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01.
arXiv (CS.LG) 2026-06-17

Physics-Constrained Neural Networks for Improved Short-Term Weather Forecasting: A Case Study over the South Pacific

arXiv:2606.17659v1 Announce Type: new Abstract: This study introduces enhancements to physics-constrained neural networks (PCNNs) that improve the accuracy and stability of hybrid short-term weather forecasting models. Building on the WeatherGFT architecture, three innovations are proposed. First, an upgraded numerical solver, combining a fifth-order weighted essentially non-oscillatory scheme (WENO-5), a beta-plane approximation, and subgrid-scale viscosity, permits a fourfold increase in the integration time step to 1200 s while reducing the daily mean squared error by up to 26%. Second, a unified autoregressive hybrid block replaces the original chain of 24 specialised modules, eliminating overfitting to specific lead times. Third, the physical core is integrated with two state-of-the-art neural backbones, resulting in PI-PredFormer and PI-IAM4VP. Evaluation on the WeatherBench South Pacific subset from 2000 to 2004 shows that these hybrids reduce root mean squared error at 1-12 h lead times by 8-22% compared to purely neural counterparts, while better preserving physical consistency. These results demonstrate that incremental refinement of hybrid components offers a practical route toward more accurate and efficient short-range weather forecasting.

02.
arXiv (CS.LG) 2026-06-17

MGUP: A Momentum-Gradient Alignment Update Policy for Stochastic Optimization

arXiv:2606.17526v1 Announce Type: new Abstract: Efficient optimization is essential for training large language models. Although intra-layer selective updates have been explored, a general mechanism that enables fine-grained control while ensuring convergence guarantees is still lacking. To bridge this gap, we propose MGUP, a novel mechanism for selective updates. MGUP augments standard momentum-based optimizers by applying larger step-sizes to a selected fixed proportion of parameters in each iteration, while applying smaller, non-zero step-sizes to the rest. As a nearly {plug-and-play} module, MGUP seamlessly integrates with optimizers such as AdamW, Lion, and Muon. This yields powerful variants such as MGUP-AdamW, MGUP-Lion, and MGUP-Muon. Under standard assumptions, we provide theoretical convergence guarantees for MGUP-AdamW (without weight decay) in stochastic optimization. Extensive experiments across diverse tasks, including MAE pretraining, LLM pretraining, and downstream fine-tuning, demonstrate that our MGUP-enhanced optimizers achieve superior or more stable performance compared to their original base optimizers. We offer a principled, versatile, and theoretically grounded strategy for efficient intra-layer selective updates, accelerating and stabilizing the training of large-scale models. The code is publicly available at https://github.com/MaeChd/MGUP.

03.
arXiv (CS.AI) 2026-06-15

RAMAC: Multimodal Risk-Aware Offline Reinforcement Learning and the Role of Behavior Regularization

arXiv:2510.02695v3 Announce Type: replace-cross Abstract: In safety-critical domains where online data collection is infeasible, offline reinforcement learning (RL) is attractive only if policies achieve high returns without catastrophic lower-tail risk. Prior work on risk-averse offline RL achieves safety at the cost of either (i) value/model-based pessimism or (ii) restricted policy classes that limit expressiveness, whereas diffusion/flow-based expressive generative policies have largely been used in risk-neutral settings. We introduce Risk-Aware Multimodal Actor-Critic (RAMAC), a simple, modular, model-free framework that couples an expressive generative actor (e.g., diffusion/flow) with a distributional critic and optimizes a composite objective that combines Conditional Value-at-Risk (CVaR) with behavioral cloning (BC), enabling risk-sensitive learning in complex multimodal scenarios. Since out-of-distribution (OOD) actions are a major driver of catastrophic failures in offline RL, we further provide an objective-level analysis showing that controlling behavior divergence via BC suppresses OOD actions and stabilizes CVaR. Instantiating RAMAC with a diffusion actor, we illustrate these insights on a 2-D risky bandit and evaluate on Stochastic-D4RL, observing consistent gains in $\mathrm{CVaR}_{0.1}$ while maintaining strong returns. The code and experimental results are available on the \href{https://kaifukazawa.github.io/ramac-project/} {project website}

04.
arXiv (CS.CV) 2026-06-12

MaskWAM: Unifying Mask Prompting and Prediction for World-Action Models

World Action Models (WAMs) present a promising paradigm for robotic control via video prediction. However, current WAMs suffer from fundamental spatial bottlenecks: standard text inputs introduce referential ambiguity in cluttered scenes, while unstructured RGB predictions lack semantic grounding and remain biased by task-irrelevant backgrounds. To overcome these limitations, we introduce MaskWAM, an object-centric world-action model. By jointly integrating masks as both explicit inputs and predictions via a unified Mixture of Transformers (MoT), MaskWAM unlocks robust policy generalization. This design provides two key benefits: (1) predicting future masks yields object-centric semantic supervision that suppresses visual noise, significantly enhancing even standard text-conditioned WAMs; and (2) coupling this predictive supervision with first-frame visual prompts, such as target object masks, establishes a precise spatial anchor that substantially reduces language ambiguity. Crucially, as WAMs are inherently vision-driven architectures, direct mask conditioning yields substantially stronger guidance than text alone, establishing a precise and robust paradigm for manipulating unseen objects. Evaluations on LIBERO, RoboTwin, and real-world tasks demonstrate that MaskWAM significantly outperforms baselines in both language-clear and language-ambiguous tasks.

05.
arXiv (math.PR) 2026-06-12

Averaging principles for nonautonomous multiscale McKean-Vlasov stochastic systems

arXiv:2606.12820v1 Announce Type: new Abstract: This paper investigates a class of nonautonomous multiscale McKean-Vlasov stochastic systems. By leveraging the nonautonomous Poisson equation, we rigorously establish both strong and weak averaging principles, accompanied by explicit convergence rates. Notably, the coefficients of the averaging equations derived in the general case retain dependence on the scaling parameter $\varepsilon$. However, under the additional assumptions that the fast-scale coefficients are either asymptotically convergent or time-periodic, we demonstrate that the slow component converges, in the strong or weak sense, to averaging equations with coefficients independent of $\varepsilon$.

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

GEASS: Gated Evidence-Adaptive Selective Caption Trust for Vision-Language Models

Vision-Language Models (VLMs) hallucinate objects that are not present, and a growing line of work tries to curb this by feeding the model its own generated caption as auxiliary evidence – assuming that a caption, once available, is something to consume. We show this fails: naively appending a caption can lower accuracy rather than raise it, dropping Qwen2.5-VL-3B$^\dagger$ on HallusionBench by nearly ten points. To understand why, we build GD-Probe, a diagnostic set that pairs a global and a detail question on the same image, so that any difference in caption effect is attributable to the question alone. Caption utility proves to be a per-query property: the same caption helps global questions and harms detail ones, through a single mechanism – an embedded caption competes with the image for attention and pulls the model's evidence onto its own text – whose sign is set by whether the caption covers the queried content. Crucially, this regime is readable from quantities the decoder already emits, with no attention access or grounding. We turn this into GEASS (Gated Evidence-Adaptive Selective Caption Trust), a training-free, logit-level module that decides per query how much of the caption to trust, gating it by the clean path's confidence, weighting it by the entropy reduction it induces, and raising the evidence bar when the two pathways disagree. Across four VLMs and two benchmarks (POPE and HallusionBench), GEASS improves over both vanilla inference and contrastive decoding under a single fixed setting, adding only two forward passes and no parameters.

07.
arXiv (CS.LG) 2026-06-11

Minimal surfaces, Knots, and Neural Networks

arXiv:2605.26234v2 Announce Type: replace-cross Abstract: A recent conjecture by Joel Fine posits a relationship between the coefficients of the HOMFLY polynomial of a knot $K$ in the 3-sphere $S^3$, and the signed count of minimal surfaces in hyperbolic 4-space $\mathrm{H}^4$ meeting the sphere at infinity at $K$, with prescribed genus and self-intersection number. In this paper, we develop a novel machine learning framework based on Physics-Informed Neural Networks (PINNs) to solve the minimal surface equation in hyperbolic space. We utilise this framework to test Fine's Conjecture by constructing near-minimal surfaces bounding various families of knots in $S^3$. Furthermore, we develop an algorithmic method to find self-intersections and compute their sign. For every knot analysed, the computationally discovered minimal surfaces and their self-intersection numbers perfectly align with the predictions of Fine's Conjecture, providing empirical evidence for it.

08.
arXiv (CS.AI) 2026-06-12

AAbAAC: An Annotated Corpus for Autoimmunity Information Extraction

arXiv:2606.13051v1 Announce Type: new Abstract: Despite advances in information extraction driven by deep learning and large language models, performance gaps remain in highly specialized biomedical fields, where domainspecific complexity poses challenges for generalist models. In this work, we focus on the domain of autoimmunity, where the main entities of interest are autoimmune diseases, autoantibodies (i.e., molecules that may mark or cause these diseases), their molecular targets, their location in the body, and their associated clinical signs. Herein, we present AAbAAC (AutoAntibodies and Autoimmunity Annotated Corpus), a corpus of 115 abstracts selected from PubMed, where we manually annotated entities and their relationships. First, AAbAAC was used to evaluate several methods on the task of named entity recognition (NER), and secondly, to fine-tune NER models. Our study demonstrates the utility of AAbAAC for information extraction in the domain of autoimmunity, showing expected improvement in NER performance after finetuning. This illustrates the value of small-scale annotation efforts for specialized domains and contributes to the computational study of autoimmunity. The AAbAAC corpus is available at https://github.com/f-maury/AAbAAC.

09.
arXiv (CS.AI) 2026-06-12

AI-Automation Tooling in Computer Engineering Education: Mixed-Methods TAM/UTAUT Evidence for a General Acceptance Attitude

Authors:

arXiv:2606.12424v1 Announce Type: cross Abstract: As generative AI and low-code workflow platforms become routine in software practice, a key educational question is whether the next generation of computer engineers will accept these tools as useful, usable, and worthy of sustained engagement. This paper reports a mixed-methods, cross-sectional study of undergraduate computer engineering students' acceptance of AI automation tooling, instantiated through the open-source platform n8n across three identically scripted workshops in Thailand (n = 103). A 12-item, five-point Likert instrument mapped to six TAM/UTAUT constructs - Performance Expectancy (PE), Effort Expectancy (EE), Behavioral Intention (BI), Self-Efficacy (SE), Hedonic Motivation (HM), and Output Quality (OQ) - was complemented by inductive thematic analysis of open-ended feedback. Analyses combined ordinal reliability estimation, bootstrap confidence intervals, non-parametric tests, multiple-comparison-controlled correlations, polychoric dimensionality diagnostics, a common-method-bias check, and between-session comparisons. Acceptance was favorable across all six constructs with large effect sizes, with PE emerging as the strongest construct and HM as the weakest. Dimensionality diagnostics further revealed that canonical TAM/UTAUT sub-facets collapsed into a single general acceptance factor in this short-form post-workshop context, a finding with important methodological and theoretical implications. Qualitative themes converged with the quantitative profile regarding usefulness and enthusiasm but diverged on output quality, revealing a small yet articulate reliability-skeptical minority. The findings support the curricular adoption of AI automation tooling in undergraduate computing education and identify three theory-grounded instructional levers: instruction-sequencing scaffolds, self-efficacy supports, and trust-calibration interventions.

10.
arXiv (CS.AI) 2026-06-18

SkillRevise: Improving LLM-Authored Agent Skills via Trace-Conditioned Skill Revision

arXiv:2606.01139v3 Announce Type: replace Abstract: Agent skills are procedural artifacts that enable LLM agents to execute workflows, verify constraints, and recover from failures. Existing self-evolving methods refine skills using accumulated trajectories. However, they struggle in cold-start settings, where only an initial, imperfect skill is available. Consequently, skill construction defaults to expert authoring or one-shot LLM generation. Expert-authored skills are costly and may not align with how LLM agents actually execute tasks, while one-shot generated skills can be syntactically well formed yet behaviorally weak. To bridge this gap, we propose SkillRevise, an execution-grounded framework designed to iteratively refine these initial skills. SkillRevise diagnoses skill defects from execution evidence, retrieves relevant repair principles from a general memory, and applies execution-anchored edits. By re-executing candidates, it retains the first verifier-passing skill within the revision budget and falls back to empirical utility only when no candidate succeeds. Evaluated across three benchmarks and five LLMs, SkillRevise substantially outperforms one-shot baselines, improving the base agent's success rate on SkillsBench from 36.05% to 61.63%. Furthermore, the revised skills transfer across both executors and task environments, suggesting that SkillRevise captures reusable procedural knowledge beyond any single executor.

11.
arXiv (CS.AI) 2026-06-15

Revisiting Outage for Edge Inference Systems

arXiv:2504.03686v3 Announce Type: replace-cross Abstract: One of the key missions of sixth-generation (6G) mobile networks is to deploy large-scale artificial intelligence (AI) models at the network edge to provide remote-inference services for edge devices. The resultant platform, known as edge inference, will support a wide range of Internet-of-Things applications, such as autonomous driving, industrial automation, and augmented reality. Given the mission-critical and time-sensitive nature of these tasks, it is essential to design edge inference systems that are both reliable and capable of meeting stringent end-to-end (E2E) latency constraints. Existing studies, which primarily focus on communication reliability as characterized by channel outage probability, may fail to guarantee E2E performance, specifically in terms of E2E inference accuracy and latency. To address this limitation, we propose a theoretical framework that introduces and mathematically characterizes the inference outage (InfOut) probability, which quantifies the likelihood that the E2E inference accuracy falls below a target threshold. Under an E2E latency constraint, this framework establishes a fundamental tradeoff between communication overhead (i.e., uploading more sensor observations) and inference reliability as quantified by the InfOut probability. To find a tractable way to optimize this tradeoff, we derive accurate surrogate functions for InfOut probability by applying a Gaussian approximation to the distribution of the received discriminant gain. Experimental results demonstrate the superiority of the proposed design over conventional communication-centric approaches in terms of E2E inference reliability.

12.
arXiv (CS.LG) 2026-06-11

PCS-UQ: Uncertainty Quantification via the Predictability-Computability-Stability Framework

arXiv:2505.08784v2 Announce Type: replace-cross Abstract: As machine learning (ML) enters high-stakes domains, trustworthy uncertainty quantification (UQ) is essential for safety. In this paper we introduce PCS-UQ, a framework based on the Predictability, Computability, and Stability (PCS) principles for veridical data science. Starting with a candidate set of models or algorithms, PCS-UQ integrates a rigorous prediction-check to screen out unsuitable models in the set and utilizes bootstrap samples, in order to capture both inter-sample variability and algorithmic instability for the prediction-checked algorithms. We then introduce a novel multiplicative calibration scheme to enhance local adaptivity, which basically corresponds to a new score in conformal prediction. Moreover, we produce a compilation of 17 real-world regression datasets with manually-constructed subgroups. On this benchmark, PCS-UQ maintains the target coverage while outperforming or matching conformal methods equipped with oracle-selected algorithms in interval width. PCS-UQ achieves consistent subgroup coverage, outperforming these oracle-selected conformal methods. Notably, PCS-UQ stands out in achieving both competitive interval widths and consistent subgroup coverage.Across 6 classification datasets, PCS-UQ reduces prediction set sizes by 20\%. To scale the framework for deep learning, we propose computationally efficient variants that bypass expensive retraining. On three computer vision benchmarks, these variants reduce prediction set sizes by 20\% over conformal baselines. Finally, we provide theoretical proof that a modified PCS-UQ algorithm preserves valid coverage under exchangeability as a form of split conformal inference.

13.
arXiv (CS.AI) 2026-06-11

An XAI View on Explainable ASP: Methods, Systems, and Perspectives

arXiv:2601.14764v2 Announce Type: replace Abstract: Answer Set Programming (ASP) is a popular declarative reasoning and problem solving approach in symbolic AI. Its rule-based formalism makes it inherently attractive for explainable and interpretive reasoning, which is gaining importance with the surge of Explainable AI (XAI). A number of explanation approaches and tools for ASP have been developed, which often tackle specific explanatory settings and may not cover all scenarios that ASP users encounter. In this survey, we provide, guided by an XAI perspective, an overview of types of ASP explanations in connection with user questions for explanation, and describe their coverage by current theory and tools. Furthermore, we pinpoint gaps in existing ASP explanations approaches and identify research directions for future work.

14.
arXiv (CS.CL) 2026-06-18

Leadership as Coordination Control: Behavioral Signatures and the Recovery-Advantage Boundary in Multi-Agent LLM Teams

Authors:

Team science holds that leadership is contingent: it helps only under specific conditions, and capable, autonomous teams may need none at all. We ask the analogous question for multi-agent LLM teams: under what measurable conditions does process-level coordination control add value, and do those conditions match what team science predicts? We use behavioral signatures (majority lock-in, exploration, recovery from an incorrect round-0 consensus) and per-action ablations, clean because each controller is an explicit action set, not a monolithic prompt. We operationalize three classical leadership styles (transactional, transformational, situational) as controllers over a shared action vocabulary (explore, revise, accept, synthesize). A matched controller with the same actions but an arbitrary rule recovers no better than majority voting, so the theory-derived rule, not the vocabulary, does the work. Across four task regimes and three open-weight model families, no controller dominates by accuracy, as the contingency view predicts: transactional control matches a shared round-0 vote on all 12 (model, regime) combinations to within 1.3pp, and gains appear only on the one combination where the round-0 majority is unreliable (llama-4-scout social; situational +8pp over flat). A recovery-advantage account, tested with four boundary probes, says a controller beats plain interaction only where the round-0 majority is unreliable, the task is recoverable, and undirected interaction does not already repair it. These regions map onto contingency theory (leadership substitutes, path-goal redundancy, the situational readiness gap), so a largely null accuracy result is what the theory predicts, not a failure of the controllers. We read process-level coordination control as a contingency to be measured and theory-mapped, not a leaderboard to be topped.

15.
arXiv (CS.AI) 2026-06-15

Exact Linear Attention

Authors:

arXiv:2605.18848v4 Announce Type: replace-cross Abstract: This paper introduces Exact Linear Attention (ELA), a mechanism that achieves linear computational complexity for Transformer attention by exploiting the exact decomposition property of kernel functions, thereby eliminating approximation error. We identify and address two key limitations of prior linear attention – gradient explosion and token attention dilution – by imposing kernel constraints that ensure non-negativity, discriminability, and geometric interpretability. Several kernel functions are proposed, including the Hadamard Exp Kernel, Summation Squared Euclidean Distance Kernel, and Subtraction Squared Euclidean Distance Kernel, each tailored for specific attention behaviors. Beyond the core attention formulation, the paper presents three engineering innovations: (1) a Hyper-Link structure that replaces traditional residual connections to mitigate gradient degradation; (2) a Memory Lobe module based on bidirectional linear attention, which captures "transformation flow" across layers to implement qualitative memory and an implicit reinforcement learning paradigm; and (3) a routing-score-based bias mechanism for Mixture-of-Experts (MoE) to improve interpretability and semantic alignment. Experimental results demonstrate that ELA achieves up to 6x faster decoding speed and 75% reduction in KV cache memory usage compared to full attention, while maintaining comparable or superior training performance. The proposed memory module accelerates convergence and enhances generalization. Furthermore, we extend the linear attention principle to vision models, yielding YOLO-LAT, which attains up to 4.3x GPU inference speedup and 7.9x parameter reduction with competitive detection accuracy. These results underline the broad applicability of exact linear attention for scaling Transformer models to ultra-long sequences and efficient visual tasks.

16.
arXiv (quant-ph) 2026-06-19

Discrimination of genuinely nonlocal sets without entanglement in multipartite systems

arXiv:2606.20380v1 Announce Type: new Abstract: Genuine nonlocality arises when a set of multipartite orthogonal states is locally indistinguishable under any bipartition of the subsystems. The entanglement-assisted discrimination of such genuinely nonlocal orthogonal product sets has attracted significant attention in quantum information. Based on the criterion of local irreducibility, genuine nonlocality is classified into Type I (reducible) and Type II (irreducible). We present entanglement-assisted discrimination schemes for both types of genuinely nonlocal sets that use minimal resources. For low-dimensional cases, Type I sets require only a single EPR pair, whereas Type II sets necessitate only one GHZ state. We extend these protocols to higher-dimensional systems: the discrimination of Type I sets requires only one maximally entangled state in a two-qutrit system, while that of Type II sets similarly demands a single maximally entangled state in a three-qutrit system. For $n$-partite ($n > 3$) systems, Type I sets continue to require only one maximally entangled state, whereas Type II sets necessitate just one additional EPR pair compared to their Type I counterparts. These results provide a robust framework for the efficient discrimination of genuinely nonlocal sets using minimal quantum resources.

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

Reliability without Validity: A Systematic, Large-Scale Evaluation of LLM-as-a-Judge Models Across Agreement, Consistency, and Bias

LLM-as-a-Judge has become the dominant evaluation paradigm for language models, but judge validation in practice relies on exact-match agreement, a metric that does not correct for chance and systematically overstates discriminative ability. We present the largest systematic evaluation of LLM-as-a-Judge to date: 21 judges from nine providers across MT-Bench, JudgeBench, and RewardBench, evaluated under three protocols (agreement, consistency, bias audit) over 118 runs and approximately 541,000 individual judgments. Four findings emerge, consistent across the full cohort, including the April 2026 frontier: kappa deflation between exact match and Cohen's kappa is universal (33–41 pp on MT-Bench), judge rankings shift by up to 14 positions across benchmarks, high test–retest reliability (>0.95) coexists with severe position bias (>0.10) in two production-deployed judges (instantiating a consistency–bias paradox), and verbosity bias is small (

18.
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.

19.
arXiv (CS.CV) 2026-06-16

VEPHand: View-Efficient Photometric Hand Performance Capture at Scale

Robust, high-fidelity 3D hand capture, while fundamental to digital human creation, remains challenging with practical multi-view systems that balance rich photometry with the geometric ambiguities of reconstruction arising from limited viewpoint density. This paper presents an end-to-end pipeline for dynamic hand performance capture and registration, specifically designed for view-efficient setups ($\sim$20 views). We address key challenges with two primary innovations. First, to overcome reconstruction difficulties like limited view overlap and background clutter, our mask-free neural method robustly extracts detailed hand geometry and appearance from unmasked images using scene parameterization and scenario-specific density regularization. Second, addressing registration challenges such as accurately capturing non-linear skin deformations and ensuring plausible results during severe self-contact, we propose a physics-inspired framework. It aligns reconstructions to a personalized hand model by optimizing intrinsic volumetric offsets within its canonical tetrahedral mesh, alongside pose parameters. This approach, supported by robust losses and optimization, captures fine surface deformations, ensures plausible results under severe articulation and self-contact, and demonstrates strong tolerance to input noise. We demonstrate the scalability and robustness of our automated pipeline on an extensive dataset of over 12,000 sequences, from which we also derive a large-scale, high-quality synthetic 2D/3D hand dataset for training downstream tasks. This showcases its effectiveness for single hands, intricate two-hand interactions, and natural hand-object manipulations. Our method achieves state-of-the-art reconstruction fidelity in view-efficient, unmasked scenarios and highly accurate registration. Our project page are available at https://zyshen021.github.io/VEPHand/.

20.
arXiv (quant-ph) 2026-06-16

Achieving double-logarithmic precision dependence in optimization-based quantum unstructured search

arXiv:2603.26039v3 Announce Type: replace Abstract: Grover's algorithm is a fundamental quantum algorithm that achieves a quadratic speedup for unstructured search problems of size $N$. Recent studies have reformulated this task as a maximization problem on the unitary manifold and solved it via linearly convergent Riemannian gradient ascent (RGA) methods, resulting in a complexity of $O(\sqrt{N/M}\log (1/\varepsilon))$, where $M$ denotes the number of target items and $\varepsilon$ denotes the success probability error. In this work, we adopt the Riemannian modified Newton (RMN) method to solve the quantum search problem, under the assumption that the ratio $ M/N$ is known. We show that, in this setting, the Riemannian Newton direction is collinear with the Riemannian gradient in the sense that the Riemannian gradient is always an eigenvector of the corresponding Riemannian Hessian. This structure removes the overhead of Hessian inversion and allows the proposed RMN method to retain the local quadratic convergence in terms of the error $\varepsilon$. More precisely, we rigorously prove an overall complexity of $O(\sqrt{N/M}+\log\log(1/\varepsilon))$. Furthermore, our approach remains Grover-compatible, namely, it relies exclusively on the standard Grover diffusion and oracle operators to ensure algorithmic implementability, and its parameter update process can be efficiently precomputed on classical computers.

21.
PLOS Computational Biology 2026-06-15

Fung-AI: An AI/ML-driven pipeline for antifungal peptide discovery

by Daniel S. Berman, Libby M. Lewis, Tom D. Curtis, Olivia N. Tiburzi, Daniel F. Q. Smith, Arturo Casadevall, Laura J. Dunphy Emerging fungal pathogens represent a concerning threat to both global health and food security. In this study, we aimed to address our rising vulnerability to fungal pathogens through the development of the Fung-AI pipeline: an AI/ML-driven approach for antifungal discovery. A generative adversarial network (GAN) was trained to generate novel candidate antifungal peptide sequences. Next, in silico antifungal and hemolytic classifiers were built to further prioritize AI-generated peptides for experimental validation. From a pool of ~10,000 candidates, thirteen peptides were selected for testing over two-stages of experimentation. Five peptides were found to display mild antifungal activity against the wheat pathogen, Fusarium graminearum, with minimal inhibitory concentrations (MICs) ranging from 250 µg/mL to 500 µg/mL. Four of the five peptides also showed activity against the human pathogen, Candida albicans (MIC: 500 µg/mL). Two of our AI-generated antifungal peptides additionally demonstrated low cytotoxicity in HepG2 human liver carcinoma cells (LC50 > 704.2 µg/mL) indicating that they may be useful as scaffolds for future optimization for therapeutic applications. None of our peptides were found to considerably inhibit the emerging pathogen C. auris, suggesting the need for pathogen-specific down-selection of candidate peptides. Overall, we present a proof-of-principle, generative-AI-based approach for the rapid design of de novo antifungal peptides.

22.
arXiv (CS.LG) 2026-06-18

Toward Simultaneously Optimal Regret in U-Calibration

arXiv:2606.18527v1 Announce Type: cross Abstract: U-calibration studies online forecasting algorithms whose predictions can be consumed by any unknown downstream agent, guaranteeing sublinear regret simultaneously for all proper loss functions. Existing U-calibration algorithms achieve worst-case optimal $O(\sqrt{T})$ regret for every bounded proper loss, but they fail to adapt to easier losses: as we show, even for smooth losses such as squared loss, they incur $\Omega(\sqrt{T})$ regret instead of the optimal $O(\log T)$ regret. In this work, we show that this limitation is not inherent. Specifically, we design a single forecast algorithm that simultaneously achieves $\tilde O(\sqrt{T})$ regret for every bounded proper loss and $O(\log T)$ regret for every bounded smooth proper loss. More generally, our algorithm also attains logarithmic regret for losses that are smooth relative to the log-barrier, which include several non-Lipschitz examples. Our approach is based on a novel variant of Follow-the-Perturbed-Leader (FTPL) in which perturbations are applied directly in the prediction space using self-concordant noise. The resulting analysis also departs substantially from prior FTPL analyses due to the complex nature of this noise and may be of independent interest.

23.
arXiv (quant-ph) 2026-06-15

Extending Covariant Fluctuation Theorems into Quantum Regime through Quasiprobability Approach

arXiv:2606.14519v1 Announce Type: cross Abstract: The covariant formulation of stochastic thermodynamics requires treating the stochastic work as a 4-vector, posing significant challenges for quantum systems due to the non-commutativity. We introduce a new quasiprobability distribution for the work 4-vector, which combines the Wigner and Margenau-Hill quasiprobabilities. This extends the covariant fluctuation theorems from classical to quantum regime. We illustrate our findings with a scalar field driven by classical particles with a generalized version of trace formula. Our work establishes a quasiprobability approach to studying relativistic quantum thermodynamics in a covariant way.

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

Does the Data Processing Inequality Reflect Practice? On the Utility of Low-Level Tasks

The data processing inequality is an information-theoretic principle stating that the information content of a signal cannot be increased by processing the observations. In particular, it suggests that there is no benefit in enhancing the signal or encoding it before addressing a classification problem. This assertion can be proven to be true for the case of the optimal Bayes classifier. However, in practice, it is common to perform "low-level" tasks before "high-level" downstream tasks despite the overwhelming capabilities of modern deep neural networks. In this paper, we aim to understand when and why low-level processing can be beneficial for classification. We present a comprehensive theoretical study of a binary classification setup, where we consider a classifier that is tightly connected to the optimal Bayes classifier and converges to it as the number of training samples increases. We prove that for any finite number of training samples, there exists a pre-classification processing that improves the classification accuracy. We also explore the effect of class separation, training set size, and class balance on the relative gain from this procedure. We support our theory with an empirical investigation of the theoretical setup. Finally, we conduct an empirical study where we investigate the effect of denoising and encoding on the performance of practical deep classifiers on benchmark datasets. Specifically, we vary the size and class distribution of the training set, and the noise level, and demonstrate trends that are consistent with our theoretical results.

25.
arXiv (CS.CV) 2026-06-11

Natural-Language Temporal Grounding in Hour-Long Videos is a Search Problem: A Benchmark and Empirical Decomposition

Temporal grounding–returning the interval $[t_s, t_e]$ for a natural-language query over a video–is the language interface to long-form video, yet has been studied on short videos; the dynamics of hour-scale natural-language grounding remain underexplored. We take the position that at hour-scale, the binding constraint is search, not recognition: Video-LLMs are bottlenecked not by localizing a nearby event, but–given a natural-language query–by searching for the relevant region of a long video. To test this, we release ExtremeWhenBench, the first open hour-scale grounding benchmark (2,273 queries over 194 videos, mean 75.7 min, max 9 hr) with an open-form query distribution. Every open Video-LLM collapses while a frame-level retrieval baseline outperforms them; a failure taxonomy attributes 85% of failures to search; and a retrieve-then-ground hybrid recovers 6.7x over the monolithic Video-LLM–mirroring retrieve-then-read in open-domain QA.