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01.
arXiv (quant-ph) 2026-06-12

Improving Variational Counterdiabatic Driving with Weighted Actions and Computer Algebra

arXiv:2505.18367v4 Announce Type: replace Abstract: Variational counterdiabatic (CD) driving is a disciplined and widely used method to robustly control quantum many-body systems by mimicking adiabatic processes with high fidelity and reduced duration. Central to this technique is a universal structure of the adiabatic gauge potential (AGP) over a parameterized Hamiltonian. Here, we reveal that introducing a new degree of freedom into the theory of the AGP can significantly improve variational CD driving. Specifically, we find that the algebraic characterization of the AGP is not unique, and we exploit this nonuniqueness to develop the weighted variational method for deriving a refined driving protocol. This approach extends the conventional method in two aspects: it assigns customized weights to matrix elements relevant to specific problems, and it effectively incorporates nonlocal information into local driving coefficients. We also develop an efficient numerical algorithm to compute the refined driving protocol using computer algebra. Our framework is broadly applicable and, in principle, it can replace any previous use of variational CD driving. We demonstrate its practicality by applying it to adiabatic evolution along the ground state of a parameterized Hamiltonian. This proposal outperforms the conventional method in terms of fidelity, as confirmed by extensive numerical simulations on quantum Ising models.

02.
arXiv (CS.CL) 2026-06-11

Overcoming State Inertia in Full-Duplex Spoken Language Models via Activation Steering

Full-duplex spoken language models (FD-SLMs) enable seamless speech interaction by allowing models to listen and speak simultaneously, yet the internal mechanism by which they coordinate listening and speaking remains underexplored. We analyze the predictive behavior encoded in FD-SLM hidden representations and find that they exhibit stream-specific predictive patterns: during listening, they preferentially predict the incoming user stream, whereas during speaking, they preferentially predict the model output stream. Building on this observation, we show that FD-SLMs dynamically modulate their internal predictive focus between two states: a generative state aligned with model output generation and a perceptive state aligned with incoming user input. However, this modulation can lag behind abrupt changes in conversational context. During user interruptions, the model remains transiently biased toward the generative state before transitioning into the perceptive state, causing it to miss the beginning of the incoming input. We term this delayed internal transition state inertia. To quantify its downstream impact, we introduce the Zero-Buffer Benchmark (ZBB), a diagnostic benchmark for evaluating immediate interruption comprehension when user speech begins abruptly. We evaluate this setting using response correctness and initial-word occurrence rate (IWOR). Finally, we mitigate state inertia through activation steering with a perception vector, a training-free intervention with little additional computational overhead. Across multiple state-of-the-art FD-SLMs, activation steering substantially improves interruption handling; for example, on PersonaPlex, it improves correctness from 28% to 45% and IWOR from 40% to 72% without any fine-tuning.

03.
arXiv (CS.LG) 2026-06-19

Linear Mode Connectivity under Data Shifts for Deep Ensembles of Image Classifiers

arXiv:2511.04514v2 Announce Type: replace Abstract: The phenomenon of linear mode connectivity (LMC) links several aspects of deep learning, including training stability under noisy stochastic gradients, the smoothness and generalization of local minima (basins), the similarity and functional diversity of sampled models, and architectural effects on data processing. In this work, we experimentally study LMC under data shifts and identify conditions that mitigate their impact. We interpret data shifts as an additional source of stochastic gradient noise, which can be reduced through small learning rates and large batch sizes. These parameters influence whether models converge to the same local minimum or to regions of the loss landscape with varying smoothness and generalization. Although models sampled via LMC tend to make similar errors more frequently than those converging to different basins, the benefit of LMC lies in balancing training efficiency against the gains achieved from larger, more diverse ensembles. Code and supplementary materials are available at https://github.com/DLR-KI/LMC. This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessible.

04.
arXiv (CS.LG) 2026-06-19

Execution-State Capsules: Graph-Bound Execution-State Checkpoint and Restore for Low-Latency, Small-Batch, On-Device Physical-AI Serving

作者:

arXiv:2606.20537v1 Announce Type: new Abstract: Mainstream LLM serving systems reuse prefix work mainly through paged or radix key-value (KV) caches. This is highly effective for high-throughput, high-concurrency serving, but it manages only one positional fragment of execution state: the KV cache. We study the opposite regime: low-latency, small-batch, on-device physical-AI serving, where interactive LLM agents, speech systems, and robot policies repeatedly branch, reset, interrupt, and re-enter under tight responsiveness budgets. We introduce execution-state capsules, a graph-bound checkpoint and restore mechanism for the complete restorable state at a committed boundary. FlashRT is a white-box, backend-facing kernel runtime whose evaluated NVIDIA CUDA backend runs captured graph plans over contiguous static buffers with no block-table indirection. Because the live state is a closed set of named buffers, a capsule can snapshot, restore, fork, or roll back the whole execution boundary, including KV, recurrent state, convolution state, MTP state, and metadata. This moves reuse from token-addressed KV fragments to graph-bound execution-state boundaries. On an RTX 5090, capsule restore is byte-exact at the stored-state level and token-identical under greedy decode. A KV-only ablation diverges, showing that recurrent state is load-bearing. GPU-resident snapshot and restore are sub-millisecond, and TTFT speedup over cold prefill grows from 3.9x at 2k tokens to 27x at 16k tokens. On Jetson AGX Thor and DGX Spark, the same correctness and structural properties hold. Capsules are not a replacement for high-throughput KV-cache serving; they define a complementary latency-first serving point for explicit execution-state reuse.

05.
arXiv (CS.LG) 2026-06-19

Representing Piecewise-Linear Functions by Functions with Minimal Arity

arXiv:2406.02421v2 Announce Type: replace-cross Abstract: Any continuous piecewise-linear function $F\colon \mathbb{R}^{n}\to \mathbb{R}$ can be represented as a linear combination of $\max$ functions of at most $n+1$ affine-linear functions. In our previous paper [``Representing piecewise linear functions by functions with small arity'', AAECC, 2023], we showed that this upper bound of $n+1$ arguments is tight. In the present paper, we extend this result by establishing a correspondence between the function $F$ and the minimal number of arguments that are needed in any such decomposition. We show that the tessellation of the input space $\mathbb{R}^{n}$ induced by the function $F$ has a direct connection to the number of arguments in the $\max$ functions.

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

CRAX: Fast Safe Reinforcement Learning Benchmarking

arXiv:2606.20376v1 Announce Type: cross Abstract: Safety is a core concern for deploying reinforcement learning (RL) agents in real-world domains such as robotics and autonomous driving. While benchmarks have been central to progress in RL, existing safety benchmarks with high-fidelity 3D physics remain computationally slow, limiting large-scale experimentation and rapid prototyping. To address this gap, we propose CRAX (Constrained RL Accelerated with JAX). Built on top of the MuJoCo XLA (MJX) physics engine with realistic 3D dynamics, CRAX leverages vectorized operations and hardware acceleration, yielding up to ~100x speedups over comparable CPU-based safety benchmarks. The benchmark features six environment suites and three agent-specific tasks, each spanning three difficulty levels. Evaluating six popular safe RL methods shows that no single approach dominates across all tasks, and reveals the trade-offs between performance and safety. We find that curriculum learning across difficulty levels and safety transfer can improve performance over direct training in harder settings.

08.
arXiv (CS.CL) 2026-06-15

Same-Origin Policy for Agentic Browsers

Agentic browsers integrate autonomous AI agents into web browsers, enabling users to accomplish web tasks through natural-language instructions. The same-origin policy (SOP) is a fundamental browser security mechanism that prevents unauthorized automated cross-origin data flows induced by scripts. However, whether SOP remains effective in agentic browsers is an open question that has not been systematically studied. In this work, we bridge this gap. We first observe that an agentic browser can itself serve as an automated channel for cross-origin data flows, potentially leading to SOP violations. To investigate this phenomenon, we construct SOPBench, a benchmark for evaluating SOP violations in agentic browsers. Our evaluation shows that existing agentic browsers frequently violate SOP, both in benign settings and under attacks. To address this problem, we propose SOPGuard, an SOP enforcement mechanism tailored to agentic browsers. We implement SOPGuard in BrowserOS, an open-source agentic browser. Extensive evaluations demonstrate that SOPGuard effectively enforces SOP while preserving utility and incurring only a small runtime overhead. Our code and data are available at https://github.com/wxl-lxw/BrowserOS-SOPGuard.

09.
arXiv (CS.CL) 2026-06-19

MedRLM: Recursive Multimodal Health Intelligence for Long-Context Clinical Reasoning, Sensor-Guided Screening, Evidence-Grounded Decision Support, and Community-to-Tertiary Referral Optimization

Real-world clinical decision support requires reasoning over heterogeneous and longitudinal patient information rather than answering isolated medical questions. However, current medical large language models and retrieval-augmented generation systems often rely on single-step prompting or retrieval, which can be fragile when clinical evidence is distributed across long electronic health records, medical images, sensor streams, guidelines, and referral constraints. This paper proposes MedRLM, a Recursive Multimodal Health Intelligence framework for long-context clinical reasoning, sensor-guided screening, and community-to-tertiary referral support. Instead of compressing all patient information into one prompt, MedRLM treats the patient case as an external clinical environment that can be recursively inspected, decomposed, retrieved, verified, and synthesized. The framework coordinates specialized agents for clinical text, longitudinal EHR, medical imaging, physiological sensor signals, guideline retrieval, uncertainty auditing, and referral planning. It further introduces a Clinical Evidence Graph Memory to connect patient-specific observations with retrieved evidence, standardized definitions, sensor-derived biomarkers, and referral criteria. A sensor-guided recursive triggering mechanism activates deeper reasoning when abnormal physiological or behavioral patterns are detected, while uncertainty-gated refinement supports clinician review for high-risk or low-confidence cases. We also outline a real-data evaluation design using public and credentialed clinical datasets spanning EHR, radiology, ECG, ICU time series, and referral-proxy outcomes. MedRLM aims to move medical AI from static question answering toward auditable, multimodal, and workflow-aware clinical decision support.

10.
arXiv (quant-ph) 2026-06-17

Engineering entanglement and transport in interacting quantum walks with tailored potentials

arXiv:2606.17825v1 Announce Type: new Abstract: Controlling the interplay between particle propagation and quantum correlation generation is a central challenge in quantum transport. Here, we investigate two distinguishable continuous-time quantum walkers evolving on parallel one-dimensional lattices, interacting via distance-dependent potentials. While on-site interactions reproduce the typical bosonic behaviour, extending the interaction to a linear potential over multiple neighbors introduces controlled Bloch-like oscillations and shifts the bound-pair regime to stronger couplings. More generally, we explore a Coulomb-like interaction parameterized by strength, spatial scaling, and decay rate. This reveals a rich phase diagram including four distinct dynamical regimes: (i) a high-entropy, oscillatory regime akin to a linear potential; (ii) a strongly localized, bound-pair regime; (iii) a novel intermediate regime combining near-ballistic spreading with strong correlations; and (iv) a weakly interacting, free-propagation regime. Notably, regime (iii) achieves concurrent optimization of transport efficiency and entanglement, offering a sweet spot for correlated quantum dynamics. Our results provide a tool for designing interaction-engineered quantum walks with potential applications in quantum information processing and simulations.

11.
arXiv (CS.CL) 2026-06-16

daVinci-kernel: Co-Evolving Skill Selection, Summarization, and Utilization via RL for GPU Kernel Optimization

GPU kernel optimization represents a paradigm where functional correctness is assumed and execution efficiency is the objective. We present daVinci-kernel, a reinforcement learning framework that couples skill discovery with skill exploitation through a dynamically evolving skill library. daVinci-kernel jointly trains three agents sharing one LLM backbone: a Skill Selection Agent that retrieves relevant techniques via BM25 and LLM reranking, a Policy Agent that generates multi-turn CUDA/Triton kernels conditioned on selected skills, and a Skill Summary Agent that distills successful rollouts into reusable skills. Candidate skills are added only after execution-based verification confirms reproducible speedups. All three agents share a single LLM backbone, are initialized via a structured SFT cold start on diversity-filtered data, and are then jointly optimized end-to-end with multi-turn REINFORCE and per-agent advantage estimation. On KernelBench, daVinci-kernel-14B achieves 37.2%, 70.6%, and 32.2% on Level 1, Level 2, and Level 3 under the Fast$_1$ threshold, outperforming the strongest prior RL-trained model, Dr.Kernel-14B.

12.
arXiv (CS.AI) 2026-06-19

Execution-bound advisory automation for agentic AI: a reproducible AIBOM-driven CSAF-VEX framework

arXiv:2606.19390v1 Announce Type: cross Abstract: A protocol driven framework is presented that binds SBOM and AIBOM artefacts to deterministic environment capture and structured runtime telemetry. Exploitability is computed from declared artefacts, observed activation conditions, and enforced execution policies. CSAF VEX advisories are generated from combined static and runtime evidence, cryptographically signed, and validated through deterministic replay. Evaluation uses approximately 10000 component entries across synthetic Agentic AI workloads 50 to 5000 components, incorporating OSV, GitHub Advisory, KEV, and EPSS datasets.

13.
bioRxiv (Bioinfo) 2026-06-11

Hyper3D-lite: count-preserving representation auditing for long-read multi-contact genome data

作者:

Long-read and single-molecule sequencing technologies are rapidly increasing molecule-level data, with platforms such as Oxford Nanopore, PacBio HiFi, and Roche sequencing-by-expansion advancing at different technology readiness levels. In the specific context of Pore-C and HiPore-C multi-contact chromatin-conformation assays, long-read multi-contact 3D genome assays preserve molecule-level contact context, but common downstream pairwise projections can expand one multi-contact molecule into many pair records. This creates a representation problem: apparent contact evidence can increase through the counting frame before biological interpretation begins. Hyper3D-lite addresses this problem as a representation-first audit tool for read-to-fragment-style long-read multi-contact inputs. It compares all-pair projection with CPB, a count-preserving statistical accounting reference point, and separates broad software outputs from conservative higher-order candidate calls.

14.
arXiv (CS.CL) 2026-06-11

A Resource for Enthymeme Detection in Controversial Political Discourse

Enthymemes, arguments with unstated premises or conclusions, are pervasive in persuasive discourse, yet their annotation remains notoriously subjective. We present a resource of 1,482 tweets from politically controversial discourse, annotated by five annotators for the presence of enthymemes and their argument structure, designed to study label variation. We first revisit the definition of enthymemes and propose annotation guidelines anchored in Walton's argumentation schemes, offering a structured and constrained approach that nonetheless preserves room for the interpretive nature of the task. This contrasts with past resources, which tend to eliminate disagreement, obscuring its sources and preventing investigation of its potential benefits for model performance. We further propose a complexity analysis of the task, identifying where annotation imposes high cognitive load and may give rise to inconsistent annotation. Our preliminary experiments show that models trained on annotator disagreement outperform models trained on hard majority-vote labels. We close by reflecting on how structural openness in enthymeme definitions and guidelines enables the study of variation in subjective inferential processes for future resources and downstream NLP applications concerned with human inference.

15.
arXiv (CS.CL) 2026-06-17

Teaching Values to Machines: Simulating Human-Like Behavior in LLMs

Large Language Models (LLMs) demonstrate a remarkable capacity to adopt different personas and roles; however, it remains unclear whether they can manifest behavior that adheres to a coherent, human-like value structure. In this work, we draw on established psychological value theory to induce human-like values in LLMs and assess their alignment with patterns observed in human studies. Using validated psychological questionnaires, we conduct large-scale experiments – over 5 million questions – to evaluate value structures and value-behavior relationships in leading LLMs and compare them to humans. Our findings reveal strong agreement between value-prompted LLMs and humans across both dimensions. Moreover, incorporating human value distributions enhances population-level simulations with value-induced LLMs. These findings highlight the potential of value-induced LLMs as effective, psychologically grounded tools for simulating human behavior.

16.
arXiv (CS.CV) 2026-06-11

VL-DINO: Leveraging CLIP Vision-Language Knowledge for Open-Vocabulary Object Detectio

Vision-language models like CLIP can provide rich semantic priors for open-vocabulary object detection. However, jointly integrating both textual and visual knowledge into detection architectures remains challenging. In this paper, we propose VL-DINO, an open-vocabulary detector that enhances DINO through more effective exploitation of CLIP's vision-language knowledge. Specifically, a Query-guided Positive Sample Construction (QPSC) module is first developed to construct additional high-quality positive samples, enabling the vanilla DINO framework to better accommodate mixed training across heterogeneous data sources while providing more vision-language alignment signals, thereby incorporating richer textual knowledge during training. A Visual Semantic Encoder (VSE) module is then introduced to distill CLIP visual knowledge into backbone-extracted features, producing fused features for subsequent encoder refinement. Based on the fused features, an Object-Region Semantic Alignment (ORSA) module extracts object-centric region features and aligns them with the corresponding textual embeddings, further incorporating textual cues. In the zero-shot setting, VL-DINO-T and VL-DINO-L achieve 36.3 and 38.1 AP on the LVIS benchmark, respectively, consistently outperforming prior advanced approaches. Extensive experiments demonstrate the effectiveness and competitive performance of the proposed design.

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

SoK: AI-Augmented Binary Reversing

arXiv:2606.17398v1 Announce Type: cross Abstract: Binary reversing is fundamental to software understanding, vulnerability discovery, malware investigation, and firmware auditing. However, it remains inherently challenging due to the irreversible loss of semantic information during compilation. Recent advances in machine learning, large language models (LLMs), and agentic AI systems have accelerated the adoption of AI-augmented binary reversing. Yet, the resulting body of work has become increasingly fragmented across reversing domains, artifact representations, learning approaches, and evaluation practices. This paper presents the first comprehensive systematization of knowledge on AI-augmented binary reversing. We analyze 144 research papers published since 2015, and organize them into 22 binary reversing domains according to the inference tasks. We further introduce a unified taxonomy spanning conventional and AI-augmented reversing pipelines. Our taxonomy connects traditional analysis techniques, binary-derived artifacts, representation strategies, learning paradigms, and downstream inference tasks, while clarifying the emerging roles of LLMs and agentic AI systems. By establishing a common vocabulary and structured framework, we provide a holistic view of the field's evolution over the past decade. Our study reveals common structures underlying seemingly disparate approaches, highlights persistent technical challenges and evaluation gaps, and identifies promising opportunities for future research. Collectively, these insights clarify the current state of the field and provide a foundation for the next generation of reliable and scalable AI-augmented binary reversing systems.

18.
arXiv (math.PR) 2026-06-15

Scaling limits of multitype Bienaymé trees

arXiv:2507.23241v2 Announce Type: replace Abstract: We consider critical multitype Bienaymé trees that are either irreducible or possess a critical irreducible component with attached subcritical components. These trees are studied under two distinct conditioning frameworks: first, conditioning on the value of a linear combination of the numbers of vertices of given types; and second, conditioning on the precise number of vertices belonging to a selected subset of types. We prove that, under a finite exponential moment condition, the scaling limit as the tree size tends to infinity is given by the Brownian Continuum Random Tree. Additionally, we establish strong nonasymptotic tail bounds for the height of such trees. Our main tools include a flattening operation applied to multitype trees and sharp estimates regarding the structure of monotype trees with a given sequence of degrees.

19.
arXiv (CS.LG) 2026-06-17

A Bayesian Boolean Matrix Factorization with Application to Copy Number Analysis in Cancer

arXiv:2606.17491v1 Announce Type: cross Abstract: Binary data factorization is common, but real-valued methods ignore discreteness and yield hard-to-interpret factors. Boolean Matrix Factorization (BooMF) instead decomposes a binary matrix into two lower-rank binary matrices via logical AND and OR, expressing the data as a Boolean disjunction of interpretable patterns. In cancer genomics, BooMF can reveal coordinated feature changes that may drive tumor evolution, unlike rotational or additive decompositions. Most existing BooMF methods are heuristic, greedy, sensitive to initialization, prone to local optima, and do not support principled model selection or uncertainty quantification. We introduce Bayesian Boolean Matrix Factorization (BBMF), a fully conjugate generative model with sparsity-inducing priors. It enforces Boolean constraints, yields interpretable latent factors with coherent uncertainty quantification, and admits Gibbs sampling with closed-form full conditionals. Because cancer evolution often involves widespread, near-simultaneous chromosome-number changes (e.g., whole-genome duplication followed by instability and selection), Boolean factorizations capture these patterns more naturally than additive models. Applied to arm-level copy-number alteration data in multiple myeloma, where entries indicate presence/absence of chromosomal-arm amplifications, BBMF finds a small set of interpretable bicliques linking patient subsets to recurrently co-altered chromosomal arms, providing a compact, biologically meaningful summary of tumor heterogeneity and demonstrating BBMF's utility for uncovering discrete latent structure in complex binary data.

20.
arXiv (CS.LG) 2026-06-15

Operator Calculus for Population-Based Optimization: A Mean-Field Convergence Theory

arXiv:2606.14289v1 Announce Type: cross Abstract: Population-based and distributional optimization methods, from evolution strategies and consensus-based optimization to covariance-matrix adaptation and stochastic gradient methods viewed as distributional dynamics, are widely used for nonconvex or black-box problems, yet their convergence analyses remain fragmented across algorithm-specific techniques. We introduce an operator calculus in which a broad class of such methods, after choosing an appropriate state space and, where necessary, augmenting the state by memory or strategy variables, is described as a composition of three elementary operators (mutation, selection, and recombination) acting on probability measures. Under explicit stability and regularity conditions, the composite operator admits a pre-generator whose continuous-time limit is a transport-reaction-jump (TRJ) PDE that preserves the operator splitting. On this foundation we establish a modular Lyapunov principle. If a state-space Lyapunov function both dissipates under the full generator and controls the relevant search-space gauges, then the state-space Lyapunov functional and the induced search errors decay exponentially. The additive generator structure allows dissipation estimates to be assembled operator by operator, providing a toolkit for certifying convergence of composite mean-field algorithms.

21.
arXiv (CS.LG) 2026-06-12

The Metric Picks the Winner: Evaluation Choice Flips Model Rankings for Drug-Response Prediction in Unseen Chemistry

arXiv:2606.12639v1 Announce Type: new Abstract: Predicting how a cell's transcriptome responds to a drug it has never seen is a core, hard problem in computational cell biology: recent benchmarks show complex models often fail to beat trivial baselines once test compounds are held out by chemistry. We study one cell line and assay, THP-1 cells profiled by DRUG-seq, scored by the active-compound weighted MSE(wMSE) of the VCPI prediction contest. We propose a staged approach: dumb baselines (untreated control and mean training-compound response) that the field keeps failing to beat; non-parametric retrieval (a Tanimoto-weighted average of a held-out compound's nearest training compounds); and a fusion stage combining a frozen chemistry embedding with retrieval-support features to predict the residual over the mean, with an uncertainty head and gene programs. On the released VCPI THP-1 drug-seq data (14,026 training compounds), under a Bemis-Murcko scaffold split, the model ranking inverts depending on the metric. Under an inverse-variance per-gene proxy, a regularized linear regression on Morgan fingerprints appears to win over the deep models, retrieval, and ChemBERTa – the textbook "simple baselines win" result. But under the contest's true active-set metric (per-(gene, compound) Mejia weights, validated against the official scorer; mean baseline 0.535 vs the organizers' 0.507 reference), that reverses: the deep models win, our fusion decoder significantly beats the linear fingerprint baseline (-0.012 wMSE, paired bootstrap p < 10^-4), and the proxy's winner becomes the worst chemistry-aware predictor. Picking the metric picks the winner – to our knowledge the first demonstration on real held-out drug chemistry of the metric-calibration effect established largely on genetic perturbation. We release a reproducible pipeline wired to the official scorer that emits a valid submission over the real 1064 x 12,995 grid.

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

Hard or Just Unreached? Diagnosing the Sampling Blind Spot in Math-Reasoning Difficulty Estimation

arXiv:2606.19636v1 Announce Type: cross Abstract: Math and science reasoning benchmarks rely on pass@k, the fraction of sampled chains that reach gold, as the canonical per-example difficulty signal. The same signal drives RL with verifiable rewards, math data curation, synthetic curricula, and verifier training. We show this proxy has a persistent blind spot on its hardest stratum: on the eight free-form math cells we test (GSM8K and MATH across four open-weight models), 10.3-22.9% of the examples that no sampling seed solves in six tries are instead solved at matched compute by a six-chain deterministic regime. These are greedy decoding plus five cheap residual-stream perturbations applied via activation grafting, while greedy alone solves at most 6% on these math cells. Recovery scales with the additional budget, across perturbations whose mechanistic distinctness we verify across all twelve cells (cross-kind fix-set Jaccard

23.
arXiv (CS.LG) 2026-06-16

Spectral Analysis of Molecular Features: When Richer Features Do Not Guarantee Better Generalization

arXiv:2510.14217v2 Announce Type: replace Abstract: The spectral properties of feature embeddings offer critical insights into model generalization and representation quality. While deep learning models are widely used for molecular property prediction, kernel methods remain competitive in low-data regimes, yet their spectral behavior is largely unexplored. We present the first comprehensive spectral analysis of kernel ridge regression across diverse representations-including molecular fingerprints (ECFP), pretrained transformers, graph neural networks, and 3D descriptors-evaluated on QM9 and 3 MoleculeNet benchmarks. Surprisingly, richer spectral features do not consistently yield better generalization performance, contradicting common representation heuristics used in self-supervised learning (SSL). Across 4 spectral metrics, only ECFP-based kernels show a strictly positive correlation with performance. Transformer and global 3D representations exhibit mixed behavior, whereas local 3D representations show consistently negative correlations. Truncation analysis further emphasizes this disparity: for local 3D representations on thermodynamic targets, fewer than 2\% of eigenvalues (and occasionally as few as 0.02\%) are needed to recover 95\% of performance, whereas ECFP and transformer kernels require significantly more. By demonstrating a strong dependence on both task and representation, our results challenge the heuristic that richer spectra inherently improve generalization, providing new guidance for evaluating representations in SSL and in label-limited scientific tasks.

24.
arXiv (CS.CV) 2026-06-16

Disagreement-Based Cross-Model Routing for Implicit Video Question Answering

We study multiple-choice video question answering on the ImplicitQA benchmark, where the correct answer is never explicitly shown but must be inferred from off-screen events, line-of-sight cues, causal structure, and cross-shot spatial layout. On this benchmark a single frontier video LLM already operates near its accuracy ceiling, and we observe that conventional self-consistency strategies – majority voting across repeated samples of the same model – can hurt rather than help, because the model's errors on hard questions are correlated. We propose disagreement-based cross-model routing, a pure inference-time procedure that requires no labels and no training. We triple-sample a native-video model (Gemini 3.1 Pro Preview) at temperature zero, exploit the genuine sample-to-sample variance of its video-processing pipeline to identify the roughly 20% subset of questions where the three samples disagree, and route only that subset to a second model from a different family (Claude Opus 4.8) that consumes uniformly sampled frames with adaptive thinking. On the 1001-question validation set with public ground truth – our main evaluation – the method improves AvgAcc by +1.43 over the best single sample of the primary model, with per-category gains concentrated on Motion & Trajectory (+5.49), Inferred Counting (+3.45), and Vertical Spatial Reasoning (+1.82) – the categories most dependent on cross-shot reference resolution. The same pipeline applied to the held-out 172-question CVPR 2026 ImplicitQA challenge test set achieves 82.03 AvgAcc / 79.71 MacroAvgAcc (+1.81 over the best single sample of the primary model), confirming the validation result on an independent split.

25.
arXiv (CS.AI) 2026-06-17

Skill-Constrained Model Predictive Control for Resilient Manufacturing Supply Chains

arXiv:2606.17269v1 Announce Type: new Abstract: In skill-constrained production-inventory systems, the qualified human capacity available tomorrow depends on training decisions made today: production requires certified workers, certifications decay unless maintained, and training consumes the same scarce worker hours that production needs now. We study a closed-loop skill-constrained model predictive controller that, at every shift, solves a finite-horizon mixed-integer program over production, inventory, backlog, and training, with binary predicted certification, hard production eligibility, and an interpretable terminal value that prices certified-capacity gaps at the horizon boundary; only the first-period action is applied before replanning. On synthetic, seed-controlled SkillChain-Gym scenarios - announced and surprise new-skill shocks, demand shocks, absenteeism, forecast- and availability-quality modes, capacity-boundary and training-rate sweeps, and negative controls - we evaluate the controller against production-only and maintenance-only ablations, static cross-training insurance plans, and a strong reactive heuristic, under an ex-ante locked configuration and paired statistics. The result is regime dependence, not superiority: no policy class dominates. Predictive control helps when skill or labor bottlenecks are forecastable early enough for training to complete; lean static insurance remains hard to beat under surprise shocks, near the demand-capacity boundary, and wherever pre-shock slack makes insurance cheap. Attribution ablations separate certification maintenance, re-acquisition of lapsed certifications, and greenfield skill acquisition. Forecastability, not adaptivity per se, decides when predictive control pays.