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136 records · Page 2Linked to original sources
arXiv2026

Evolutionary design of thermodynamic logic gates and their heat emission

Landauer's principle bounds the heat generated by logical operations, but in practice the thermodynamic cost of computation is dominated by the control systems that implement logic. CMOS gates dissipate energy far above the Landauer bound, while laboratory demonstrations of near-Landauer erasure rely on external measurement or feedback systems whose energy costs exceed that of the logic operation by many orders of magnitude. Here we use simulations to show that a genetic algorithm can program a thermodynamic computer to implement logic operations in which the total heat emitted by the control system is of a similar order of magnitude to that of the information-bearing degrees of freedom. Moreover, the computer can be programmed so that heat is drawn away from the information-bearing degrees of freedom and dissipated within the control unit, suggesting the possibility of computing architectures in which heat management is an integral part of the program design.

cond-mat.stat-mech↗
arXiv2026

Physics-Informed Neural Network Surrogate for Oxygen Vacancy Dynamics in epitaxial $\mathrm{SrTiO_3}$ on Si memristors via Dynamic Spectral Optimization

Physics-informed neural networks (PINNs) offer a promising framework for modeling semiconductor devices, yet standard architectures struggle with severe numerical stiffness and multiscale spatial discrepancies inherent to oxide heterostructures. Here, we demonstrate a cascaded PINN architecture coupled with a custom second-order Chebyshev second kind polynomial spectral optimizer (DSO V2 Hybrid) to model ion-electronic drift-diffusion transport in Pt/SrTiO$_3$/Si memristive heterostructures across a 20 nm STO film on a 380 $μ$m Si substrate. By isolating potential, carrier density, and vacancy transport into four sequentially trained sub-neural-networks, our model circumvents condition numbers exceeding $10^{16}$ without operator splitting. The trained surrogate reproduces experimental conductive-AFM current-voltage hysteresis ($R^2 > 0.96$) while ensuring strict Poisson consistency across continuous space. Compared to conventional finite-element solvers (e.g., COMSOL), the PINN surrogate enables differentiable inverse parameter estimation and linear time inference.

cond-mat.mtrl-sci↗
arXiv2023

Information geometric bound on general chemical reaction networks

We investigate the dynamics of chemical reaction networks (CRNs) with the goal of deriving an upper bound on their reaction rates. This task is challenging due to the nonlinear nature and discrete structure inherent in CRNs. To address this, we employ an information geometric approach, using the natural gradient, to develop a nonlinear system that yields an upper bound for CRN dynamics. We validate our approach through numerical simulations, demonstrating faster convergence in a specific class of CRNs. This class is characterized by the number of chemicals, the maximum value of stoichiometric coefficients of the chemical reactions, and the number of reactions. We also compare our method to a conventional approach, showing that the latter cannot provide an upper bound on reaction rates of CRNs. While our study focuses on CRNs, the ubiquity of hypergraphs in fields from natural sciences to engineering suggests that our method may find broader applications, including in information science.

physics.chem-ph↗
arXiv2026

Emergent aggregation from collective foraging

Collective behaviour in living systems is usually modelled as the outcome of a \emph{direct} social drive: agents are rewarded, or hard-wired, to align with or approach their neighbours. Here we show that aggregation can instead emerge from an \emph{indirect} objective. We let reinforcement learning foragers, initially performing a random walk, optimize their dynamics from a purely individual reward for finding replenishable targets, while perceiving only their conspecifics and never the targets themselves. As the visual range grows, the agents undergo a sharp crossover from an environment-tuned individual search to a scale-agnostic collective one, and this crossover coincides with the onset of spatial aggregation. Thus a collective phase arises as a by-product of optimal foraging, without any direct reward for grouping. A minimal analytical first-passage model reproduces the transition as a crossover between the two search strategies. Our results identify indirect, resource-driven reward as a generic route to emergent collective phenomena.

cond-mat.stat-mech↗
arXiv2026

Importance and methods to control, vary, and characterize mud strength for studying locomotion

Animals and robots encounter mud at the water-land interface. Like sand, mud can stay solid or flow like a fluid. Unlike sand, the yield strength of mud at which solid-fluid transitions occur depends on not only the amount of solid relative to fluid (water in mud, air in dry sand), but also how much coarse grains and fine clay are within the solid. Despite understanding of locomotion on/within dry sand dominated by coarse grains with repulsive normal forces and friction, little is known for mud dominated by fine clay with strong cohesion. Here, we developed methods to prepare uniform mud of controlled, variable yield strength and characterize and track its drift from water evaporation. Compared to other flowable substrates, mud strength measured by upward force during penetration is weaker and can vary more, and mud sticks more during extraction to pull downward, making it more challenging for locomotion.

physics.bio-ph↗
arXiv2026

Evaluating LLM-based AI agents integrated with materials synthesis tools: the case of atomic layer deposition

This work provides an overview of the different strategies that can be used to evaluate the performance of AI models and agents based on large language models (LLMs) for materials synthesis. After providing a brief overview of the key technologies behind the current generation of AI agents based on LLMs, we summarize the different approaches to evaluating these models in the context of materials science and in particular on materials synthesis, with a specific emphasis on scenarios in which the models are directly integrated with experimental tools. We discuss evaluation strategies spanning knowledge and reasoning benchmarks, tool-use benchmarks, and closed loop benchmarks involving the interaction with experimental systems or realistic virtual tools. We use atomic layer deposition (ALD) as a case study, emphasizing how existing approaches in the literature both build from general approaches used beyond materials science and can be generalized to other materials synthesis techniques. Finally, we provide a practical evaluation framework to evaluate LLMs in the context of materials synthesis

cond-mat.mtrl-sci↗
arXiv2026

Large language model-enabled automated data extraction for concrete materials informatics

The promise of data-driven materials discovery remains constrained by the scarcity of large, high-quality, and accessible experimental datasets. Here, we introduce a generalizable large language model (LLM)-powered pipeline for automated extraction and structuring of materials data from unstructured scientific literature, using concrete materials as a representative and particularly challenging example. The pipeline exhibits robust performance across a broad range of LLMs and achieves an $F_1$ score of up to 0.98 for diverse composition--process--property attributes. Within one hour, it extracts nearly 9,000 high-quality records with over 100 attributes from a corpus screened from more than 27,000 publications, enabling the construction of the largest open laboratory database for blended cement concrete. Machine learning analyses underscore the importance of large, diverse, and information-rich datasets for enhancing both in-distribution accuracy and out-of-distribution generalization to unseen materials. The proposed pipeline is readily adaptable to other materials domains and accelerates the development of scalable data infrastructures for materials informatics.

cond-mat.mtrl-sci↗
arXiv2026

Correlation flow governs learning at criticality

The initialization of deep neural networks determines whether information and gradients can propagate across depth, yet a unified theory connecting these properties to learning dynamics remains elusive. Combining mean-field theory and random matrix theory, we establish a direct link between correlation propagation and the Neural Tangent Kernel (NTK) that governs learning in the sequential limit of infinitely wide, infinitely deep networks. Correlation propagation to infinite depth is possible only at a single, critical point in the weight-bias variance plane. At this point, we leverage the algebraic decay of the end-to-end Jacobian with depth to prove that the NTK becomes exactly proportional to the output correlation at infinite depth, tying together information propagation and learning dynamics. We further show that orthogonal initialization suppresses the leading finite-size corrections present under Gaussian initialization, clarifying the respective roles of the two initialization ensembles in this limit. These theoretical predictions are validated quantitatively on finite-width, finite-depth networks. Together, these results demonstrate that orthogonal initialization and criticality are required to control the asymptotic dynamics of deep learning.

cs.LG↗
arXiv2026

When Literature Data Mislead Artificial Intelligence in Materials Discovery

Artificial intelligence (AI) increasingly treats scientific literature as a data source for building databases, training predictive models, and guiding discovery. Yet literature-derived datasets often assume that reported experimental values are internally consistent and directly reusable. Here, we analyze this assumption using solid electrolyte (SE) conductivity data as a representative materials-science case. By tracing values from source articles to curated datasets, we identify recurrent text-figure mismatches, ambiguous axis annotations, unit inconsistencies, and missing measurement context. These discrepancies are often numerically plausible and therefore difficult to detect through routine preprocessing, but they can propagate as structured label noise during database construction and machine-learning reuse. A cross-database example shows how ambiguous reporting can create a 100-fold conductivity error. Our analysis reframes data accuracy as an infrastructure requirement for artificial-intelligence-driven discovery and motivates traceable reporting, curation, and validation practices for reusable scientific data. Keywords: AI for science; Data reliability; Scientific databases; Structured label noise; Literature-derived data; Materials informatics; Solid electrolytes

cs.IR↗
arXiv2026

Entropy-Generated Attention Beyond Softmax and Entmax: Kaniadakis and Reciprocal-Symmetric Abe Operators

We derive two attention operators from generalized statistical entropies. Kaniadakis entropy yields an exact full-support normalization whose weights and low-score sensitivities decay algebraically, rather than exponentially as in Softmax or by exact truncation as in entmax. Classical Abe entropy yields an implicit reciprocal-symmetric operator. With $q=e^ε$, the involution $q\leftrightarrow q^{-1}$ removes every odd correction about Softmax; we obtain the normalized second- and fourth-order terms, including the deformation of the normalization multiplier. These stationary laws follow from a Fisher-metric Lagrangian on the probability simplex, whose Shannon sector recovers scaled dot-product Softmax. We also give a tangent-gradient test for deciding whether changing the entropy changes the attention profile or only its scale. Rényi and two-parameter Sharma--Mittal entropies retain the Tsallis--entmax inverse-gradient shape, but their global moments make the effective temperature input dependent when the external temperature is fixed. Distinguishing profile-shape equivalence from fixed-parameter operator equivalence separates new normalization shapes from adaptive rescalings and organizes the operators by support, tail behavior, and realization complexity.

cs.LG↗
arXiv2026

Energy-Based Dynamical Models for Neurocomputation, Learning, and Optimization

Recent advances at the intersection of control theory, neuroscience, and machine learning have revealed novel mechanisms by which dynamical systems perform computation. These advances encompass a wide range of conceptual, mathematical, and computational ideas, with applications for model learning and training, memory retrieval, data-driven control, and optimization. This tutorial focuses on neuro-inspired approaches to computation that aim to improve scalability, robustness, and energy efficiency across such tasks, bridging the gap between artificial and biological systems. Particular emphasis is placed on energy-based dynamical models that encode information through gradient flows and energy landscapes. We begin by reviewing classical formulations, such as continuous-time Hopfield networks and Boltzmann machines, and then extend the framework to modern developments. These include dense associative memory models for high-capacity storage, oscillator-based networks for large-scale optimization, and proximal-descent dynamics for composite and constrained reconstruction. The tutorial demonstrates how control-theoretic principles can guide the design of next-generation neurocomputing systems, steering the discussion beyond conventional feedforward and backpropagation-based approaches to artificial intelligence.

cs.LG↗
arXiv2026

Separating perception from reasoning in vision-language models: a model-free render ceiling for crystal structures

Multimodal evaluations cannot say whether a vision-language model misread an image or misreasoned about it, because every existing method for separating the two places a second model in the loop. We introduce the render ceiling, a model-free reference for benchmarks built by rendering known objects: inverting the frozen cameras and re-solving cross-view correspondence recovers exactly the answer the images support. We prove the ceiling fails only through an enumerable set of projection coincidences and certify that set empty on 2,160 rendered crystal structures, so every point of a model's deficit belongs to the model. Across fourteen vision-language models, supplying exact geometry as text lifts every model yet closes under half the gap for thirteen, while a supervised vision model with no language component reads the same images at 0.8952, above every vision-language model. The instrument exposes extraction-stage fabrication that downstream accuracy would misattribute to reasoning, yields camera-placement rules for benchmark builders, and transfers to any benchmark with an invertible forward rendering.

cs.CV↗
arXiv2026

Depth-1 expanders on the unitary group and applications

We construct a constant-degree and constant-gap quantum expander on $n$ qubits where each unitary can be implemented by a depth-$1$ and 1D circuit of Pauli or CNOT gates. We provide two applications of this expander. First, we use it to construct a family of frustration-free 1D Hamiltonians whose ground states obey the entanglement-gap relation $S = Θ(Δ^{-1/2})$; this is believed to be optimal, but achieving it had been open. Second, we use it to provide a streaming protocol that tests for closeness to a class of 1D volume-law entangled states. Moreover, we extend our quantum expander to a constant-degree and constant-gap expander on the unitary group where each unitary is a single $T$ gate, a single $T^{\dagger}$ gate, or a depth-$1$ Clifford circuit. This implies that a random sequence of unitaries from the expander yields a gapped walk on a dense subgroup of the unitary group. This improves upon previous work by Bourgain and Gamburd which did not control the dependence of the gap on the dimension.

quant-ph↗
arXiv2026

Computing stable configurations of confined smectic liquid crystals with a deep variational framework

Smectic liquid crystals are layered liquid-crystalline phases characterized by orientational order and periodic density modulation. Although their structures can be modeled using continuum theories, computing stable configurations remains challenging in complex geometries, particularly when the high-frequency density modulations associated with smectic layering should be resolved. We propose a deep variational framework (DVF) for computing these configurations within the modified Landau--de Gennes model, in which the coupled orientational and positional order parameters are represented on a regular reference domain while physical confinement is incorporated through coordinate mappings. A warmup penalty mitigates the spectral bias of neural networks toward smooth, nonlayered fields, enabling robust recovery of oscillatory smectic states. Comparisons with a neural-network baseline and finite-difference relaxation demonstrate the essential role of this penalty and the numerical stability of the resulting layered states. The DVF reproduces experimentally established smectic-A defect structures and layer morphologies across diverse confinement geometries and further predicts a chevron-like smectic-C state in a tangent-anchored sphere. Together, these results demonstrate the applicability of the DVF to computing stable smectic configurations across experimentally relevant confinement geometries and anchoring conditions.

cond-mat.soft↗
arXiv2026

Deep Learning as Neural Low-Degree Filtering: A Spectral Theory of Hierarchical Feature Learning

Understanding how deep neural networks learn useful internal representations from data remains a central open problem in the theory of deep learning. We introduce Neural Low-Degree Filtering (Neural LoFi), a stylized limit of gradient-based training in which hierarchical feature learning becomes an explicit iterative spectral procedure. In this limit, the dynamics at each layer decouple: given the current representation, the next layer selects directions with maximal accessible low-degree correlation to the label. This yields a tractable surrogate mechanism for deep learning, together with a natural kernel-space interpretation. Neural LoFi provides a mathematically explicit framework for studying multi-layer feature learning beyond the lazy regime. It predicts how representations are selected layer by layer, explains how emergence of concepts arises with given sample complexity, and gives a concrete mechanism by which depth progressively constructs new features from old ones through low-degree compositionality. We complement the theory with mechanistic experiments on fully connected and convolutional architectures, showing that Neural LoFi improves over lazy random-feature baselines, recovers meaningful structured filters, and predicts representations aligned with early gradient-descent feature discovery with real datasets.

cs.LG↗
arXiv2026

Physics-Informed Neural Networks for Depth-Averaged Granular Avalanche Dynamics on Curved Topography

Physics-informed neural networks (PINNs) provide a mesh-free framework for solving governing equations, but their application to granular avalanche dynamics over curved terrain remains largely unexplored. This study extends a depth-averaged PINN formulation based on the Savage-Hutter equations to an exponentially curved chute with spatially varying inclination and a strain-rate-dependent Mohr-Coulomb earth-pressure closure. The model is validated against measured front- and rear-edge trajectories from a laboratory granular-avalanche experiment, with selected observations withheld from training. A staged temporal curriculum proved essential for accurate prediction, reducing the held-out trajectory error by approximately two orders of magnitude compared with training over the full time domain from the outset. Sparse-data experiments further showed that observation placement was more influential than observation number within the configurations tested. Four observations bracketing the transition from acceleration to deceleration achieved nearly the same accuracy as the eight-observation reference configuration, whereas observations clustered at early or late times performed poorly. The results demonstrate the importance of both training strategy and informative data placement when applying PINNs to granular flows over curved topography.

cond-mat.soft↗
arXiv2026

Criticality and universality in network dismantling

Identifying the smallest set of elements whose removal dismantle a complex network, known as the network dismantling problem, is a fundamental task with many practical applications. Whereas network dismantling has been extensively studied over the past decade, most work has focused on developing efficient algorithms for large but finite networks. By contrast, the physics of the network dismantling process, namely how the network structural connectivity is affected by the removal of nodes or edges, remains largely unexplored in the thermodynamic limit. Here, we shed light on this understudied aspect of network dismantling by introducing an adaptive biased percolation process able to optimally dismantle a network. Through a systematic analysis of synthetic network models, we find that the proposed percolation process displays a universal phase transition, characterized by the abrupt and simultaneous disappearance of both the giant connected component and the largest 2-core, across networks with markedly different degree distributions. Simulations on real networks further support this universality, indicating that the physics of network dismantling is insensitive to a broad range of topological properties. Together, these results suggest that a topology-agnostic theory could be developed to explain the critical behavior of network dismantling.

physics.soc-ph↗
arXiv2026

A Heterogeneous General Model for Neuromorphic-Inspired Computation

In recent years, both academia and industry have focused on the development of computational architectures inspired by the distributed, adaptive, and event-driven characteristics of biological neural systems, with the aim of reducing the computational cost associated with conventional training approaches [1]. However, a major challenge is the lack of general models and design guidelines for emerging computational systems and hardware. This work introduces a general model based on an input-dependent stochastic weight network, referred to as a substrate. The substrate weights evolve through input-triggered stochastic updates, with correlations between weight coefficients described by a matrix-valued covariance kernel. The proposed framework is implemented using quadratic polynomial weight functions, where the input amplitude controls the magnitude of the stochastic perturbation and a substrate-dependent distance determines the correlation structure. Numerical simulations show that correlations in the stochastic weight evolution significantly affect the system response, suggesting a potential mechanism for neuromorphic-inspired computation without conventional weight training. The aim of this work is to provide a general formulation of the model and identify its main properties and characteristics. 1 H. Jaeger, Towards a generalized theory comprising digital, neuromorphic and unconventional computing, Neuromorphic Comput. Eng., vol. 1, no. 1, p. 012002, Sep. 2021

cond-mat.dis-nn↗