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01.
arXiv (CS.CV) 2026-06-12

GAE: Unleashing Physical Potential of VLM with Generalizable Action Expert

Vision-language models demonstrate strong reasoning and planning abilities, yet grounding these predictions into precise robot actions remains a central challenge. Existing Vision-Language-Action methods typically entangle reasoning and action generation, leading to limited generalization. We propose Generalizable Action Expert (GAE), a task-agnostic model that converts sparse geometric plans into dense robot actions. Our approach introduces a sparse geometric interface: the VLM predicts sparse 3D waypoints representing high-level intention, while GAE maps these waypoints together with real-time point cloud observations to continuous action trajectories. GAE is pretrained on a large-scale pointcloud-trajectory dataset comprising 150k trajectories from both simulation and real-world robots. To further improve efficiency and generalization, we introduce an Action Pre-training, Pointcloud Fine-tuning (APPF) scheme that decouples learning action dynamics from geometry grounding. After pretraining, GAE is frozen and reused across downstream tasks, requiring only lightweight fine-tuning of the VLM to produce the sparse interface. Experiments show that our method achieves strong performance and generalization across diverse visual domains, camera viewpoints, and natural language instructions.

02.
medRxiv (Medicine) 2026-06-23

The Target ALS Global Natural History Study: Cross-platform proteomics to accelerate biofluid biomarker and drug target discovery in amyotrophic lateral sclerosis

Amyotrophic lateral sclerosis (ALS) is a fatal, rapidly progressive neurodegenerative disease of motor neurons for which therapeutics are limited. Improved biomarkers are imperative to improve patient care and therapeutic development. Here, we employed 35-plex isobaric tandem mass tag labeling based on isobutyl-proline reporter group (TMTpro) to perform unbiased proteomic analysis of cerebrospinal fluid (CSF) and plasma from control (n= 28, n= 31) and sporadic ALS (sALS) (n= 39, n= 41), from the Target ALS Global Natural History Study (TALS GNHS). We identified 2,875 proteins in CSF and 1,118 proteins in plasma and identified known and novel differentially expressed proteins (DEPs) between controls and sALS, some of which were orthogonally validated using immunoassay. Comparison of TMTpro-MS and Olink proximity extension assay proteomics revealed common and non-overlapping differentially expressed proteins illustrating strengths unique to each platform. This initial cross-sectional proteomic study of biofluids from the TALS GNHS, with unrestricted availability of study results to the research community, highlights the potential of this resource as a potent platform for ALS biomarker discovery.

03.
medRxiv (Medicine) 2026-06-22

Three multimodal large language models fail at clinically actionable breast pathology in three different directions

Background. Breast cancer treatment depends on histopathological features, such as grade and receptor-defined subtype; however, specialist pathologist access is constrained when the workforce is limited. Commercial multimodal large language models (MLLMs) accept hematoxylin and eosin (H&E) image tiles through paid interfaces without local hardware or fine-tuning. However, prior pathology evaluations addressed only coarse tasks. Whether they reach treatment-determining accuracy and whether vendors agree remain unclear. Methods. We aimed to evaluate three vendor-designated flagship MLLMs (Claude Sonnet 4.6, Gemini 2.5 Pro, GPT-5.5) in 427 invasive breast cancer cases. Each case went to all three with identical H&E tiles and prompts, and the subtype was inferred in the second call. The reference was an institutional sign-out report of an immunohistochemistry-derived subtype. We calculated the concordance, sensitivity, specificity, Cohen's kappa, and pairwise McNemar and Bowker tests. Findings. Claude ranked highest by raw histologic-type concordance but lowest by kappa, classifying all 23 lobular and seven micropapillary carcinomas as invasive breast carcinoma of no special type. The models anchored the Nottingham grade to three modal grades. None of the models reliably identified human epidermal growth factor receptor 2-positive disease. The failure direction was vendor-specific: Claude and GPT-5.5 were under-detected, whereas Gemini was over-called. Twelve prompt variants (4,056 calls) did not recover sensitivity. Interpretation. No current commercial MLLM reaches deployment-ready accuracy for any treatment-determining feature of breast pathology. As each vendor fails in its own fixed direction, changing vendors alters the type of error rather than removing it; therefore, the value of these models is assistive rather than autonomous. At USD 0.20-0.50 per case, they may serve as supervised draft generators that leave the diagnosis with the pathologist.

04.
arXiv (CS.AI) 2026-06-16

Provenance-Enhanced Statements in Knowledge Graphs

arXiv:2606.15246v1 Announce Type: cross Abstract: Provenance-enhanced statements of the form "according to $X$, $\varphi$" are pervasive in contemporary knowledge graphs, especially in domains where graph content primarily represents claims, interpretations, and hypotheses (capta) rather than observer-independent facts (data). Current provenance models can record who asserted what, but they typically treat provenance as semantically neutral, leaving underspecified how attributed claims relate to factual commitment, to one another, and to reasoning. In this paper we introduce DEC, a framework that interprets provenance predicates as indicators of epistemic stance and groups provenance-homogeneous sets of statements into cognitive worlds. Drawing on cognitive modal logics (doxastic, epistemic, and conjectural), DEC characterizes locality, rationality, and controlled permeation between cognitive worlds and a distinguished factual core ("reality"), thereby enabling principled reasoning over attributed content without collapsing disagreements into inconsistencies. We formalize a DEC interpretation for RDF datasets that is conservative over RDF~1.2 semantics, clarify the role of intensionality and identity (including the Superman paradox), and illustrate the approach on common Semantic Web representations (named graphs, quoted triples/RDF-star, and reification). Finally, we describe our prototype DEC reasoner implemented as a Fuseki dataset module, supporting controlled factualisation and explicit detection of disagreements and delusions.

05.
Nature (Science) 2026-06-10

Efficient and accurate neural-field reconstruction using resistive memory

Authors:

Applications such as medical imaging, augmented and virtual reality, and embodied artificial intelligence (AI) depend on the ability to reconstruct complex signals from sparse observations. These applications are characterized by incomplete measurements and limited computational resources. Traditional approaches to digital hardware face the following challenges: explicit signal representations require heavy sampling and storage, data movement across the von Neumann bottleneck dominates energy and latency, and CMOS (complementary metal–oxide–semiconductor)-based circuits offer limited parallel efficiency. Here we present a software–hardware co-optimization framework for sparse-input signal reconstruction. At the software level, we use neural fields1 to implicitly represent signals using neural networks, which are further compressed by low-rank decomposition and structured pruning. At the hardware level, we design a resistive-memory-based computing-in-memory platform, featuring a Gaussian encoder and a multi-layer perceptron processing engine. The Gaussian encoder leverages the intrinsic stochasticity of resistive memory for efficient encoding, whereas the processing engine enables precise weight mapping through a hardware-aware quantization circuit. On a 40-nm 256 Kb resistive-memory macro, the system delivers 23.5×, 21.0× and 32.3× gains in projected energy efficiency, together with 10.8×, 38.8× and 6.2× gains in projected parallelism, for three-dimensional computed tomography sparse reconstruction, novel view synthesis and dynamic-scene novel view synthesis, without compromising on reconstruction quality. This work advances AI-driven signal reconstruction technology and paves the way for future efficient and robust medical AI and three-dimensional vision applications. A co-optimized AI hardware–software system using resistive-memory computing improves energy efficiency and parallelism for sparse signal reconstruction in imaging and three-dimensional vision applications.

06.
arXiv (CS.CV) 2026-06-16

WaveDINO: Learning-Based Atmospheric Correction of Unwrapped InSAR Interferograms Validated by GNSS: Results at Laguna del Maule and Campi Flegrei Volcanoes

Interferometric Synthetic Aperture Radar (InSAR) enables effective monitoring of volcanic deformation; however, the observed signals are often corrupted by atmospheric phase delays, seasonal surface changes, and decorrelation effects. Existing atmospheric correction methods, such as numerical weather model-based methods, can reduce these effects but do not consistently remove atmospheric artefacts and may introduce residual biases. To address these limitations, we propose a novel learning-based method for denoising unwrapped InSAR interferograms, using a hybrid training strategy that combines physically motivated synthetic deformation with real atmospheric noise. Specifically, we introduce WaveDINO, a wavelet-based multi-scale denoising framework conditioned on frozen DINOv3 foundation-model features and terrain information. Training uses synthetic magma-source deformation superimposed on short-term interferograms to expose the network to realistic atmospheric statistics while retaining known ground truth. Performance is evaluated on both controlled synthetic data and long-term real interferograms from Laguna del Maule (Chile) and Campi Flegrei (Italy), with independent GNSS measurements used for validation. WaveDINO consistently outperforms competing models, improving agreement with GNSS measurements, and reducing mean GNSS misfit by approximately 3% and 19% at two sites, respectively, while surpassing weather-model-based corrections.

07.
arXiv (CS.CV) 2026-06-19

Evaluation of Image Matching for Art Skills Assessment

While some individuals possess a natural talent for drawing, mastering this skill requires dedicated training and practice. Determining one's skill in the art of drawing requires proper comprehensive assessment. In this paper, we propose a method to measure drawing skill by by matching the hand-drawn image with the original template. Existing techniques often involve complex processes. However, advancements in computer vision allow us to train computers to perform these comparisons at a human-like level, thereby resolving the tedious and overwhelming traditional process. Using computer vision applications, determining image similarity involves identifying the level of similarities in an image with a reference image. We have implemented and analyzed the SIFT feature and Siamese network to measure image similarity. Our results indicate that it is feasible to assess art skill levels. Through feature analysis, we found that SIFT-based key point matching provides a more effective means of detecting drawing skills.

08.
arXiv (CS.AI) 2026-06-16

A comparative and critical study of EEGNet for fNIRS-driven cognitive load classification

arXiv:2606.16160v1 Announce Type: cross Abstract: Accurately classifying cognitive load from functional near-infrared spectroscopy (fNIRS) signals remains a significant challenge due to temporal variability, inter-subject differences, and sensitivity to preprocessing choices. This study provides a comprehensive evaluation of EEGNet for fNIRS-based cognitive load classification by systematically examining the effects of temporal segmentation strategies (overlapping vs. non-overlapping), window lengths (10s, 20s, 30s), feature extraction methods (Analysis of Variance (ANOVA), Principal Component Analysis (PCA), Fast Independent Component Analysis (FastICA)), learning rate configurations (fixed and adaptive), and evaluation protocols (random split vs. subject-independent (SI)). Results from random-split experiments show that overlapping segmentation, combined with smaller fixed learning rates (0.01-0.001), yields the highest accuracies, due to temporal redundancy and dense sampling of hemodynamic transitions. However, SI evaluation reveals a substantial drop in accuracy, demonstrating limited generalization to unseen participants. Under SI evaluation, non-overlapping segmentation outperformed overlapping windows, with the best accuracy of 56.11% achieved using PCA features with a 20-second window and a 0.1 learning rate. These findings indicate that eliminating temporal redundancy helps the model learn more robust and generalizable representations of cognitive load across individuals. Although adaptive learning rate strategy improved training stability, it did not surpass the performance of optimally selected fixed learning rates. The study highlights the critical role of segmentation strategy and learning rate selection in improving model generalization and identifies methodological considerations essential for developing reliable, real-time, and SI cognitive load classification systems using fNIRS.

09.
arXiv (quant-ph) 2026-06-12

Toward Entanglement Bootstrap for Conformal Field Theory in Any Dimension

arXiv:2606.12540v1 Announce Type: cross Abstract: Given a quantum critical wavefunction in any dimension, we propose a reconstructed Hamiltonian, analogous to the ones previously found for 1+1d CFT and for 2+1d bosonic liquid topologically-ordered states. We test numerically that, for known regularized approximate CFT groundstates (on the icosahedron and the fuzzy sphere), (1) they are close to the groundstate of their reconstructed Hamiltonian, and (2) the spectrum of their reconstructed Hamiltonian on the unit sphere has CFT properties (integer spacing of descendants) and matches known low-lying energies. We show that this provides an automated method to improve the finite-size effects in a fixed Hilbert space.

10.
arXiv (CS.LG) 2026-06-16

Filtered Conformal Ellipsoids for Graph-Native Time Series

arXiv:2606.17014v1 Announce Type: new Abstract: Joint prediction sets for multivariate time series should control a single event while adapting to cross-coordinate dependence. We study filtered conformal ellipsoids: a frozen state-space filter emits a one-step predictive mean and covariance, and split-conformal calibration is applied to the resulting Mahalanobis scores. The filter is used to choose the ellipsoid shape; conformal calibration chooses the scalar radius, so the construction benefits from a learned predictive covariance without relying on Gaussian tail probabilities for coverage. The main difficulty is that filtered scores are dependent and learned recurrent filters need not contract in their raw hidden state; we therefore analyse contraction in an observable predictive-law quotient that identifies hidden states producing the same future sequence of emitted Gaussian laws. Under a stable Bayes Gaussian-projection filter, covariance bounds, and a finite-horizon observability Fisher condition, small excess Gaussian negative log-likelihood implies contraction of the learned emitted laws. Combined with a threshold-autocovariance envelope this yields a Chebyshev-type approximate coverage bound for filtered split-conformal prediction under dependence; a sharper Bernstein-type bound requires an additional geometric-mixing concentration assumption. Under Gaussian oracle realisability we also obtain a near-oracle log-volume comparison within the class of conditionally valid Gaussian ellipsoid rules. We instantiate the framework with a GCN-GRU filter with diagonal-plus-low-rank covariance. On moderate-size graph-native traffic benchmarks (METRLA-$20$ and PEMSBAY-$50$), the learned filter gives sharper at-target ellipsoids than static-covariance and non-filter baselines; at full-graph scale and on non-graph-native datasets, factor and copula baselines can be stronger.

11.
arXiv (CS.CL) 2026-06-24

Measuring User's Mental Models of Speech Translation in Human-AI Collaboration

Millions of people use machine translation (MT) tools daily, yet little is known about their perception of what systems can and cannot do. This paper studies users' mental models of speech translation systems through a new framework based on cross-lingual question answering, where users either accept MT output or request professional re-translation to answer questions based on the information presented in a foreign language. By analyzing user behavior and accuracy trends across varying translation qualities, we examine to what extent they can predict where the system is likely to be wrong, and how this mental model evolves. Users develop stronger mental models with practice, especially when they have some knowledge of the source language, primarily by relying on surface-level error cues. Moreover, providing speech transcriptions can help users develop better mental models. Our results show the promise of cross-lingual question answering as a downstream task for studying MT mental models and advancing our understanding of human-AI collaboration.

12.
arXiv (quant-ph) 2026-06-16

How Many Shots Are Enough for a Quantum Circuit?

arXiv:2606.16965v1 Announce Type: new Abstract: Quantum algorithms require repeated circuit executions, known as shots, to estimate output distributions accurately. Determining the minimal number of shots needed to meet a target accuracy is crucial to reduce costs and resource usage, especially on today's noisy and expensive quantum hardware. In this paper, we address the shot optimisation problem in a black-box setting, where no assumptions are made about the structure of the quantum circuit or the noise model of the backend. We introduce IncrementalExecution, a novel online framework that dynamically determines when to stop executing shots based on the principle of point of diminishing returns: the point at which additional shots no longer significantly alter the empirical distribution of a fixed circuit. The framework supports customisable policies for shot management, enabling flexible trade-offs between execution cost and result fidelity within static execution scenarios. We assess our proposal through an extensive experimental evaluation spanning 33,750 framework configurations across 180 unique static quantum circuit-backend combinations, for a total of 7.3M independent experiments. Unlike prior work that relies on problem-specific knowledge or algorithm-dependent assumptions (e.g., variational or adaptive workflows), our approach is applicable to a large set of static circuits and immediately deployable on current quantum cloud platforms.

13.
arXiv (CS.CV) 2026-06-12

Visual Place Recognition in Forests with Depth-Aware Distillation

Visual place recognition in natural forest environments remains challenging due to repetitive vegetation, weak structural cues, and significant appearance variation across traversals. To address this limitation, this paper proposes a lightweight depth-aware distillation framework that injects geometric cues into a DINOv2-based place recognition model, while maintaining its pre-trained descriptor space. Evaluated on the recent WildCross benchmark, the proposed approach yields gains over an appearance-only counterpart, providing robustness to appearance variations. These results demonstrate the importance of depth as a strong complementary modality for place recognition in natural environments and identify depth-aware distillation as a promising direction for more robust forest perception.

15.
arXiv (math.PR) 2026-06-11

On the spatio-temporal increments of nonlinear parabolic SPDEs and the open KPZ equation

arXiv:2508.05032v3 Announce Type: replace Abstract: We study spatio-temporal increments of the solutions to nonlinear parabolic SPDEs on a bounded interval with Dirichlet, Neumann, or Robin boundary conditions. We identify the exact local and uniform spatio-temporal moduli of continuity for the sample functions of the solutions. These moduli of continuity results imply the existence of random points in space-time at which spatio-temporal oscillations are exceptionally large. We also establish small-ball probability estimates and Chung-type laws of the iterated logarithm for spatio-temporal increments. Our method yields extension of some of these results to the open KPZ equation on the unit interval with inhomogeneous Neumann boundary conditions. Our key ingredients include new strong local non-determinism results for linear stochastic heat equation under various types of boundary conditions, and detailed estimates for the errors in linearization of spatio-temporal increments of the solution to the nonlinear equation.

16.
arXiv (CS.CV) 2026-06-15

Gaze Heads: How VLMs Look at What They Describe

How a vision-language model internally solves the task of describing an image is far from obvious. We find that the model develops a specific mechanism for this: a small set of attention heads in its language-model backbone, which we call gaze heads, whose attention tracks the image region the model is currently describing. We find them with a simple correlation score from a few forward passes, using comic strips as a controlled testbed where narrative order is laid out spatially. These gaze heads do not just track the image tokens being described: redirecting their attention to a chosen region forces the VLM to describe that region instead. A single attention-mask intervention on the top-100 gaze heads, fewer than 9% of all heads, steers the model's answer to any chosen comic panel at 83.1% accuracy, while the same intervention on random heads fails to redirect the answer, and intervening on all heads destroys generation. The same lever also extends to continuous control: switching the gaze target mid-generation makes the model wrap up its current panel description and move to the new one within a few tokens. Beyond comics, the same intervention redirects answers to chosen regions in natural COCO images. The mechanism further recurs across model sizes from 2B to 32B parameters and across other VLM architectures, although some frozen-encoder families show no comparable head set. More broadly, this shows that targeted edits identified through mechanistic analysis can serve as practical inference-time levers for steering multimodal model behavior, without any retraining. Our code, interactive demo, and datasets are available at https://gaze.baulab.info/

17.
arXiv (CS.LG) 2026-06-24

Managing Task Execution for Unknown Workloads in Batteryless IoT: A Hardware-Agnostic Evaluation

arXiv:2606.24340v1 Announce Type: new Abstract: In recent years, the Internet of Things (IoT) paradigm has been shifting toward batteryless, energy-harvesting architectures. Sustaining reliable operation in these systems requires intelligent management of highly volatile stored energy. As edge applications grow in complexity, traditional energy-aware schedulers struggle with unpredictable workloads due to their reliance on static execution thresholds or pre-measured, hardware-specific task profiles. To overcome this, we propose two novel, hardware-agnostic dynamic scheduling strategies treating applications as a "black box," requiring no prior energy information: a model-free Reinforcement Learning (RL) agent and an on-the-fly Approximated Prediction (AP) method. We evaluate these methods against an adaptive task rate approach (AsTAR) and optimized static thresholds using a custom-built, physically accurate simulation framework driven by real-world solar data and dynamic LoRa transmission profiles. Rather than claiming universal superiority, our analysis exposes the distinct operational trade-offs of each method: the AP approach delivers lightweight, near-oracle task throughput; the RL agent provides tunable survival-execution balancing; and AsTAR excels at execution pacing across long energy gaps. Finally, we demonstrate that while these advanced strategies provide critical resilience for severely constrained systems with small capacitors, devices with larger energy buffers can efficiently rely on simpler, less computationally expensive static policies.

18.
arXiv (math.PR) 2026-06-16

Pathwise structure of the three-dimensional attractive one-point interaction diffusion

Authors:

arXiv:2606.08008v2 Announce Type: replace Abstract: We study the pathwise behavior of the three-dimensional attractive one-point interaction diffusion whose law was constructed by Cranston, Koralov, Molchanov and Vainberg, corresponding to the singular Schrödinger Hamiltonian \[ \frac12\Delta+\frac{\beta}{2}\delta_0, \qquad \beta>0. \] We identify a local stochastic differential equation satisfied by the process away from the origin and use it to construct a natural submartingale whose increasing component in the Doob-Meyer decomposition is supported on the set of times at which the process visits the origin. In particular, we show that the process visits the origin with positive probability and that the law conditioned on avoiding the origin is three-dimensional Wiener measure.

19.
arXiv (CS.AI) 2026-06-18

Caring Without Feeling: Affective Dynamics as the Control Layer of Human-AI Agent Collaboration

arXiv:2606.18259v1 Announce Type: cross Abstract: AI agents that plan, retain memory across sessions, invoke external tools and act with partial autonomy are transforming human–AI collaboration. Research on affective computing, simulated empathy in large language models, trust in automation and AI safety has illuminated important design principles, yet these literatures remain fragmented. No integrated account explains how affective cues operate within agentic collaboration – settings in which humans delegate, monitor and correct consequential tasks. This Review synthesises computational and interactional mechanisms of affective dynamics: the processes through which affective cues, emotion-like behaviour and perceived agent affect shape trust calibration, delegation decisions, error correction, dependence and governance. We trace how model-generated affective signals enter interaction loops that govern reliance, repair and oversight, and propose a framework that treats affect not as an internal property of AI but as a coordination layer through which humans and agents negotiate capability, uncertainty and responsibility. The framework provides a foundation for calibrated measurement, purposeful design and informed governance.

20.
arXiv (CS.CL) 2026-06-19

The Voice Behind the Words: Quantifying Intersectional Bias in SpeechLLMs

Speech Large Language Models (SpeechLLMs) process spoken input directly, retaining cues such as accent and perceived gender that were previously removed in cascaded pipelines. This introduces speaker identity dependent variation in responses. We present a large-scale intersectional evaluation of accent and gender bias in three SpeechLLMs using 2,880 controlled interactions across six English accents and two gender presentations, keeping linguistic content constant through voice cloning. Using pointwise LLM-judge ratings, pairwise comparisons, and Best-Worst Scaling with human validation, we detect recurring directional disparities. Eastern European-accented speech receives lower helpfulness scores, particularly for female-presenting voices. Responses remain polite but differ in helpfulness. While LLM judges capture the directional trend of these biases, human evaluators exhibit significantly higher sensitivity, showing stronger accent-level contrasts.

21.
arXiv (math.PR) 2026-06-18

Finite free perpetuities

arXiv:2606.19115v1 Announce Type: new Abstract: We introduce and study finite free perpetuities, defined as monic polynomial solutions of degree $n$ to the affine fixed-point equation \[ p(z) = \mathbb{E}\!\left[ A^{n}\,p\!\left(\frac{z-B}{A}\right)\mathbf{1}_{\{A\neq0\}} \right] + \mathbb{E}\!\left[ (z-B)^n\mathbf{1}_{\{A=0\}} \right], \] where $A$ and $B$ are complex-valued random variables with finite moments up to order $n$. Equivalently, if $p(z)=\mathbb{E}[(z-X)^n]$, then $p$ encodes a truncated moment version of the classical perpetuity equation $X\stackrel{d}{=}AX+B$ with $X$ and $(A,B)$ independent. This places finite free perpetuities between classical perpetuities and free-probabilistic fixed-point laws. We prove existence and uniqueness under weak conditions, and we identify a broad class of admissible pairs $(A,B)$ for which the resulting polynomial has only real, nonnegative zeros. Our approach uses finite free additive and multiplicative convolutions together with a probabilistic representation via the $U$-transform. As a motivating example, we exhibit an explicit family of finite free perpetuities expressed in terms of Jacobi polynomials and show that their empirical root distributions converge to a free-beta-prime law. More generally, for admissible sequences of parameters, we prove weak convergence of the empirical root distributions of finite free perpetuities to the law of a free perpetuity characterized by the corresponding free fixed-point equation. This yields a finite-degree polynomial model approximating free perpetuities and clarifies the connection between classical affine recursions, finite free convolutions, and free probability.

22.
arXiv (CS.LG) 2026-06-19

SEAGAN: domain-Specific and Edge-Aware Graph Attention Network for Dynamic Plant Processes

arXiv:2606.19623v1 Announce Type: new Abstract: Graph neural networks (GNNs) provide a flexible framework for learning from scientific data linked through physical, biological, or functional relationships. One promising domain is plant physiology, where measured responses often arise from multiple interacting processes whose exact separation remains difficult even with manual intervention. In plant physiology, a key example is the A-Ci curve, which relates net CO2 assimilation rate (Anet) to leaf intercellular CO2 concentration (Ci) and is used to estimate photosynthetic parameters in leaf and crop-canopy models. However, reliable estimation requires identifying the active biochemical limitation state at each curve point, which remains a major source of uncertainty. Here, we formulate limitation-state identification along A-Ci curves as a graph-based node classification problem, with curve points as nodes. Domain-specific graph representations are created using distance-based k-nearest-neighbor (kNN) and auxiliary-signal-guided (ASG) connectivity, with edge attributes encoding pairwise relations. The framework was evaluated against conventional learning baselines, graph-based architectures, and an automated fitting-based benchmark. Results on a large synthetic dataset with known ground-truth limitation states show that graph-based models improve classification, particularly near biochemical transition regions. The best-performing configuration, SEAGAN (domain-Specific and Edge-Aware Graph Attention Network for Dynamic Plant Processes), integrates process-aware node features, edge attributes, kNN connectivity, and graph attention with weighted cross-entropy loss, achieving an F1-score of 0.857 and an accuracy of 0.882. The results show that representing A-Ci curves as graphs improves biochemical limitation-state analysis, with edge-aware attention over local kNN neighborhoods providing the most effective strategy.

23.
arXiv (CS.AI) 2026-06-17

ASTEROID: A Spatiotemporal Information Transformer for Forecasting Multi-Step Time Series of Molecular Dynamics

arXiv:2606.17668v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulation is computationally demanding, particularly for large-scale systems requiring long-term analysis. Accurate forecast of the outcomes of a MD simulation is not only an attractive scientific challenge but also has substantial practical value. In this work, we developed a data-driven framework, termed ASTEROID (Advanced Spatiotemporal TransformER fOr Inferring Dynamics), that can directly predict multi-step atomic coordinates, avoiding conventional iterative integration. For this purpose, our ASTEROID reformulates MD trajectories as high-dimensional spatiotemporal sequences and integrates the Spatiotemporal Information (STI) Transformation equation into a Transformer architecture. The core innovation of ASTEROID lies in its ability to model multiscale spatiotemporal dependencies. In particular, for spatial dependencies, a local-global self-attention mechanism captures both short- and long-range interactions. For temporal dependencies, an encoder-decoder structure integrates global context with autoregressive forecasting. ASTEROID was evaluated on several quantum-mechanics derived molecular datasets. Our results indicate that ASTEROID achieved not only a higher level of accuracy in multi-step prediction than existing methods on various benchmarks, but also significantly reduced computational cost of conventional MD simulation. Moreover, the model supports iterative multi-step forecasting over an extended time scale. This work establishes a robust and generalizable data-driven paradigm for accelerating MD simulations.

24.
arXiv (CS.LG) 2026-06-24

Learning the Koopman Operator using Attention Free Transformers

arXiv:2606.23957v1 Announce Type: new Abstract: Learning Koopman operators with autoencoders enables linear prediction in a latent space, but long-horizon rollouts often drift off the learned manifold, leading to phase and amplitude errors on systems with switching, continuous spectra, or strong transients. We introduce two complementary components that make Koopman predictors more robust. First, we add an attention-free latent memory (AFT) block that aggregates a short window of past latents to produce a corrected latent before each Koopman update. Unlike multi-head attention, AFT operates in linear time and adds only $\approx$30k parameters ($3d^2 + T^2$, fewer than matched multi-head attention), yet captures the local temporal context needed to suppress error divergence. Second, we propose dynamic re-encoding: lightweight, online change-point triggers (EWMA, CUSUM, and sequential two-sample tests) that detect latent drift and project predictions back onto the autoencoder manifold. Across three benchmark systems – Duffing oscillator, Repressilator, IRMA – our model consistently reduces error accumulation compared to a Koopman autoencoder and matched-capacity multi-head attention. We also compare against GRU and Transformer autoencoders, evaluated both from initial conditions and with a 50-step context, and find that Koopman+AFT (with optional re-encoding) attains markedly lower long-horizon error while maintaining lower inference latency. We report improvements over horizons up to 1000 steps, together with ablations over trigger policies. The result is a fast, compact predictor that stays on the learned manifold over long horizons.

25.
arXiv (CS.LG) 2026-06-16

Finite-Width Neural Tangent Kernels from Feynman Diagrams

arXiv:2508.11522v4 Announce Type: replace Abstract: Neural tangent kernels (NTKs) are a powerful tool for analyzing deep, non-linear neural networks. In the infinite-width limit, NTKs can easily be computed for most common architectures, yielding full analytic control over the training dynamics. However, at infinite width, important properties of training such as NTK evolution or feature learning are absent. Nevertheless, finite width effects can be included by computing corrections to the Gaussian statistics at infinite width. We introduce Feynman diagrams for computing finite-width corrections to NTK statistics. These dramatically simplify the necessary algebraic manipulations and enable the computation of layer-wise recursion relations for arbitrary statistics involving preactivations, NTKs and certain higher-derivative tensors (dNTK and ddNTK) required to predict the training dynamics at leading order. We demonstrate the feasibility of our framework by extending stability results for deep networks from preactivations to NTKs and proving the absence of finite-width corrections for scale-invariant nonlinearities such as ReLU on the diagonal of the Gram matrix of the NTK. We numerically implement the complete set of equations necessary to compute the first-order corrections for arbitrary inputs and demonstrate that the results follow the statistics of sampled neural networks for widths $n\gtrsim 20$.