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Science Journals

Peer-reviewade publikationer — 55347 artiklar

Where Hindsight Credit Can Reside: A Signed-Capacity View of Token Updates in RLVR
arXiv:2604.11056v2 Announce Type: replace Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) improves the reasoning ability of Large Language Models (LLMs), but sparse outcome rewards make token-level credit assignment difficult. We study token-level credit as a reward-conditioned shift from the behavior policy to a hindsight posterior. In autoregressive RLVR, this shift can be expressed through Conditional Mutual Information (CMI), which shows that token entropy upper-bounds possible hindsight credit. Entropy, however, indicates capacity rather than update direction, so we introduce the Four Quadrant Decomposition to separate updates by reward polarity and token entropy. Controlled interventions show that these two factors jointly shape token updates. Sustained reasoning gains concentrate in signed high-entropy quadrants, whereas low-entropy updates saturate quickly. Based on this analysis, we propose Hindsight-Aware Policy Optimization (HAPO), a sign-preserving modification to GRPO that performs capacity-guided advantage reallocation. Experiments on mathematical reasoning benchmarks in two model settings show that HAPO achieves competitive performance among entropy-aware baselines.
Degradation-Consistent Paired Training for Robust AI-Generated Image Detection
arXiv:2604.10102v2 Announce Type: replace Abstract: AI-generated image detectors suffer significant performance degradation under real-world image corruptions such as JPEG compression, Gaussian blur, and resolution downsampling. We observe that state-of-the-art methods, including B-Free, treat degradation robustness as a byproduct of data augmentation rather than an explicit training objective. In this work, we propose Degradation-Consistent Paired Training (DCPT), a simple yet effective training strategy that explicitly enforces robustness through paired consistency constraints. For each training image, we construct a clean view and a degraded view, then impose two constraints: a feature consistency loss that minimizes the cosine distance between clean and degraded representations, and a prediction consistency loss based on symmetric KL divergence that aligns output distributions across views. DCPT adds zero additional parameters and zero inference overhead. Experiments on the Synthbuster benchmark (9 generators, 8 degradation conditions) demonstrate that DCPT improves the degraded-condition average accuracy by 9.1 percentage points compared to an identical baseline without paired training, while sacrificing only 0.9% clean accuracy. The improvement is most pronounced under JPEG compression (+15.7% to +17.9%). Ablation further reveals that adding architectural components leads to overfitting on limited training data, confirming that training objective improvement is more effective than architectural augmentation for degradation robustness.
ASTRA: Adaptive Semantic Tree Reasoning Architecture for Complex Table Question Answering
arXiv:2604.08999v2 Announce Type: replace Abstract: Table serialization remains a critical bottleneck for Large Language Models (LLMs) in complex table question answering, hindered by challenges such as structural neglect, representation gaps, and reasoning opacity. Existing serialization methods fail to capture explicit hierarchies and lack schema flexibility, while current tree-based approaches suffer from limited semantic adaptability. To address these limitations, we propose ASTRA (Adaptive Semantic Tree Reasoning Architecture) including two main modules, AdaSTR and DuTR. First, we introduce AdaSTR, which leverages the global semantic awareness of LLMs to reconstruct tables into Logical Semantic Trees. This serialization explicitly models hierarchical dependencies and employs an adaptive mechanism to optimize construction strategies based on table scale. Second, building on this structure, we present DuTR, a dual-mode reasoning framework that integrates tree-search-based textual navigation for linguistic alignment and symbolic code execution for precise verification. Experiments on complex table benchmarks demonstrate that our method achieves state-of-the-art (SOTA) performance.
Do GPUs Really Need New Tabular File Formats?
arXiv:2602.17335v3 Announce Type: replace Abstract: Parquet is the de facto columnar file format in modern analytical systems, yet its configuration guidelines have largely been shaped by CPU-centric execution models. As GPU-accelerated data processing becomes increasingly prevalent, Parquet files generated with CPU-oriented defaults can severely underutilize GPU parallelism, turning GPU scans into a performance bottleneck. In this work, we systematically study how Parquet configurations affect GPU scan performance. We show that Parquet's poor GPU performance is not inherent to the format itself but rather a consequence of suboptimal configuration choices. By applying GPU-aware configurations, we increase effective read bandwidth up to 125 GB/s without modifying the Parquet specification.
MVISTA-4D: View-Consistent 4D World Model with Test-Time Action Inference for Robotic Manipulation
arXiv:2602.09878v2 Announce Type: replace Abstract: World-model-based imagine-then-act becomes a promising paradigm for robotic manipulation, yet existing approaches typically support either purely image-based forecasting or reasoning over partial 3D geometry, limiting their ability to predict complete 4D scene dynamics. This work proposes a novel embodied 4D world model that enables geometrically consistent, arbitrary-view RGBD generation: given only a single-view RGBD observation as input, the model imagines the remaining viewpoints, which can then be back-projected and fused to assemble a more complete 3D structure across time. To efficiently learn the multi-view, cross-modality generation, we explicitly design cross-view and cross-modality feature fusion that jointly encourage consistency between RGB and depth and enforce geometric alignment across views. Beyond prediction, converting generated futures into actions is often handled by inverse dynamics, which is ill-posed because multiple actions can explain the same transition. We address this with a test-time action optimization strategy that backpropagates through the generative model to infer a trajectory-level latent best matching the predicted future, and a residual inverse dynamics model that turns this trajectory prior into accurate executable actions. Experiments on three datasets demonstrate strong performance on both 4D scene generation and downstream manipulation, and ablations provide practical insights into the key design choices.
DIANOIA: Diagnostic Decomposition and Joint Optimization for Multi-Agent Reasoning
arXiv:2602.08586v3 Announce Type: replace Abstract: Multi-agent LLM systems consistently outperform single-agent baselines, yet practitioners still cannot predict which design works for a new task or diagnose why one fails. We argue this gap persists largely because the field lacks a diagnostic framework with measurable primitives and testable predictions. We introduce \textbf{DIANOIA}, a three-channel decomposition of multi-agent reasoning gain into coverage, fidelity, and synthesis, each of which is empirically measurable. From this decomposition, we derive a diagnostic protocol that identifies the bottleneck channels for any given task. We instantiate the protocol as a multi-agent system whose three components mirror the channels: role-diverse proposers for coverage, execution-grounded verification for fidelity, and iterative synthesis. On GSM8K, AIME-2025, MBPP, and BFCL-SP, our method outperforms strong multi-agent baselines under matched token budgets, dominating the Pareto frontier on MBPP at $\sim$$5{\times}$ token savings and reaching $+4.6$pp at matched cost. On every benchmark, the protocol picks the right bottleneck channels; the system we built around it leads across models. We release code, adapters, diagnostic metrics, and a Claude Code skill at https://anonymous.4open.science/r/DIANOIA4MAS. DIANOIA reframes multi-agent design as channel-aware resource allocation: diagnose which channel is the bottleneck for your task, then invest tokens accordingly.
Shallow ReLU$^s$ Networks in $L^p$-Type and Sobolev Spaces: Approximation and Path-Norm Controlled Generalization
arXiv:2605.18468v4 Announce Type: replace-cross Abstract: This paper studies approximation by shallow ReLU$^s$ networks, $\sigma_s(t)=\max\{0,t\}^s$, together with their generalization behavior under $\ell_1$ path-norm control. For the $L^p$-type integral spaces $\widetilde{\mathcal{F}}_{p,\tau_d,s}$, $1\le p\le2$, spherical harmonic analysis yields approximation bounds for shallow networks. In particular, when $\tau_d$ is the uniform measure and $1\le p<2$, the approximation rate is $O\!\left(m^{-\frac{p(2s+2d+1)-2d}{2dp}}\right)$ for $1\le p\le p^*$ and $O\!\left(m^{-\frac{p(4s+3d-1)-2d+2}{4dp}}\right)$ for $p^*<p<2$, where $p^*=\frac{2d+2}{d+3}$. Approximation bounds for Sobolev spaces $W^{\alpha,p}$, $1\le p<2$, are obtained through embeddings into spectral Barron spaces. For nonparametric regression with sub-Gaussian noise, path-norm-regularized shallow ReLU$^s$ networks achieve minimax-optimal rates $O\!\left(n^{-\frac{d+2s+1}{2d+2s+1}}\log n\right)$ over $\mathscr{B}_s$ and $O\!\left(n^{-\frac{2\alpha}{2\alpha+d}}\log n\right)$ over $W^{\alpha,\infty}$, with matching lower bounds up to logarithmic factors.
Parity violation in atoms: neutrino-mediated long range forces and finite nuclear size
arXiv:2605.17059v2 Announce Type: replace-cross Abstract: We consider neutral-current parity-violating interactions in an atom mediated by the exchange of a neutrino-antineutrino pair. We explicitly account for the nuclear finite size encoded in the nuclear form factor. Based on its general properties, we derive an effective neutrino-mediated potential and determine its properties at short and long distances. We demonstrate that, once the form factor properties are correctly accounted for, the range of such an effective potential corresponds to the nuclear radius, removing any sensitivity to shorter-distance contributions. This potential changes sign over the atom's volume, so that the correction to the effective nuclear weak charge induced by this interaction is tiny and does not alter the interpretation of atomic parity violation experiments.
Stochastic Non-Smooth Convex Optimization with Unbounded Gradients
arXiv:2605.15522v2 Announce Type: replace-cross Abstract: Much of the existing theory on first-order non-smooth optimization is built on a restrictive assumption that the gradients of the objective function are uniformly bounded. We introduce a much more realistic class of generalized Lipschitz functions, where the gradient norms are bounded by an affine function of the optimality gap. We then ask a natural question: what algorithm achieves the best global convergence rates for solving convex stochastic generalized Lipschitz optimization problems? To address this, we develop a new convergence analysis for several existing algorithms and find that AdamW with clipped updates, provably outperforms other popular stochastic optimization methods, such as SGD and AdaGrad. Moreover, our analysis establishes the critical role of AdamW's exponentially weighted gradient accumulation, as opposed to simple averaging. We further show that clipped AdamW is universal and achieves improved rates under the popular generalized smoothness assumption, analyze the convergence of clipped AdamW with diagonal and matrix preconditioners, and extend our results to the quasar-convex setting.
Residual-based attack detection in cyber-physical systems: an optimal transport viewpoint
arXiv:2603.16588v2 Announce Type: replace-cross Abstract: This letter presents an optimal-transport (OT)-driven, distributionally robust attack detection algorithm, OT-DETECT, for cyber-physical systems (CPS) modeled as partially observed linear stochastic systems. The underlying detection problem is formulated as a minmax optimization problem using 1-Wasserstein ambiguity sets constructed from observer residuals under both the nominal (attack-free) and attacked regimes, and show that the minmax detection problem can be reduced to a finite-dimensional linear program for computing the worst-case distribution (WCD). Off-support residuals are handled via a kernel-smoothed score function that drives a CUSUM procedure for sequential detection. We also establish a non-asymptotic tail bound on the false-positive error of the CUSUM statistic under the nominal (attack-free) condition, under mild assumptions. Numerical illustrations are provided to evaluate the robustness properties of OT-DETECT.
Step-Size Stability in Stochastic Optimization: A Theoretical Perspective
arXiv:2602.09842v2 Announce Type: replace-cross Abstract: We present a theoretical analysis of stochastic optimization methods in terms of their sensitivity with respect to the step size. We identify a key quantity that, for each method, describes how the performance degrades as the step size becomes too large. For convex problems, we show that this quantity directly impacts the suboptimality bound of the method. Most importantly, our analysis provides direct theoretical evidence that adaptive step-size methods, such as SPS or NGN, are more robust than SGD. This allows us to quantify the advantage of these adaptive methods beyond empirical evaluation. Finally, we show through experiments that our theoretical bound qualitatively mirrors the actual performance as a function of the step size, even for non-convex problems.
A first-order method for constrained nonconvex-nonconcave minimax optimization
arXiv:2510.01168v3 Announce Type: replace-cross Abstract: We study a class of constrained nonconvex-nonconcave minimax optimization problems in which the inner maximization involves potentially complex constraints. Under the assumption that the inner problem of a novel lifted minimax reformulation satisfies a local Kurdyka-Lojasiewicz (KL) condition, we show that the maximal function of the original problem enjoys a local generalized H\"{o}lder smoothness property. We also propose a sequential convex programming (SCP) method for solving constrained optimization problems and establish its convergence rate under a local KL condition. Leveraging these results, we develop an inexact proximal gradient method for the original minimax problem, where the inexact gradient of the maximal function is computed via the SCP method applied to a locally KL-structured subproblem. Finally, we establish complexity guarantees for the proposed method in computing an approximate stationary point of the original minimax problem.
HAMSTER: Hyperspectral Albedo Maps dataset with high Spatial and TEmporal Resolution
arXiv:2407.18030v2 Announce Type: replace-cross Abstract: Surface albedo is an important parameter in radiative-transfer simulations of the Earth's system as it is fundamental for correctly calculating the energy budget of the planet. The Moderate Resolution Imaging Spectroradiometer (MODIS) instruments on NASA's Terra and Aqua satellites continuously monitor daily and yearly changes in reflection at the planetary surface. The MODIS Surface Reflectance Black-Sky Albedo dataset (version 6.1 of MCD43D) provides detailed albedo maps for seven spectral bands in the visible and near-infrared range. These albedo maps allow us to classify different Lambertian surface types and their seasonal and yearly variability and change, albeit only into seven spectral bands. However, a complete set of albedo maps covering the entire wavelength range is required to simulate radiance spectra and correctly retrieve atmospheric and cloud properties from remote sensing observations of the Earth. We use a principal component analysis (PCA) regression algorithm to generate hyperspectral albedo maps of the Earth. By combining different datasets containing laboratory measurements of hyperspectral reflectance for various dry soils, vegetation surfaces, and mixtures of both, we reconstruct albedo maps across the entire wavelength range from 400 to 2500 nm. The PCA method is trained with a 10-year average of MODIS data for each day of the year. We obtain hyperspectral albedo maps with a spatial resolution of 0.05{\deg} in latitude and longitude, a spectral resolution of 10 nm, and a temporal resolution of 1 d (day). Using the hyperspectral albedo maps, we estimate the spectral profiles of different land surfaces, such as forests, deserts, cities, and icy surfaces, and study their seasonal variability. These albedo maps will enable us to refine calculations of the Earth's energy budget and its seasonal variability and improve climate simulations.
Automated Benchmark Auditing for AI Agents and Large Language Models
arXiv:2605.26079v2 Announce Type: replace Abstract: Modern AI benchmarks operate at a complexity that outpaces traditional verification methods. Tasks authored by domain experts often contain implicit assumptions, incomplete environment specifications, and brittle evaluation logic that human annotation cannot reliably catch. We introduce Auto Benchmark Audit (ABA), an agentic framework that systematically audits individual benchmark tasks, uncovering issues such as hidden environment dependencies, specification gaps, and limited grading logic. We run ABA on a collection of frontier LLM benchmarks and previous NeurIPS publications, totaling 168 benchmarks across nine domains. Across this corpus, ABA identifies critical issues including ambiguous task design, execution environment conflicts, and incorrect ground truths in over 25.7% of the evaluated tasks. The precision of these automated audits is validated by expert review and independent third-party reports such as upstream PRs. Crucially, we demonstrate that these problematic tasks severely distorts capability assessments for agents and LLMs: filtering out these tasks with issues shifts model rankings and increases average performance on SWE-bench Verified and Terminal-Bench 2 by 9.9% and 9.6%, respectively. We release the agentic tool and all task annotations to support the future development of frontier benchmarks.
Trait-Aware Policy Optimization for Autoregressive Multi-Trait Essay Scoring
arXiv:2605.25731v2 Announce Type: replace Abstract: Multi-trait essay scoring aims to provide fine-grained evaluation of writing quality across multiple dimensions. However, how to effectively post-train autoregressive scoring models remains underexplored. In this paper, we propose Trait-Aware Policy Optimization (TAPO), a post-training framework tailored to autoregressive multi-trait scoring. Our method decomposes rewards along both the sample and trait dimensions, combining global scoring consistency, trait-level accuracy, format validity, and inter-trait dependency preservation. In addition, we use enhanced prompts throughout training by incorporating original prompt texts and trait descriptions, providing richer semantic information for trait-specific score generation. Experiments across multiple backbone models show that our method consistently improves multi-trait scoring performance over supervised fine-tuning and scalar-reward optimization baselines, demonstrating the effectiveness and transferability of trait-aware post-training for essay scoring.
Anchored Decoding: Provably Reducing Copyright Risk for Any Language Model
arXiv:2602.07120v2 Announce Type: replace Abstract: Language models (LMs) tend to memorize portions of their training data and emit verbatim spans. When the underlying sources are sensitive or copyright-protected, such reproduction raises issues of consent and compensation for creators and compliance risks for developers. We propose Anchored Decoding, a plug-and-play inference-time method for suppressing verbatim copying: it enables decoding from any risky LM trained on mixed-license data by keeping generation in bounded proximity to a permissively trained safe LM. Anchored Decoding adaptively allocates a user-chosen information budget over the generation trajectory and enforces per-step constraints that yield a sequence-level guarantee, enabling a tunable risk-utility trade-off. To make Anchored Decoding practically useful, we introduce a new permissively trained safe model (TinyComma 1.8B), as well as Anchored$_{\mathrm{Byte}}$ Decoding, a byte-level variant of our method that enables cross-vocabulary fusion via the ByteSampler framework (Hayase et al., 2025). Across six model pairs on long-form metrics for copying risk and utility, Anchored and Anchored$_{\mathrm{Byte}}$ Decoding define a new Pareto frontier, preserving near-original fluency and factuality while closing up to 75% of the measurable copying gap between the risky baseline and a safe reference, at a modest inference overhead.
Atom-level Protein Representation Learning Improves Protein Structure Prediction
arXiv:2605.22133v3 Announce Type: replace-cross Abstract: Recent advances in generative modeling show that pretrained representations can improve generation as conditioning features or alignment targets. Motivated by this, we study protein representations for predicting structures beyond conventional function annotation. We propose TriProRep, a structure-aware pretraining method that jointly models three aligned residue-level views: amino-acid identity, backbone geometry, and local full-atom geometry, discretely encoded via VQ-VAE tokenizers. By pretraining to recover original tokens from generator-corrupted views, TriProRep learns to distinguish plausible but incorrect cross-view augmentations from the original protein. We further introduce RepSP, a benchmark for evaluating protein representations in structure-predictive settings. RepSP tests three uses of representations: homodimer co-folding from apo-chain representations, residue-level prediction of homodimer-derived interaction properties, and representation-aligned monomer structure prediction. Across these tasks, TriProRep improves over sequence-only and prior structure-aware representation models, while maintaining competitive performance on conventional benchmarks.
MuNet: A Mutualistic Network for Joint 3D Human Mesh Recovery and 3D Clothed Human Reconstruction from Single Images
arXiv:2605.25861v2 Announce Type: replace Abstract: 3D human mesh recovery and 3D clothed human reconstruction are inherently related, yet they have long been studied in isolation, thereby overlooking the potential gains of joint optimization. To overcome this limitation, we propose to address these two tasks within a unified framework, which allows their mutual dependencies to be effectively exploited. Building on this idea, we propose MuNet, a mutualistic network for joint 3D human mesh recovery and 3D clothed human reconstruction from single images. First, we adopt 2-manifold graphs as a unified representation for all 3D models, enabling consistent modeling across 3D human mesh recovery and clothed human reconstruction. Second, we design an end-to-end graph convolutional network that progressively deforms an initial graph into a 3D human mesh and refines it into a detailed 3D clothed human model. Third, we introduce a mutualistic mechanism that allows reciprocal interaction between the two tasks {during training}, where 3D human mesh recovery provides guidance for 3D clothed human reconstruction, and reconstruction feedback refines the 3D human mesh recovery. We extensively evaluate MuNet on six benchmark datasets for 3D human mesh recovery and 3D clothed human reconstruction, including Human3.6M, 3DPW, MPI-INF-3DHP, THuman2.0, CAPE, and RenderPeople. Experimental results demonstrate that MuNet achieves state-of-the-art performance on both tasks across all datasets. The code of MuNet is released for research purposes at https://github.com/starVisionTeam/MuNet.
Position: Machine Learning for Heart Transplant Allocation Policy Optimization Should Account for Incentives
arXiv:2602.04990v3 Announce Type: replace Abstract: The allocation of scarce donor organs constitutes one of the most consequential algorithmic challenges in healthcare. While the field is rapidly transitioning from rigid, rule-based systems to machine learning and data-driven optimization, we argue that current approaches often overlook a fundamental barrier: incentives. In this position paper, we highlight that organ allocation is not merely an optimization problem, but rather a complex game involving organ procurement organizations, transplant centers, clinicians, patients, and regulators. Focusing on US adult heart transplant allocation, we identify critical incentive misalignments across the decision-making pipeline, and present data showing that they are having adverse consequences today. Our main position is that the next generation of allocation policies should be incentive aware. We outline a research agenda for the machine learning community, calling for the integration of mechanism design, strategic classification, causal inference, and social choice to ensure robustness, efficiency, fairness, and trust in the face of strategic behavior from the various constituent groups.
Emergent Causal-Geometric Dynamics Across Depth in Large Language Models
arXiv:2602.04931v2 Announce Type: replace Abstract: Geometric analyses of large language model (LLM) representations reveal structured variation across depth but remain fundamentally correlational with respect to token prediction formation. Meanwhile, causal interventions expose depth-dependent efficacy profiles without a unifying account of their representational dynamics. A complete account of LLM function requires explaining how representational structure evolves across depth to causally produce predictions. We synthesize these perspectives by combining geometric analysis with mechanistic interventions, explicitly centralizing depth-wise dynamics as the organizing axis for interpreting LLM function. In decoder-only LLMs, we identify a sharp transition from context-processing to prediction-forming computation, accompanied by a more gradual reorganization of representational geometry across layers. This synthesis reveals a late-layer geometric code in which angular structure parameterizes next-token distributional similarity and enables selective causal control over predictions, while representation norms encode information largely decoupled from prediction. Together, our results provide a synthesis of causal and geometric perspectives, yielding a mechanistic account of how control-relevant geometric dynamics across depth transform context into prediction in language models. This perspective reconciles previously puzzling findings and implies that layer-wise function cannot be understood or effectively intervened upon in isolation, but only within the emergent global dynamical structure of the network.
AgentAtlas: Beyond Outcome Leaderboards for LLM Agents
arXiv:2605.20530v2 Announce Type: replace Abstract: Large language model agents now act on codebases, browsers, operating systems, calendars, files, and tool ecosystems, but their evaluations often collapse behavior into final task success. AgentAtlas reframes agent evaluation as a diagnostic vocabulary and audit protocol for separating outcome success from control-decision quality and trajectory quality. The paper contributes: (i) a six-state control-decision taxonomy (Act / Ask / Refuse / Stop / Confirm / Recover); (ii) a trajectory-failure vocabulary with primary error source and downstream impact; (iii) a 0/1/2 benchmark-coverage audit over fifteen agent benchmarks; and (iv) an illustrative protocol study on a synthetic 1,342-item set evaluated with eight models under taxonomy-aware and taxonomy-blind prompt formats. The synthetic demonstration is not a public benchmark release and should not be read as a definitive model comparison. Instead, it illustrates two measurement risks: mapped label agreement can change substantially when the explicit label menu is removed, and axis choice can change apparent rankings. AgentAtlas is intended to help benchmark designers state what behavior they cover, and to help evaluators diagnose failures that outcome-only leaderboards hide.
Uncertainty-aware Machine Learning Interatomic Potentials via Learned Functional Perturbations
arXiv:2605.19939v2 Announce Type: replace Abstract: Machine Learning Interatomic Potentials (MLIPs) achieve near ab initio accuracy at a fraction of the cost of quantum-mechanical simulations, yet they remain prone to silent failures on out-of-distribution configurations, making principled uncertainty quantification (UQ) essential for error-aware simulations and active learning. Existing non-ensemble UQ methods for MLIPs rely either on variational inference or on parametric distributional assumptions, both of which add architectural complexity and hyper-parameters that must be tuned per task. Inspired by recent advances in probabilistic weather forecasting, we propose a simpler alternative: turn a deterministic MLIP into a probabilistic one through learned functional perturbations and finetune it end-to-end with the Continuous Ranked Probability Score (CRPS), a proper scoring rule. We validate the approach with an equivariant GNN (P-EGNN) trained from scratch and by finetuning the foundation model the Orb-v3 for silica. On the N-body charged particle benchmark, P-EGNN improves CRPS over the state-of-the-art Bayesian MLIP method BLIP by 19-32% across all training sizes; on silica, P-Orb raises the Spearman correlation between predicted uncertainty and actual error from 0.75 (BLIP-Orb) to 0.84.
Categorification of Chemical Reactions: a bottom-up tower from stoichiometry to quantum structure
arXiv:2605.14974v2 Announce Type: replace Abstract: Chemistry's rules carry exceptions: the octet rule, Hess's Law, detailed balance, orbital symmetry selection rules, all with disclaimers memorised separately. Their cause: a question from a richer structural level posed in the vocabulary of a simpler one, i.e. level incompleteness. This monograph makes the levels explicit, constructing a canonical tower of nine categorical levels from stoichiometry through thermochemistry, equilibrium, kinetics, electron-pushing mechanisms, stereochemistry, potential energy surfaces, and electronic structure to all-particle quantum mechanics. Each level emerges from pairs of reactions distinct yet indistinguishable at the previous level; the minimal extension resolving each ambiguity is provably unique, certified by a non-trivial cokernel in an automorphism exact sequence, and recovers Feinberg's deficiency theorems as homological corollaries. A perpendicular dimension: every ML model for chemistry (yield predictors, neural kinetic networks, equivariant force fields, learned wavefunctions) is a morphism in the Para-enrichment of one tower level, with equivariance and thermodynamic consistency as universal properties. Three incompleteness results (Eyring, Wegscheider, topological output gaps) apply to the current literature. The framework descends to code: an operational functor from a Para-enriched product of the first four levels into the Kleisli category of the probabilistic sub-monad of Haskell IO, instantiated as a simulator of the Briggs-Rauscher oscillating reaction: the first Kleisli semantics of Gillespie's next-reaction method and first Para application outside ML. The passage to all-particle quantum mechanics, Born-Oppenheimer as the classical limit of a continuous field of C*-algebras, remains the deepest open construction; four candidate conjectures including Woolley-Primas have obstructions the framework makes specific.
VT-Bench: A Unified Benchmark for Visual-Tabular Multi-Modal Learning
arXiv:2605.08146v3 Announce Type: replace Abstract: Multi-model learning has attracted great attention in visual-text tasks. However, visual-tabular data, which plays a pivotal role in high-stakes domains like healthcare and industry, remains underexplored. In this paper, we introduce \textit{VT-Bench}, the first unified benchmark for standardizing vision-tabular discriminative prediction and generative reasoning tasks. VT-Bench aggregates 14 datasets across 9 domains (medical-centric, while covering pets, media, and transportation) with over 756K samples. We evaluate 23 representative models, including unimodal experts, specialized visual-tabular models, general-purpose vision-language models (VLMs), and tool-augmented methods, highlighting substantial challenges of visual-tabular learning. We believe VT-Bench will stimulate the community to build more powerful multi-modal vision-tabular foundation models. Benchmark: https://github.com/Ziyi-Jia990/VT-Bench
UniPCB: A Generation-Assisted Detection Framework for PCB Defect Inspection
arXiv:2605.04635v3 Announce Type: replace Abstract: In the Industrial Internet of Things (IIoT), enabling intelligent, real-time Printed Circuit Board (PCB) defect inspection is critical for ensuring product reliability. However, existing IIoT-based visual inspection systems face two compounding challenges: scarce and imbalanced defect samples that limit model training, and insufficient feature representation under complex circuit backgrounds. Existing generation methods rely on single-modality conditions with coarse structural control, while detection methods improve architectures without addressing the data bottleneck. To resolve both challenges jointly, we propose a generation-assisted PCB defect inspection framework that integrates controlled defect synthesis with task-specific defect detection within an IIoT-enabled pipeline. On the generation side, a Multi-modal Condition Generator extracts complementary edge, depth, and text conditions in parallel. A ScaleEncoder then embeds these conditions into the diffusion U-Net at four resolutions, and a Condition Modulation applies FiLM-style spatially-adaptive modulation at each scale, enabling structurally aligned and defect-aware sample synthesis to augment the scarce IIoT dataset. On the detection side, an Inverted Residual Shift Attention couples self-attention with shift-wise convolution to jointly capture global context and local texture, and a Cross-level Complementary Fusion Block generates pixel-level gates for selective cross-level feature fusion. The synthesized samples directly enrich the detection training set, so that improvements in generation compound with improvements in detection. Extensive experiments on DsPCBSD+ demonstrate that UniPCB achieves mAP@0.5 of 98.0% and mAP@0.5:0.95 of 61.8% on defect detection, surpassing all compared methods, while the generation branch attains an FID of 129.61 and SSIM of 0.619, outperforming existing conditional generation approaches.