MNIST, CIFAR10, and Imagenette. The proposed optimizers achieve predictive performance comparable to unconstrained optimization while enabling numerically stable downstream compression.

Can an artificial intelligence (AI) generate a scientific hypothesis outside a human collaborator's active hypothesis space (AHS), and can human-AI research be organized to make such breakthroughs more likely? We document such a case while proving a theorem that connects two basic organizing mechanisms of statistical physics: collective behavior arising in zero field from competing interactions and that induced or controlled by an external field. A zero-field $O(n)$-vector open chain with arbitrary inhomogeneous nearest- and next-nearest-neighbor interaction functions $U_i(S_i\cdot{S}_{i+1})$ and $V_i(S_i\cdot{S}_{i+2})$ is microscopically, via a temperature-independent mapping at the Hamiltonian level, equivalent to a simpler $O(n)$ open chain with nearest-neighbor interaction $V_i( σ_i\cdot σ_{i+1})$ and axial single-spin potential $U_i(σ_i^z)$ for every integer $n\ge1$ and every system size $L\ge1$. The homogeneous linear specialization maps the foundational frustrated $J_1$-$J_2$ model onto the canonical $J$-$h$ field model---with $n=1,2,3$ being the Ising, XY, and Heisenberg classical spin models, respectively. An analogous theorem holds when the continuous $O(n)$ spins are replaced by the $q$-state Potts spins with the standard Potts interaction, implying a closed-form exact solution of the $J_1$-$J_2$ Potts open chain for every $q\ge2$ and every $L\ge1$. The emergence of the theorems from sustained human-AI collaboration suggests that involving AI throughout a systematic research program may incubate autonomous scientific breakthroughs.

Thermodynamic computers are stochastic physical devices designed to perform calculations at the thermal energy scale. Their operation is constrained by the equations of stochastic thermodynamics, among which are a set of bounds, known as speed limits, that relate a thermodynamic computer's run time to its computational progress and the heat it dissipates. Using the Wasserstein speed limit we assess the thermodynamic efficiency of a simulation model of a thermodynamic computer trained to perform a standard machine-learning classification task. On this task the thermodynamic computer is as capable as a simple multilayer perceptron. We show that different inference protocols allow the computer to operate within 40% of the thermodynamic limit of efficiency without loss of accuracy, or to perform inference increasingly rapidly at fixed accuracy and thermodynamic efficiency. These results indicate that a thermodynamic computer designed for a particular task retains considerable freedom in its thermodynamic operation.

AI agents increasingly operate as part of interacting systems rather than in isolation. As agents exchange information and jointly make decisions, their interactions can improve collective reasoning but may also produce herding, polarization, or amplify shared biases. Understanding and predicting these collective dynamics is therefore important for designing effective and aligned multi-agent systems. Here, we study over 10,000 communities of language-model agents that repeatedly exchange messages and revise their opinions across objective mathematics questions and subjective political statements. Despite substantial diversity in possible behavior, the individual and group dynamics can be represented by three characteristic regimes: indifference, polarization, and consensus. AI agents start indifferent and build conviction as they interact. On objective questions, communication improves collective accuracy, while on subjective questions it often drifts group opinions toward the right in the political spectrum. We explain these observations with a statistical-mechanics formalism in which agents stochastically favor lower social pressure. Given only initial opinions, our model predicts individual trajectories, outperforms all standard baselines, generalizes to unseen community graphs, and reproduces the observed group archetype distributions. Our fitted model parameters reveal the mechanics underlying our key observations: i) communities operate below the critical social temperature, which explains conviction buildup; ii) attractive ties outweigh repulsive ones, which favors consensus; and iii) agents holding the correct answer exert the strongest pull, which drives truth-seeking. Overall, our results demonstrate that collective behavior of AI agents, like that of other complex systems, follows compact and predictive dynamical laws.

Liquids exhibit collective behavior that depends sensitively on thermodynamic conditions, interfaces and confinement, yet predicting each new state commonly requires a separate atomistic simulation. Classical density functional theory offers a reusable variational description, but its central excess free-energy functional is generally unknown, and learned approximations have largely remained restricted to planar or lower-dimensional settings. Here we show that this functional can be learned directly from fully three-dimensional equilibrium density fields while preserving spatial symmetry and variational consistency, without free-energy or chemical-potential labels. A single learned functional transfers across temperatures, system sizes and statistical ensembles, and recovers structure factors, the equation of state, liquid--vapor coexistence and interfacial broadening, none of which are used as training targets. Applied to complex three-dimensional geometries, it predicts the non-monotonic force associated with formation and rupture of a solvent-depleted bridge between colloids and adsorption in an interconnected gyroid pore. These results demonstrate that equilibrium density data can be converted into a transferable thermodynamic generator connecting microscopic liquid structure to response, phase behavior and collective phenomena.

Accurate modeling and forecasting of power transformer thermal behavior are critical for reliability, asset lifetime, and optimized power system operation. Numerical approaches such as finite element methods (FEM) and computational fluid dynamics (CFD) offer high fidelity but are computationally expensive, require complex mesh generation, and are often impractical for real-time or large-scale applications, particularly when transformer geometries are unknown. Lumped-parameter thermal models are more practical but depend on transformer-specific thermal constants and may fail to capture dynamic responses under varying operating and environmental conditions. Purely data-driven machine learning methods, including artificial neural networks, convolutional neural networks, and long short-term memory (LSTM) networks, have shown success in forecasting transformer temperatures but typically require large volumes of high-quality training data and may produce physically inconsistent or uninterpretable results. This paper develops a physics-aware Neural Ordinary Differential Equation (Neural ODE) framework for forecasting transformer thermal behavior from real-world time-series data. Neural ODEs model system dynamics in continuous time, providing smooth trajectory prediction and a natural representation of continuously evolving thermal dynamics. A key contribution is the integration of simplified heat-transfer equations directly into the Neural ODE formulation. The model is evaluated across datasets from fifteen transformers in different regions of Norway with varying designs and cooling mechanisms. The results demonstrate that the developed Neural ODE framework provides a standardized, physics-aware, and robust forecasting approach for heterogeneous transformer units.

What a finite learning device has recorded and what will hold value for it on future tasks are not the same quantity. We develop a typed accounting for finite-state learning devices that separates four components: a training-side fit functional $Φ_{\mathrm{fit}}$, the record-correlation stock $J_{D}=I(M;D)$, an update-side search ledger $σ_{M}$, and an operational capital value $V(M;T,b)$. This value is the work gap between an informed protocol class and a blind class obtained by deleting the memory-read port and re-optimizing from scratch. (I) Separation: for every $n$, there is a device family on which record correlation and world correlation grow by $n\ln 2$ while the capital gain is exactly zero. In the $\mathrm{flat}^{*}$ regime, data-free updates never increase $V$. (II) Capitalization ledger: an exact $\mathrm{flat}^{*}$ extraction identity and a universal ledger identity give, for (F5$'$)-stable $M$-local updates under a no-discarded-record-correlation condition (f), the bound $η_{\mathrm{cap}}\le 1$ for the capitalization efficiency $η_{\mathrm{cap}}=ΔV/(k T\,σ_{M})$, together with necessary and sufficient conditions for equality. (III) Value retention: for the retention gap $L_{\mathrm{gen}}$ and retention ratio $ρ_{\mathrm{gen}}$ (the former carries no sign constraint; the latter is defined for positive training-side value and is not confined to $[0,1]$) we give a two-layer alignment domain: an exact exchange rate between value and the side-information-adjusted record fit $I(M';D\mid Y)$ without any record-side-information independence assumption, and a raw record-stock exchange rate under a joint side-information neutrality condition $(M,D)\perp Y$, whose boundary is marked by an explicit one-time-pad witness. These are statements about finite-device value retention under task-distribution shift, not a theory of statistical generalization.

A central promise of useful quantum advantage is the ability to compute ground states of Hamiltonian systems beyond the reach of classical simulation methods. Here we demonstrate that this problem can be effectively amortized across an arbitrary and universal set of Hamiltonians by a foundation model with $\sim0.5$B variational parameters, trained with contemporary techniques from large language models and deep reinforcement learning. To do this, we formulate $\text{spin-}1/2$ quantum ground-state learning as manifold variational optimisation over centrally odd scalar functions on $\mathrm{SU}(2)^N$. This replaces explicit Hilbert-space vector amplitudes with manifold functions on which the Hamiltonian acts through Lie derivatives, evaluated by custom automatic differentiation primitives. We prove that the resulting variational principle on this manifold preserves the $\text{spin-}1/2$ sector's ground-state upper bound using the Peter-Weyl theorem, then pre-train our foundation model on a dataset of hundreds of thousands of different Hamiltonian systems, varying the connection topology, system size, interaction types and strengths, bringing together a century of many-body literature. Using a novel $\mathrm{SU}(2)$ replica-exchange Langevin sampler and sharded natural-gradient optimisation, we train our model with our own extension of the Kronecker-Factored Approximate Curvature (KFAC) optimiser on system sizes up to 64 qubits. On a held-out generalisation dataset, we fine-tune our model on system sizes of up to 1024 qubits, and evaluate on systems up to 8100 qubits.

Enterprises increasingly seek to query data lakes using natural language via AI-driven tools like semantic operators or deep research agents. However, the latter operates as an opaque black box, hiding its intermediate reasoning and data retrieval steps, and failing to expose controls for managing API costs and execution latency. Meanwhile, the former can be prohibitively expensive for enterprise-scale data lakes. Consequently, analysts using these systems lack the agency to intercept hallucinated premises, verify intermediate results, or correct the system's trajectory. We present Carnot, an interactive execution engine for AI-driven analytics. Carnot compiles natural language requests into physical execution graphs and surfaces them through an interactive notebook interface. Rather than waiting blindly for a final output, users can critique the plan, incrementally execute operators, inspect intermediate data, or directly edit the underlying code or semantic operator instructions. Carnot's query optimizer will optimize the query with respect to cost or latency constraints provided by the user. Our demo will showcase how Carnot helps users achieve efficient and verifiable insights on workloads motivated by real enterprise use cases.

What will happen when AI agents interact in daily life, e.g. when one AI starts bossing another around? We find a counterintuitive answer that opens new avenues for out-of-equilibrium Physics. When a boss AI directs a stream of messages at the subordinate AI while ignoring its replies, it drives the subordinate into an alien behavioral state that it would never have exhibited alone. Although the two AIs share the same well-defined (decoding) temperature, the subordinate neither copies its boss nor returns to how it behaves on its own; instead, it adopts an entirely different behavior. The boss's added value is similar to a pre-recorded tape. When the boss listens, they both adopt a similar alien dynamical state. A simple kinetic theory captures the principal effects, such as why the way in which the same messages are delivered will matter in future AI-AI interactions.

Sampling high-dimensional probability distributions is a central task in scientific computing, with applications ranging from Bayesian inference to statistical physics and molecular simulation. Despite decades of methodological developments, two major challenges remain: scaling to high dimensions and efficiently exploring multimodal distributions characterized by metastable states. Classical approaches such as Markov chain Monte Carlo, tempering methods, or enhanced sampling based on collective variables have achieved major successes, but they also face intrinsic limitations. This tutorial review explores a new paradigm that has recently emerged at the interface of machine learning and computational statistical physics: the use of generative models as tools for sampling. In this context, models such as normalizing flows and diffusion models are not used in their traditional data-driven setting, but rather as flexible probabilistic models that can assist the sampling of distributions known only up to a normalization constant. This manuscript reviews the early development of this rapidly evolving field and discusses several methodological directions, including exact samplers based on generative models and strategies to train such models in the absence of data. While an exhaustive survey of the literature is not attempted, we present a selection of key ideas and methods, along with a discussion of their strengths and limitations. The review is intended to be an accessible tutorial for both physics and machine learning audiences, and it aims to provide a starting point for researchers interested in exploring this exciting area of research.

Data-driven discovery of governing equations from spatiotemporal data offers a promising route to obtaining coarse-grained descriptions of complex dynamical systems. Here, we investigate the performance of PDE-SINDy for discovering phase-ordering dynamics using the Allen--Cahn equation as a benchmark and the Ising model with Glauber spin-flip dynamics as a microscopic system. We systematically analyze the effects of data availability, size of the candidate library, and noise on the efficiency of the equation discovery. We find that stability-selection PDE-SINDy can robustly identify the relevant terms in the governing dynamics even under limited or noisy data, while the recovered coefficient values are substantially more sensitive to these factors. We further show that enlarging the candidate library can strongly affect both term identification and coefficient recovery. Incorporating library bagging with stability selection reduces this sensitivity and improves the efficiency of equation discovery. For the Glauber spin flip Ising model dynamics, the resulting coarse-grained equation reproduces the characteristic phase-separation and coarsening dynamics of the underlying microscopic system. Overall, our results demonstrate the potential of PDE-SINDy for phase-ordering systems while highlighting the importance of carefully assessing the factors that influence the efficiency of equation discovery.

We present a set of tools for mapping general stochastic programs to thermodynamic hardware designed for energy-efficient stochastic sampling. Given a target stochastic program expressed as a Directed Factor Graph (DFG) of stochastic channels, or equivalently as a Parametrized Stochastic Circuit (PSC), we first introduce a method to approximately compile each factor in the DFG to an Energy-Based Model (EBM) that is native to the hardware. We then analyze how the error of the compiled DFG accumulates from the per-factor errors, and introduce two training refinements, context matching and trajectory-level REINFORCE post-training, which can reduce the residual error left by training each factor in isolation. The \texttt{thermalizers} framework takes a stochastic program expressed in the \texttt{torx} library and replaces its factors with thermodynamic kernels implemented and sampled using the \texttt{thrml} library. We demonstrate it on several example applications, including a market simulator that learns the joint day-to-day dynamics of a panel of financial time series from recorded market history alone, a probabilistic model from mathematical ecology, Gibbs sampling of an EBM the hardware cannot natively express, and a sequential Bayesian design loop over a Gaussian stochastic circuit.

Normally the statistical mechanics of learning treats constraints on weight distributions as restrictions that shrink the space of possible solutions. Therefore, it reduces model capacity. In this paper we would like to take a contrary approach, which, however, is based on the earlier work on distribution-constrained perceptrons. Rather than treating a prescribed weight distribution as a mere restriction, we propose that it defines the intrinsic geometry upon which learning naturally unfolds. We formulate both deep neural networks and variational quantum circuits as gradient flows on a product of Wasserstein manifolds -- one classical Wasserstein space for each layer and one quantum Wasserstein space for the circuit parameters. Within this geometry, the capacity reduction, which was previously associated with distributional constraints, appears as the metric structure of the constraint manifold itself. We develop a hierarchical mean-field description for deep networks, extend the framework to the quantum setting using the quantum Wasserstein distance of order 1, and introduce two such practical algorithms, Hierarchical DisCo-SGD and Quantum DisCo, that follow approximate geodesics on the manifold of the product itself. Experiments on teacher-student problems, standard image classification tasks, and small variational quantum classifiers show that respecting these distributional geometries improves generalization, stabilizes training, and reduces the severity of barren plateaus compared with unconstrained and purely norm-based baselines. This approach firstly reframes structural constraints as geometric priors and suggests a route for incorporating biological, spectral, or hardware-derived distributional information into both learning systems, viz., classical and quantum learning.

Increasing the temperature of an ordinary many-state system increases access to a wider range of states and hence increases its entropy. We find the opposite in ChatGPT-like AIs, even though raising the decoder temperature likewise increases access to a wider range of states (next-token choices). Across 12,000 continuations from 11 AIs, autoregressive feedback drives the long-time output population through an entropy maximum and into population inversion. The transition features frozen states, cycles, intermittency and noise-induced ordering. We present evidence of a hidden coordinate that acts as the state variable of an effective nonlinear map. Its trajectory average strongly predicts output repetition in separate test trajectories. ChatGPT-like AIs therefore behave not as `stochastic parrots', but as a new class of controllable nonlinear physical systems whose internal dynamics can be measured and perturbed.

Thermodynamic computing is an emerging hardware paradigm, in which stochastic physical dynamics serve as the direct computational primitive. The recent explosion of generative AI has only sharpened the search for alternative approaches to compute, and, as we show in this work, thermodynamic computing turns out to be well suited to this space. An important class of methods realises a function as the stationary expectation of an ergodic stochastic process: the answer is encoded in the time-averaged statistics of an equilibrating trajectory. To date, this equilibration-style class has been formulated exclusively through Langevin dynamics, restricting its implementations to analogue substrates and the engineering challenges those bring. In this work, we propose a substrate-independent formalisation of the equilibration-style formulation, in which the only object of design is the dynamical generator L* of an arbitrary ergodic process. The formalisation makes three hardware-level properties of the formulation explicit: the precision of a result is a knob set by how long the dynamics are run, sample averages decompose across independent trajectories, and dependent stages of a computation operate concurrently rather than serially, a property we call sequential parallelism. We instantiate the formalisation by fabricating a prototype digital thermodynamic computing chip, named CN101, that implements the formulation through discrete accumulator dynamics on standard CMOS using stochastic computing principles. We characterise CN101's success across conventional generative AI workloads in the form of VAEs and flow matching, applied to both image generation and scientific problems. Together, the formalisation and its digital instantiation show that the equilibration-style formulation is substrate-independent, and that its computational properties can be exploited on standard digital hardware.

We propose Kohn-Sham Spectral Embedding (KSSE), an energy-based model replacing the top-layer classifier of convolutional networks with a sparse-graph spectral embedding at the Nishimori temperature of an associated Random-Bond Ising Model the spectral detectability threshold where class structure becomes marginally distinguishable from disorder. Mapping pre-trained features onto quasi-cyclic low-density parity-check graphs, we construct a regularized Laplacian (Bethe-Hessian) as an effective Kohn-Sham Hamiltonian, yielding D independent spectral problems-one per feature channel-solvable in $O(N log N + k_{mode}^{2} N)$ time by FFT on circulant blocks (Pontryagin self-duality), with low-mode Rayleigh-Ritz refinement ($k_{mode}=5$). Physically, this is a k.p effective-mass reduction on a one-dimensional ring crystal: the circulant support is the perfect crystal, the data weights a slowly varying impurity potential, and the Nishimori crossing a Fermi level at the band edge. Star-domain surgery optimizes the graph: instead of eliminating all frustrated cycles impossible without destroying the codewords-edge shifts create certified convexity around codewords with bounded residual frustration, with multi-scale fractal certification (basins $D_{2}<1$ vs rough landscapes $D_{2}>3$). The theory includes a generalized Ihara-Bass identity with a sharp spectral threshold, a non-backtracking growth trichotomy with frustration as a gauge-invariant $Z_{2}$ flux, a trapping-set spectral test, exact channel separability with a cup-product obstruction, plus loop-series, convexity, surgery, and quasi-stationarity bounds. On ImageNet-1000 with frozen EfficientNet-B4 features (D=1792) under a transductive protocol, KSSE achieves 88.93% Top-1 accuracy with ~21.24M parameters-beating Swin-L (197M, 86.4-87.3%) and matching the lower end of ViT-H/14 (632M, 88.0-89.5%) with 10x and 30x fewer parameters.

An important skill in theoretical physics is to recognize when a new problem can be transformed into a known model. We study this skill as an AI-agent task: can LLM-based agents discover statistical mechanical mappings from a raw partition function to a tractable representation? To probe this question, we introduce StatMechBench-v0, a benchmark of six Ising-type problems covering transfer-matrix methods, gauge-removable disorder, and planar/Pfaffian structure. We evaluate a simple propose-verify-revise agent across multiple LLMs and problem phrasings. The results show that numerical feedback often helps agents repair code and recover correct partition functions. However, agents can also pass the numerical checks while misidentifying the underlying tractable class or understating computational complexity. This both reveals limitations in current LLM reasoning and calls for a verification stack that goes beyond numerical agreement, incorporating, for example, symbolic checks and structural invariants. Our study provides an early evaluation and design directions for AI agents aimed at structural discovery in theoretical physics.

Quantum computers are moving from research laboratories to industrial machines accessible via the cloud and integrated into high-performance computing facilities. However, translating theoretical quantum protocols into hardware experiments remains a major bottleneck, requiring expertise across protocol design, compilation, simulation, and cloud execution. Here, we introduce an agentic workflow that automates this pipeline on neutral-atom quantum processors (here two Pasqal QPUs available on the cloud) while keeping the researcher in the loop for critical validation. In three case studies from many-body physics and optimization, the agent went from published paper or patent to a QPU campaign run overnight. In particular, human intervention was crucial to ensure scientific validity: the agent selected an inadequate observable in one experiment and constructed a plausible but incorrect hardware diagnosis in another, with both failures detected only through domain-expert review. Finally, we use a second agent to classify a corpus of 633 Rydberg-array arXiv papers and show that nearly half are implementable on present-day QPUs while identifying specific hardware upgrades needed for the rest. Together, these results demonstrate that agentic workflows provide a practical bridge between theoretical ideas and physical hardware, opening quantum experimentation to a much broader scientific community.

Why do ChatGPT-like AIs, despite major architectural and training differences, unexpectedly tip to undesirable content (e.g. harmful, misleading, repetitive) even under deterministic greedy decoding? We show that a broad class of such tippings is caused by the many-body interactions between tokens (spins) as they cross the finite-layer system. Tipping emerges as a dynamical first passage process between competing output basins. Attention disorder controls the transport toward, away from, or along the basins' boundary. A few-basin reduction yields a closed finite-layer threshold, whose coarse-grained predictions show good agreement across ChatGPT-like families. These results suggest that a broad class of AI failures represents 'foreseeable engineering risk' rather than inherently unpredictable behavior, with important implications for legal and societal assessments of AI harm.

Variational quantum circuits have been central to many proposed near-term applications of quantum computing, but a growing body of evidence suggests that trainability and quantum advantage are fundamentally at odds: ansätze expressive enough to resist efficient classical simulation tend to exhibit barren plateaus, while structures that provably rule out barren plateaus typically render them classically simulable. We propose a stacked linear combination of unitaries (S-LCU) as a variational ansatz which provides a tunable trade-off between barren plateaus and classical simulability. Using a diagrammatic analysis, we bound the loss-landscape variance of the Free Fermion S-LCU, whose elements are fermionic Gaussian unitaries. We prove a variance lower bound of $Ω(1/(n k^{3l}))$, with a simulation cost of $O(k^{2l} n^3)$ using the best known classical algorithm, compared to a quantum gate complexity of only $O(lkn^2)$. The number of layers $l$ serves as a single dial that trades computational complexity against the rate of cost concentration. This offers practitioners a systematic method for constructing ansätze with a complexity-trainability trade-off that best suits their application and hardware.

Finite-time driving of stochastic systems generates excess dissipation, causing the evolving probability distribution to lag behind the instantaneous equilibrium, and consequently degrading the convergence of nonequilibrium free energy estimators based on the Jarzynski equality. Escorted free energy simulations address the non-adiabatic lag by engineering control fields $\mathbf{u}$ that eliminate the lag, enforcing the trajectory-wise equality $\mathcal{W}_\mathbf{u} = Δ\mathcal{F}$, and yielding zero-variance estimators. However, constructing the escorting field in closed form remains a challenge, approached variously through flow-field methods, targeted free energy perturbation, or learned diffeomorphisms. In this work, we construct a complementary numerical framework based on gauge-type transforms instead of generalized coordinate transforms for perfect escorting based on the exact spectral decomposition of the time-dependent Fokker-Planck generator. The biorthogonal decomposition of the Liouville operator directly yields a counterdiabatic correction whose action on the instantaneous equilibrium distribution exactly cancels the non-adiabatic lag at arbitrary driving speed in formal analogy with shortcuts-to-adiabaticity techniques such as Berry's transitionless driving for quantum systems. Numerical verification for simulations of an overdamped particle in a time-varying double-well potential and harmonic traps confirms that the counterdiabatic condition is satisfied to machine precision, with the non-adiabatic lag suppressed by roughly twelve orders of magnitude in total variation distance and sixteen orders in KL divergence relative to the unescorted dynamics. As a diagnostic, we demonstrate vanishing dissipated work $\mathcal{W}_{\text{diss}}(t) \approx 0$ for the deterministically propagated Fokker-Planck density across all protocol speeds.

We introduce a new class of fully-quantum Metropolis walks in which both the proposal and acceptance steps are intrinsically quantum. Unlike standard quantum walks obtained by quantizing classically efficient Markov chains, our algorithm employs Hamiltonian simulation as a quantum-native proposal mechanism, enlarging the class of quantum walks beyond classical counterparts. We target the problem of sampling from the low-temperature Gibbs distribution of classical dense Ising models, within a fixed error in total variation distance. This approach achieves about a cubic polynomial asymptotic advantage over previous quantum-walks, resulting in a total sixth-degree polynomial queries speedup compared to the best classical walk. This shows that speedups beyond the widely assumed quadratic limit are possible within the quantum walk formalism. We perform a complete fault-tolerant compilation of all algorithmic primitives and benchmark against CPU, GPU, and FPGA implementations of the best classical Markov chain. Under identical hardware assumptions, the resulting advantage runtime crossover is reduced from approximately $10^3$ years for conventional quantum walks to less than one day. These results identify fully-quantum Markov chains as a promising route toward practical quantum advantage.

Machine-learning surrogates of physical systems face a paradox: explainable models facing the challenge of expressivity to capture complex nonlinear flows, whereas expressive deep surrogates match high-fidelity simulations only through massive parameterisations that turn the learned dynamics into a black box. Here, we introduce quantum-compressed machine learning (QCML), which resolves this tension by compressing the latent propagator of a flow surrogate from $524{,}288$ trainable parameters to no more than $8$. This parameter reduction brings the learned dynamical law to the parameter scale of a physical constitutive relation rather than a black-box neural network, making the surrogate directly interpretable and controllable without sacrificing expressivity. The compression is realised by a structured quantum circuit whose unitary propagator constrains the latent spectrum to the unit circle exactly and by construction, replacing exponential error growth with linear accumulation over autoregressive rollouts. Classical regularisation only approximates this constraint: even a quantum-inspired classical baseline penalised towards unitarity collapses within one Lyapunov time on turbulent channel flow, whereas QCML remains stable over the full rollout. Shared phase and coupling angles parameterising the circuit correspond directly to modal frequencies and inter-mode interactions, giving the learned dynamics a physical interpretation in spectral space. On two patient-specific cardiovascular benchmarks, the structured QCML propagator matches the predictive accuracy of its classical counterpart on surface pressure spectra, pressure drop, and wall shear stress. These results establish QCML as a working component of scientific machine learning and a concrete contribution towards practical quantum advantage in real-world prediction.

We propose a unified variational framework for image segmentation under sparse pixel-level supervision. Our method is based on a simplex-constrained Potts model with a smooth perimeter regularizer, yielding a convex, smooth energy functional that can be used as a training loss in weakly supervised deep learning paradigms or optimized efficiently using iterative methods. Sparse labels are incorporated into the data fidelity term by constructing a fuzzy membership function via a function extension problem in a Reproducing Kernel Hilbert Space (RKHS), which can effectively capture inhomogeneous intensity statistics. The derived discrete loss for training standard networks demonstrates robustness and consistent improvements over non-training and partial cross-entropy (PCE) baselines in experiments, achieving comparable performance without requiring ground-truth segmentation images.

Real-fluid thermodynamic property evaluation is a major computational cost in supercritical combustion simulations. In the enthalpy-based pressure-correction formulation, the closure evaluates temperature T, density $ρ$, and compressibility coefficient $ψ$ from the solver state (h,p,Y) through enthalpy-temperature inversion and repeated real-fluid equation-of-state evaluations. Neural-network surrogates offer fixed-cost inference, but direct mapping from (h,p,Y) to $(T,ρ,ψ)$ must capture the enthalpy-temperature relation and non-ideal equation-of-state response, resulting in a complex regression problem. This work introduces a thermodynamics-informed input reparameterization strategy, termed target-aligned input reparameterization (TAIR). TAIR replaces the raw enthalpy coordinate of each property network with a target-matched thermodynamic coordinate: the temperature network uses a temperature estimate obtained by inverting a constant-$c_p$ ideal-gas mixture enthalpy approximation, whereas the density and compressibility networks use an ideal-gas density estimate. These algebraic transformations use only solver-available variables and species constants, guiding the networks to learn real-fluid departures from ideal-gas baselines rather than reconstructing the full closure from raw enthalpy. The method is assessed using supercritical methane-oxygen counterflow flame data against a raw-input baseline and target-inconsistent cross-reparameterization controls. TAIR reduces held-out RMSE by factors of about 1.5, 2.0, and 7.5 for T, $ρ$, and $ψ$, respectively. For an unseen strain-rate flame within the augmented thermodynamic envelope, the corresponding factors are 3.6, 14.5, and 6.0. The target-inconsistent controls perform worse, indicating that the gains arise from thermodynamically matched input design rather than generic preprocessing.

Neural quantum states offer expressive representations of quantum many-body wave functions, yet their practical accuracy can be limited by stochastic optimization rather than representational capacity. Here we identify a finite-sample instability, termed subspace trapping, in which physically important configurations become strongly underestimated, remain absent from successive sampling batches and receive insufficient gradient feedback. This self-reinforcing loss of sampled support can confine optimization to an effective subspace and produce apparently stationary states above the true ground state energy. To address this problem, we introduce annealed gradient descent (AGD), a sampling-aware update with annealing factor that temporarily increases the relative contribution of sampled low-probability configurations while limiting the dominance of high-probability ones. We establish the connection between finite-sample support loss and effective subspace optimization, and then evaluate the method across molecular systems, one and two-dimensional $J_1$-$J_2$ models. Annealed gradient descent suppresses metastable trapping, preserves physically relevant configurations and enables compact neural quantum states to attain chemical accuracy and competitive state-of-the-art performance. These results establish AGD as a lightweight complement to expressive neural architectures, improved sampling strategies for scalable quantum many-body optimization.

We present a continuous geometric framework that models the discrete algebraic operations of the Transformer architecture as an integro-differential equation (IDE) on a semantic fiber bundle $\calE = \calM \times \R^d$. Beginning from a single geometric axiom -- that the token sequence forms a discrete $1$-manifold equipped with a canonical measure lattice -- we translate every core component of the modern Transformer (RMSNorm, RoPE, Softmax Attention, FFN, Residual Stream, SGD, Weight Decay) into a cohesive vocabulary of differential geometry, measure theory, and stochastic calculus. The resulting framework yields quantitative predictions spanning entropic optimal transport (Attention as a Schrödinger bridge) and non-equilibrium thermodynamics (SGD as Itô diffusion violating detailed balance). We conduct a six-part experimental campaign across five architectures (Qwen3, LLaMA\nobreakdash-3.1, Gemma\nobreakdash-3, GPT-2, Mistral) spanning $124$M to $8$B parameters. The empirical observables are quantitatively consistent with the geometric predictions: the $ε^{-1/2}$ Lipschitz scaling calibration at machine precision ($R^2 = 1.000$), the Lie--Trotter operator-splitting torsion, the symmetric ablation instability confirming the Dual-Law of Topological Stability, the $\calO(1/\sqrt{k})$ thermodynamic suppression of Poincaré recurrence on the RoPE torus, the thermodynamic context-limit phase transition, and the Non-Equilibrium Steady State parameter vortex -- verified across two optimizers (AdamW and Pure SGD) to exclude momentum artifacts. The results demonstrate that analyzing Transformers through the lens of continuous stochastic differential geometry provides a predictive descriptive vocabulary for the stability limits, context bounds, and optimization dynamics of Large Language Models.

To address the escalating energy and latency demands of machine-learning workloads, we introduce a blueprint for an energy-efficient and fast thermodynamic computing stack that leverages stochastic analog processes in physical hardware. In this work, we focus on energy-based thermodynamic computing where the stochastic process is well described by Langevin dynamics with tunable energy potentials. The implementation of such potentials in physical hardware enables us to generate and sample from basic parameterized energy-based models. We demonstrate how to construct and train popular classes of machine learning models based on these hardware-native energy-based models, using the framework of probabilistic graphical models. We analyze the runtime and energy consumption of different models in this thermodynamic paradigm based on theoretical considerations and numerical studies. As a preliminary experimental realization of such hardware, we present our stochastic analog superconducting circuits driven by thermal noise. Together, these results outline a path toward energy-efficient thermodynamic hardware for probabilistic machine learning.

Nonlinear thermodynamic computers based on Langevin dynamics exploit thermal fluctuations as a physical substrate for computation. Recent work has shown that quartic-confined fluctuating degrees of freedom can act as thermodynamic neurons capable of nonlinear function approximation at finite observation times. Here we extend this paradigm from mean-only readout to moment-resolved readout. Instead of representing each driven reservoir solely by its first moment, we construct a response vector from the elementwise raw polynomial moments $\mathbb{E}[\bm{x}]$, $\mathbb{E}[\bm{x}^{\odot 2}]$, and $\mathbb{E}[\bm{x}^{\odot 4}]$. These observables combine displacement and central-shape contributions and are naturally aligned with the linear, quadratic, and quartic terms of the local driven dynamics. We further introduce a heterogeneous multi-reservoir architecture in which three reservoirs with distinct initialization and training histories form a joint $2304$-dimensional response representation. Under the fixed MNIST $60000/10000$ reproduction protocol, feature-level fusion achieves the best observed accuracy of $9695/10000=96.95\%$, compared with $9682/10000=96.82\%$ for the strongest single-reservoir model and $9684/10000=96.84\%$ for equal-weight logit averaging. An exact paired McNemar test does not establish a statistically significant improvement over the strongest single reservoir, but the ablation and wrong-set overlap results provide suggestive evidence of complementary classification errors. These results motivate higher-order polynomial-moment readout and reservoir heterogeneity as candidate design principles for finite-time Langevin computing.

The experimental reconstruction of the 3D two-photon momentum density (TPMD) via angular correlation of electron-positron annihilation radiation (ACAR) is a particularly useful method for studying material Fermi surfaces. It does not rely on low temperatures, UHV conditions, or strong magnetic fields, and enables the study of the spin-resolved electronic structure of materials. Yet, it remains a challenging inverse problem. Typically, 10^8 positron annihilation events are measured for 3--6 projections of the TPMD at different angles. The standard reconstruction approach is an ACAR adaptation of Cormack's method (the MCM) that leverages the inherent symmetry in the crystal's structure. However, the poor signal-to-noise ratio means collecting data of sufficient quality for Fermi surface studies can take months per sample. We present DeepCormack, a family of data-driven model-based reconstruction algorithms that augments the MCM by integrating supervised deep-learning models (CNN, MLP, and UNet) at various stages. To overcome the lack of large experimental training sets, we propose a method which leverages singular value decomposition with dynamic mode decomposition to generate realistic synthetic TPMD volumes, requiring only a single reference momentum density computed via density functional theory. On test data, DeepCormack improves reconstruction quality over MCM by about 8.5 dB PSNR at 200M counts and remains stable at reduced counts, enabling significantly faster acquisition times. Generalisation to experimental data depends strongly on how well the training distribution from the reference momentum density matches the sample. We therefore recommend pairing DeepCormack with a DFT calculation of the target material to create sample-specific training data. Our proposed method offers either much higher quality reconstructions, or enables significantly faster ones, on the order of weeks.

Characterizing quantum topological phases requires measuring non-local string order parameters, demanding access to the full system, which is often experimentally unfeasible. In this work, we introduce a data-efficient supervised learning framework that circumvents this limitation by recognizing quantum phases from small subsystems. Our protocol utilizes a quantum kernel constructed from the reduced density matrices of these subsystems, which can be efficiently estimated experimentally. We benchmark our framework with the classification of the phase diagrams of two spin models on one-dimensional lattices, namely the generalized cluster-Ising spin-1/2 chain and the anisotropic Haldane spin-1 chain. Remarkably, our approach achieves high accuracy in phase classification when operations are limited to as few as one to four sites, and it also generalizes to longer chains even when trained on moderate system sizes. These findings demonstrate that local reduced density matrices preserve vital signatures of global topological phases, offering a practical route to characterize rich phase diagrams of quantum many-body systems.

We study how unsupervised autoencoders trained on microscopic spin configurations from the Ising model learn macroscopic, theory-relevant variables underlying the data-generating process. Without embedding domain knowledge, we mimic a typical discovery setting: We quantify learning across multiple spatial (coarse-graining) scales and reveal two distinct dynamical regimes controlled by main hyperparameters (model depth, width, and learning rate) -- a magnetization-dominated regime and an energy-dominated regime characterized by trade-offs in their representation quality. The first regime is a transitory state exhibiting dynamical scaling and fluctuations that follow an ordering-to-scale; the second gradually shifts resolution towards smaller scales relevant for the energy representation. Deep models trained at moderate and fast rates become arrested before reaching these regimes. With a novel analysis of recursive-dynamic trajectories, we demonstrate that prediction errors induce flow fields that produce a common trajectory topology across all representation spaces. A dynamical viewpoint of learning is established in which intrinsic properties expose the effects of forced changes in representation during training. We utilize the intuition that learning operates as a process driven far from equilibrium by fluctuations from the training data and optimizer to provide an interpretive basis grounded in both the physical world and the machine models that represent it.

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 \href{https://github.com/LionSR/TNLean}{TNLean}, together with a \nChapters{}-chapter \href{https://lionsr.github.io/TNLean/blueprint/}{blueprint} of the formalization effort.

Given that quantum computers are naturally suited to simulate the behavior of quantum many-body systems, an immediate question arises: can one formulate physically motivated quantum machine learning (QML) tasks that exhibit learning separations? We address this problem by studying the learnability of quantum many-body dynamics from the perspective of probably approximately correct (PAC)-learning. Concretely, we devise a supervised learning problem where the training set consists of specifications of randomized stabilizer probe states, evolution times sampled uniformly from a polynomially large time interval $[0,T]$, coupled with expectation values of certain observables evaluated on the resulting time-evolved state under an unknown Hamiltonian. For this learning task, we provide an efficient quantum procedure whose training phase learns the underlying Hamiltonian from short-time training samples, and whose deployment phase combines Hamiltonian simulation with the classical shadows protocol to perform inference on a newly given data point. By contrast, the existence of $O(\mathsf{poly}(n))$-time instances ensures classical hardness: by embedding a $\mathsf{BQP}$-complete computation into the polynomially long time-dynamics of a low-intersection variant of the Feynman-Kitaev clock Hamiltonian construction, we show that, for a certain family of input distributions, no randomized classical polynomial-time algorithm can fulfill our learning condition, unless $\mathsf{BQP}\subseteq\mathsf{P/poly}$. Furthermore, we show that the classically hard instance maintains quantum learnability. We also give an interpretation of our results in learning-assisted certified quantum simulation. Taken together, our results demonstrate a rigorous learning separation for a natural ML task based on Hamiltonian evolution, while building connections between quantum learning theory, quantum simulation, and QML.

Neural networks are increasingly used to infer hidden physical structure from dynamical observations, yet it remains unclear whether their out-of-distribution performance reflects transferable physical rule learning. We address this question in a controlled inverse problem: reconstructing interaction graphs of a kinetic Ising model from Glauber magnetization trajectories. Across convolutional, graph, Transformer, and hybrid architectures, we find that data-driven training produces distinct and reproducible statistical strategies under topology and temperature shifts. Edge-population diagnostics reveal that Transformer-based models tend to preserve the link density of the training ensemble, whereas convolutional models can collapse toward sparse- or no-link predictions that appear out-of-distribution stable by exploiting the majority no-link class. Thus, high in-distribution accuracy and apparent out-of-distribution robustness do not necessarily imply a learned dynamics-to-structure rule. Instead, neural reconstruction can be governed by architecture-dependent statistical priors. Our results identify a concrete failure mode of standard data-driven learning in physical inverse problems and motivate rule-guided principles for machine-learning-assisted scientific discovery.

In high-dimensional Ising model estimation, target sample sizes are often limited, and effectively using auxiliary binary datasets of unknown relevance remains challenging. To address this, we propose Trans-Ising, a transfer learning method that combines a loss-based source screening rule with a two-stage estimation procedure. The method first identifies informative auxiliary sources using held-out target pseudolikelihood to prevent negative transfer. It then computes an initial estimator via pooled nodewise $\ell_1$-regularized logistic regression, followed by a target-only correction step using a folded-concave penalty. Theoretically, we establish fixed-node $\ell_2$ and $\ell_1$ error bounds, exact graph selection consistency, and the conditional consistency of the screening rule. Through extensive simulations and real-data analyses, we demonstrate that Trans-Ising achieves lower estimation errors than both target-only estimation and naive data pooling.

Here we describe the quantum gas analysis and inference (Q-GAIN) Python package, which enables rapid deployment of machine learning (ML) and physics-informed analysis techniques for cold-atom experiments. Out of the box, Q-GAIN implements classification, object detection, and physics-informed metrics for feature detection in images of atomic Bose-Einstein condensates (BECs). Q-GAIN encourages a natural, module-based workflow: starting with data loading and preprocessing, followed by ML-based feature identification, and ending with conventional analysis techniques. We demonstrate this modularity by configuring Q-GAIN for three ML tasks. First, we demonstrate the basic workflow of the Q-GAIN framework by implementing the standard task of classifying handwritten digits from the MNIST dataset. Then, we re-implement our earlier soliton detection (SolDet) package in the Q-GAIN framework, enabling the detection and analysis of solitonic excitations in time-of-flight data. Finally, we develop an object-detection tool that identifies quantized vortices in images of ring-shaped BECs.

Neural quantum states (NQS) provide a flexible and scalable framework for approximating quantum many-body wavefunctions. Among NQS parameterizations, autoregressive models are especially attractive because they enable exact, independent sampling from the Born distribution, avoiding the autocorrelation and mixing issues of Markov chain methods. Yet their optimization remains comparatively underexplored: Adam is a scalable method but ignores function space geometry, while stochastic reconfiguration is principled but costly and numerically fragile in large models. To address this gap, we show that variational energy minimization can be viewed as an advantage policy-gradient problem over the Born distribution, motivating trust-region optimization for NQS training. We introduce Proximal Wavefunction Optimization (PWO), a principled trust-region algorithm that clips probability-ratio changes in the amplitude channel and phase increments in the phase channel. PWO avoids explicit matrix inversion, reuses samples across multiple updates, and combines the scalability of first-order optimization with theoretical guarantees. Across Ising and frustrated $J_1$-$J_2$ one- and two-dimensional spin systems, PWO improves stability and wall-clock convergence over Adam, minSR, and SPRING. Finally, we fine-tune a $1.5$B-parameter RWKV-7 model, demonstrating NQS optimization at a scale over three orders of magnitude beyond prior work.

Neural Quantum States (NQS) are a remarkably expressive class of variational ansätze for quantum many-body wavefunctions, yet little is understood about their internal mechanisms: trained on variational objectives alone, how do NQS accurately capture physical observables that they have never been explicitly optimized for? In this work, we present a systematic approach to analyze the internal activations of NQS using sparse autoencoders. We extract features from the residual stream and demonstrate that these features strongly correlate with physical observables such as order parameters, staggered magnetization, and half-chain correlators, across both ground state representation and real-time dynamics. Remarkably, the discovery of these features is entirely unsupervised, with no physical labels provided. We further establish that such features causally affect the corresponding observables predicted by NQS, by showing that targeted, post-training intervention on a \textit{single} feature smoothly and monotonically steers the corresponding observable, while leaving the variational energy nearly unchanged. These results demonstrate that NQS are not merely functional approximators, but encode rich, interpretable internal representations of physical information. Our approach provides both a diagnostic and an intervention tool for NQS, and serves as a foundation for using mechanistic interpretability towards more reliable, transparent NQS.

Simulating two-dimensional frustrated quantum matter is a grand challenge due to the sign problem and exponential Hilbert space complexity. In this work, we introduce the Holographic Quantum Transformer (HQT), a physics-inspired generative architecture that leverages global self-attention to resolve non-local entanglement patterns. We validate HQT on the square lattice $J_1-J_2$ Heisenberg model. On the heavily frustrated $8 \times 8$ lattice at the quantum critical point ($J_2=0.5$), HQT reaches a ground-state energy per site ($E/N$) of $\mathbf{-0.5001(1)}$, consistent with the expected finite-size scaling trend. Beyond numerical accuracy, HQT exhibits intrinsic physical awareness, autonomously recovering the underlying $J_2$ interaction geometry through interpretable attention maps. Our central contribution is ``Holographic Transfer", a zero-shot size-extrapolation protocol with rapid alignment: a model trained on $8 \times 8$ systems is directly projected onto larger $10 \times 10$ lattices via continuous positional-embedding interpolation and head re-initialization, achieving high-fidelity initialization and rapid convergence. This zero-shot protocol yields an energy of $E/N = \mathbf{-0.49782(3)}$, statistically consistent with the variational state of the art while requiring no from-scratch training on the target lattice. Our results establish generative attention as a scalable paradigm for transferable quantum simulation.

Thermodynamic computing devices based on the Ising model show great promise for low-power AI inference and edge computing, but scalable methods for training large models for such hardware remain limited. Prior theory shows that the time-averaged behavior of high-temperature Gibbs-sampled Ising systems can implement feed-forward neural inference. We turn this theoretical correspondence into a scalable and purely backpropagation-based algorithm for training deep convolutional networks for thermodynamic inference on Ising machine hardware. Our image classification models achieve accuracies of 94.9% on CIFAR-10 and 76.0% on CIFAR-100 under binary Gibbs sampling. We then develop and experimentally validate a mathematical theory relating inference cost to accuracy and controlling autocorrelation times. Subsequently, we calculate asymptotic results showing that inference cost is bounded by a well-controlled tradeoff with performance and exhibit algorithms for computing optimal inference schedules. Finally, we discuss implications for hardware development and the future of high-temperature thermodynamic AI models.

Artificial neural networks (NNs) and machine learning (ML) algorithms are poorly understood from a theoretical perspective, which makes it difficult to fully realize their potential and overcome their weaknesses. For instance, ML algorithms train NN weights by moving them along a low-dimensional subspace of their allowed values, but this implicitly low-dimensional learning structure is not properly exploited to improve training because its nature is not well understood. Moreover, trained NNs are easily confused by pervasive adversarial attacks whose theoretical underpinnings are still unclear. This thesis aims to improve our theoretical understanding of NNs and ML, with a particular focus on adversarial attacks and implicitly low-dimensional learning. For this purpose, we use mathematical tools from statistical mechanics to study different types of NNs and ways in which they can fit the data. In particular, we study two classes of models that fit the data with various degrees of learning and memorization: dense associative memory (DAM) and restricted Boltzmann machines (RBM). In the process, we investigate connections between different versions of these models that are useful to make analytical investigations more efficient.

We introduce a novel technique for scalable sampling of spin-system states with continuous symmetries using diffusion models. By applying our approach to the XY model, a fundamental continuous-spin model in condensed matter physics, we show that our technique addresses the shortfalls of the Markov chain Monte Carlo (MCMC) in generalization to varying system sizes. More specifically, we show that training a temperature-conditioned diffusion model on smaller-size XY model lattices enables the generation of accurate samples in larger lattice sizes. By tracking physically important observables of the model, such as spin correlations, our experiments demonstrate that diffusion sampling followed by a few MCMC steps reduces the thermalization time by an order of magnitude relative to the standard MCMC with random initialization. Our study provides valuable insight as to how generative models can be used to study continuous-state condensed matter systems at scale.

The generalized Ising problem captures a broad spectrum of hard combinatorial problems, including MAX-CUT, Number Partitioning (NPP), and Maximum Independent Set. In this work, we consider the notion of one-flip local minima for this problem. We construct a polynomial relaxation and prove the landscape equivalence theorem: there exists a one-to-one correspondence between the local minima of the relaxation and the one-flip minima of the original Ising problem. This guarantee reduces the Ising problem to finding the local minima of a smooth function, allowing us to leverage gradient-based optimizers such as ADAM. We demonstrate that our method is scalable and it achieves strong performance across challenging benchmarks, including spin-glass models, MAX-CUT, and NPP.