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01.
arXiv (quant-ph) 2026-06-15

Spin counting via projection noise measurement of mesoscopic solid-state spin ensemble

arXiv:2606.14437v1 Announce Type: new Abstract: Quantum projection noise is the fundamental noise source for the population measurement of spin ensembles. While projection-noise-limited measurements have been extensively studied in atomic systems, corresponding experiments on solid-state spin ensembles remain challenging due to dominant classical readout noise. Here, we report direct measurement of the quantum projection noise of mesoscopic ensembles of nitrogen-vacancy (NV) spin defects at room temperature. Our experiment is enabled by a high optically-detected magnetic resonance (ODMR) contrast of over 20% for a single crystallographic orientation of the defect spins, obtained by combining polarization-selective optical excitation with spin-to-charge conversion. We use our protocol to demonstrate projection noise measurements and spin counting from nanoscale NV ensembles of up to 43 spins. We further demonstrate that the protocol allows for significant gains in sensitivity for magnetometry applications without need for cryogenic operation or high bias magnetic fields.

02.
arXiv (CS.AI) 2026-06-18

Bounded Context Management for Tabular Foundation Models on Stream Learning

arXiv:2606.18677v1 Announce Type: cross Abstract: Tabular stream learning requires predictions on sequentially arriving examples under distribution shift. While standard methods adapt by updating model states, tabular foundation models (TFMs) make predictions conditioned on a labeled context in an in-context manner, making them a natural alternative for stream learning. This shifts the challenge from how to update the model to how to manage the context. We propose a future information view that yields three practical requirements for context management: preserve recent examples, retain uncertain examples, and remove redundant examples. We instantiate these requirements as CURE (Context management via Uncertainty-aware admission and Redundancy aware Eviction), a context-managing policy with entropy-gated admission and redundancy-aware eviction. Across seven streams, CURE shows up to 27.0% relative improvement over classical stream learners, remains robust across multiple TFM backbones, and ranks first among other policy variants. Code and datasets are available at https://github.com/morcellinus/CURE-ICML-FMSD.

03.
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.

04.
arXiv (CS.LG) 2026-06-18

Geometric and Stochastic Analysis of Discontinuities in Sparse Mixture-of-Experts

arXiv:2606.19036v1 Announce Type: new Abstract: Sparse Mixture-of-Experts (SMoE) architectures are now widely deployed in state-of-the-art language and vision models, where conditional routing allows scaling to very large networks. However, this very Top-$k$ expert selection that enables conditional routing also renders the SMoE map inherently discontinuous. In the vicinity of these discontinuity surfaces, even inputs that are arbitrarily close may activate substantially different sets of experts resulting in significantly different outputs. In this work we give a rigorous geometric and stochastic analysis of these discontinuities. We first classify them by order, determined by the number of tied experts at a switching event. Using measure-theoretic slicing arguments, we establish asymptotic volume estimates for the thickened discontinuity surfaces, showing that lower-order discontinuity sets dominate, whereas higher-order ones occupy a vanishingly small relative volume. Next, modeling random perturbations in the input space via a diffusion process, we prove that the path eventually encounter a discontinuity, and moreover that the first hit almost surely occurs on an order-1 discontinuity with explicit finite-time probability bounds. We further derive occupation-time bounds that quantify the duration the random path spend in the neighborhoods of each discontinuity order. These theoretical results imply that inputs are more likely to lie near lower order discontinuities. Motivated by this insight, we propose a simple smoothing mechanism that can be directly applied to existing SMoEs, softly incorporating experts near discontinuities; our analysis guarantees that the added computational overhead remains small while providing localized smoothing near discontinuities, and experiments across language and vision tasks show that smoothing not only enforces continuity of the SMoE map but also enhances empirical performance.

05.
arXiv (CS.AI) 2026-06-12

A Zero-shot Generalized Graph Anomaly Detection Framework via Node Reconstruction

arXiv:2606.12673v1 Announce Type: cross Abstract: Cross-domain graph anomaly detection (GAD) aims to identify abnormal nodes in unseen target graphs, showing strong potential in real-world applications with heterogeneous graph data. However, existing methods often depend on dataset-specific feature semantics and structural patterns, which limits their ability to generalize across different domains. To address this challenge, we propose AlignGAD, a zero-shot generalized graph anomaly detection framework. Our framework is built upon three key components: a Global Unification Module that aligns heterogeneous node features and normalizes graph signals in the spectral domain; a Clustering Module that constructs cluster-aware graph views to capture group-level abnormal patterns; and a Node Discrepancy Scoring Module that measures reconstruction discrepancy and aggregates anomaly evidence from different graph views. Experiments on multiple real-world datasets demonstrate the effectiveness of AlignGAD under the zero-shot GAD setting.

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

Domain-Validity-Gated Metamorphic Testing of Scientific ML Surrogates

arXiv:2606.17529v1 Announce Type: cross Abstract: Scientific machine-learning (SciML) surrogates approximate expensive simulations, but exact expected outputs for arbitrary inputs are unavailable (the oracle problem). Metamorphic testing checks relations across executions, yet a candidate relation is not automatically valid: its preconditions, output mapping, and the numerical floor of the scoring operator determine whether a violation is meaningful. We study how candidate metamorphic relations (MRs) can be screened for domain validity and turned into executable, oracle-free test assets for SciML surrogates. We propose (i) a domain-validity rubric that admits a candidate only when its tolerance dominates the operator's numerical floor and its preconditions hold; (ii) an MR-card executable-asset format recording source cases, transformations, metrics, tolerances, and typed relation-level verdicts; and (iii) a case-study protocol on MeshGraphNets cylinder-flow surrogates, with a claim ledger binding every result to a tracked artifact. On a MeshGraphNets checkpoint, node permutation holds to machine precision, mirror-y is a bounded out-of-distribution stress finding rather than an exact symmetry, and absolute conservation stays deferred while a reference-relative guard passes. The same readings hold across held-out trajectories, a checkpoint roster, three further architectures, and PhysicsNeMo. On a second CFD task (compressible airfoil) the predicate instead rejects incompressible continuity on physical grounds, showing it reasons about domain validity rather than running a fixed checklist. On a second PDE family, FNO Burgers and heat surrogates run full admit/reject/execute verdicts. The evidence spans two CFD tasks and a second PDE family, supporting a validity-aware bridge from candidate MRs to auditable SciML test assets that separates model-level violations from out-of-domain applications.

07.
arXiv (CS.AI) 2026-06-12

On Approximating the Dynamic Response of Synchronous Generators via Operator Learning: A Step Towards Building Deep Operator-based Power Grid Simulators

arXiv:2301.12538v2 Announce Type: replace-cross Abstract: This paper develops an Operator Learning framework for approximating the dynamic response of synchronous generators. The framework can be used to (i) build a neural network-based generator model that interacts with a power grid simulator or (ii) shadow the true generator's transient response. First, we develop a data-driven Deep Operator Network (DeepONet) to approximate the infinite-dimensional solution operator of the generators. Then, we design a numerical scheme based on DeepONet that simulates the generator's response over a given time horizon. The proposed scheme recursively employs the trained DeepONet to simulate the response for a given multi-dimensional input that describes the interaction between the generator and the power grid. In addition, we design a residual DeepONet numerical scheme that can incorporate information from existing mathematical models. We accompany this residual DeepONet scheme with an estimate for the prediction's cumulative error. Finally, we build a data aggregation (DAgger) strategy that allows fine-tuning of DeepONets using aggregated training data that the DeepONets will likely encounter during interactive simulations with other grid components. As a proof of concept, we demonstrate that the proposed frameworks can effectively approximate the transient model of a synchronous generator.

08.
arXiv (CS.AI) 2026-06-19

Physical Atari: A Robust and Accessible Platform for Real-time Reinforcement Learning on Robots

arXiv:2606.19357v1 Announce Type: cross Abstract: We built a robot called the Robotroller that actuates an Atari CX40+ controller and a device called the Atari Devbox that renders the game frame and the reward signal from the Arcade Learning Environment on a screen. The Robotroller and the Atari Devbox, together with an off-the-shelf camera and a desktop computer, constitute a system that can be used to study reinforcement learning algorithms in the physical world. We call the full system Physical Atari. In this paper, we detail the key decisions that make Physical Atari a robust and accessible platform. To make the system robust, we designed the Robotroller so that all movement is done through bearings, which reduces wear. Additionally, we wrote software that monitors the state of the servos at a high frequency and intervenes to limit stress. To make the system accessible, we used affordable off-the-shelf components and parts that can be manufactured using consumer 3D printers. Physical Atari can be built for under $1,000 and has been used for weeks of non-stop reinforcement learning experiments without any mechanical failures. We used it to validate that reinforcement learning algorithms can learn directly on robots and show that even small distribution shifts between learning and deployment can significantly degrade the performance of policies. Our results underscore the importance of on-device adaptation for strong performance on robots.

09.
arXiv (quant-ph) 2026-06-24

Exponential speedup in quantum simulation of Kogut-Susskind Hamiltonian via orbifold lattice

arXiv:2506.00755v2 Announce Type: replace Abstract: We demonstrate that the orbifold lattice Hamiltonian – an approach known for its efficiency in simulating SU($N$) Yang-Mills theory and QCD on digital quantum computers – can reproduce the Kogut-Susskind Hamiltonian in a controlled limit. While the original Kogut-Susskind approach faces significant implementation challenges on quantum hardware, we show that it emerges naturally as the infinite scalar mass limit of the orbifold lattice formulation, even at finite lattice spacing. Our analysis provides both a general analytical framework applicable to SU($N$) gauge theories in arbitrary dimensions and specific numerical evidence for $(2+1)$-dimensional SU($N$) Yang-Mills theories ($N=2,3$). Using Euclidean path integral methods, we quantify the convergence rate by comparing the standard Wilson action with the orbifold lattice action, matching lattice parameters, and systematically extrapolating results as the bare scalar mass approaches infinity. This reformulation resolves longstanding technical obstacles and offers a straightforward implementation protocol for digital quantum simulation of the Kogut-Susskind Hamiltonian with exponential speedup compared to classical methods and previously known quantum methods, modulo a standard assumptions made also for the original Kogut-Susskind approach.

10.
arXiv (quant-ph) 2026-06-16

Symmetry-Induced Relaxation Comb and Strong Quantum Mpemba Effect in Long-Range XXZ Spin Chains

arXiv:2605.20930v3 Announce Type: replace Abstract: Understanding how symmetry constrains dissipative relaxation in open quantum many-body systems remains a central challenge in nonequilibrium physics. Here we uncover a symmetry-filtered Liouvillian mechanism for fast relaxation in a long-range XXZ spin chain subject to dephasing noise. At the isotropic point, the Hamiltonian has global \(SU(2)\) symmetry, whereas the full Liouvillian retains only the \(U(1)\) symmetry associated with total magnetization. This interplay selects a family of spatially uniform \(U(1)\)-neutral eigenoperators with exact eigenvalues \(\lambda=-2q\). Highly symmetric initial states have spectral weight only on this family, so higher-order components decay rapidly and the \(\lambda=-2\) mode governs the long-time dynamics, producing universal \(D(t)\sim e^{-2t}\) relaxation independent of system size and interaction range. Breaking the Hamiltonian symmetry restores overlap with slow Liouvillian modes and strongly suppresses relaxation. This symmetry-filtered accessibility gives rise to a strong quantum Mpemba effect, where a state farther from the steady state relaxes faster than closer thermal states. Our results establish symmetry-filtered Liouvillian mode accessibility as a route to controlling nonequilibrium relaxation in open quantum systems.

11.
bioRxiv (Bioinfo) 2026-06-18

Identification of environmental factors and growth stages in the prediction of fibre yield and fibre quality traits in rain-grown cotton

Context Understanding how and when environmental conditions influence overall crop performance is crucial for optimising the development of genotypes to a specific breeding target environment. We focused on economically important traits of Australian rain-grown cotton including fibre yield and quality traits, which have not been investigated comprehensively. The aim of the study was to identify relevant environmental factors, and the timing and extent of their impact on rain-grown cotton production. Methods We used a data driven approach to analyse the relationship between ten climate related environmental factors across various plant growth stages and eight fibre yield and quality traits, using a large-scale field dataset of 9,283 records collected over 23 years at 4 locations, with 53 unique year-location combinations. We applied eight complementary statistical models including stepwise, penalised and Bayesian linear regression, regression-tree based ensemble methods and deep learning frameworks to (1) select the most essential environmental covariates affecting rain-grown cotton production, and (2) evaluate the predictive performance of these models. Results The environmental impacts on rain-grown cotton production were trait and growth-stage specific. Number of rainy days and solar radiation were identified as the most influential environmental factors for fibre yield traits, vapour pressure deficit at maximum daily temperature was the most influential factor for majority of fibre quality traits. However, each analysed trait was influenced by multiple environmental factors across multiple growth stages (rather than a single factor or a single growth stage). These influential covariates explained a wide range of variation in the traits, accounting for 5.8% to 68.2%. Using the best-fit random forest model, our findings revealed non-linear relationships between key environmental covariates and the traits. Conclusions Environmental factors at different rain-grown cotton growth stages are key determinants for the performance of end-of-season fibre yield and fibre quality parameters. These findings highlight the need to account for environment conditions when developing cotton varieties optimised for rain-grown production systems. Potential strategies are proposed whereby these key environmental factors can be used to increase the rate of genetic gain in rain-grown cotton production systems. Implications The results of this study will be crucial for future genetic evaluations and analyses of genotype-by-environment interaction effects in rain-grown cotton, which must account for the influence of the environment on plant performance. Furthermore, these methods can be applied to other species to identify critical growth stages and environmental factors which most influence crop performance.

12.
arXiv (CS.LG) 2026-06-16

Exact Federated Continual Unlearning for Ridge Heads on Frozen Foundation Models

arXiv:2603.12977v3 Announce Type: replace Abstract: Foundation models are commonly deployed as frozen feature extractors with a small trainable head to adapt to private, user-generated data in federated settings. The ``right to be forgotten'' requires removing the influence of specific samples or users from the trained model on demand. Existing federated unlearning methods target general deep models and rely on approximate reconstruction or selective retraining, making exactness costly or elusive. We study this problem in a practically relevant but under-explored regime: a frozen foundation model with a ridge-regression head. The exact optimum depends on the data only through two additive sufficient statistics, which we turn into a communication protocol supporting an arbitrary stream of add and delete requests via fixed-size messages. The server maintains a head that is, in exact arithmetic, pointwise identical to centralized retraining after every request. We provide deterministic retrain-equivalence guarantees, order and partition invariance, two server-side variants, and a Bayesian certificate of zero KL divergence. Experiments on four benchmarks confirm the guarantees: both variants match centralized ridge retraining to within $10^{-9}$ relative Frobenius error and complete each request at orders-of-magnitude lower cost than federated retraining baselines.

13.
arXiv (quant-ph) 2026-06-16

Decoupling local classicality from classical explainability: A noncontextual model for bilocal classical theory and a locally-classical but contextual theory

arXiv:2511.19266v2 Announce Type: replace Abstract: We construct an ontological model for the theory known as bilocal classical theory doi.org/10.1103/PhysRevA.102.052216. To our knowledge, this is only the second time that an ontological model has been constructed for an entire theory, rather than just for some particular scenarios within a theory. This result refutes a conjecture from doi.org/10.1103/PhysRevA.102.052216 which suggested that there might be no local-realist ontological model for bilocal classical theory. Moreover, it is the first time that an ontological model has been constructed for a theory that fails to be locally tomographic, showing that the assumption of local tomography underpinning the structure theorem in doi.org/10.22331/q-2024-03-14-1283 is a genuine limitation of the theorem. This demonstrates that in general there is no tension between failures of local tomography and classical explainability (i.e., generalised noncontextuality). In fact, bilocal classical theory is in many ways more simply understood via the underlying ontological model than it is within its original formulation (much as how odd-dimensional stabiliser subtheories can be more simply understood via Spekkens' toy theory). Furthermore, this result naturally leads to the question, does every locally-classical theory admit of an ontological model? By constructing a concrete counterexample, we show that this is not the case. Our findings demonstrate that there is no straightforward relationship between theories being locally-classical, and them being classically-explainable. This shows that the fundamental status of compositional properties (such as local tomography) is not a technical side-issue, but a central and unavoidable question for a coherent understanding even of classicality itself.

14.
arXiv (CS.AI) 2026-06-16

Wasserstein Convergence of ODE-Based Samplers in Decentralized Diffusion Model via Velocity Field Decomposition

arXiv:2606.15835v1 Announce Type: cross Abstract: Diffusion models have achieved impressive empirical success in generative tasks, and their convergence theory is now relatively well understood. Motivated by privacy and scalability, recent decentralized diffusion architectures replace a single global velocity field with multiple local experts and a routing mechanism, yielding a sampling dynamics with stochastic expert switching that falls outside standard diffusion convergence analyses. In this work, We study a decentralized diffusion framework with stochastic velocity fields and ODE-based sampling. We establish a convergence guarantee in Wasserstein-2 distance, showing that the distribution of the $N$-step discretization converges to the analytical solution at rate $\mathcal{O}(N^{-1/2}+\varepsilon)$ in $W_2$, where $\varepsilon$ captures the neural approximation errors. To our knowledge, this is the first $W_2$ convergence result for decentralized diffusion models with an ODE-based sampling scheme.

15.
arXiv (CS.LG) 2026-06-12

ShapeBench: A Scalable Benchmark and Diagnostic Suite for Standardized Evaluation in Aerodynamic Shape Optimization

arXiv:2605.20763v2 Announce Type: replace Abstract: Rapid progress in aerodynamic shape optimization (ASO) has outpaced currently-available standardized evaluation frameworks. Fair comparison requires a unified benchmark spanning diverse shape classes, objective formulations, and matched-budget state-of-the-art baselines. We introduce ShapeBench, an open-source ASO benchmark with a unified API spanning 103 tasks across eight shape categories and multiple optimization regimes. Each ShapeBench task includes a validated surrogate for fast search; when feasible, a high-fidelity Computational Fluid Dynamics (CFD) pipeline for final verification is available, enabling systematic fidelity-gap analysis. ShapeBench provides a reproducible protocol with well-configured baselines to compare fairly using a consistent budget metric, allowing for comparison among both classical and LLM-driven methods, including general-purpose optimizers and a new domain-specialized evolutionary LLM baseline, ShapeEvolve. Results on ShapeBench demonstrate substantial variance in optimizer rankings across shape categories and problem formulations, with mean pairwise Spearman $\rho = 0.013$, so single-task conclusions do not reliably generalize across problem classes. The benchmark is also far from saturation; classical methods are rarely applicable across all shape categories and tasks, further highlighting the need for more general-purpose approaches.

16.
arXiv (CS.AI) 2026-06-12

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

作者:

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.

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

Comparing Linear Probes with Mahalanobis Cosine Similarity

arXiv:2606.19603v1 Announce Type: new Abstract: Linear probes are widely used in interpretability research and often compared by cosine similarity. The Mahalanobis cosine similarity (MCS) between two directions, which reweights the inner product by test data covariance, is a natural task-aware refinement. Ying et al. (2026) report that a probe's MCS to a reference probe trained on the out-of-distribution (OOD) data near-perfectly linearly predicts the probe's OOD AUROC (R^2 = 0.98). Here, we extend this empirical finding across models, layers, and concept domains, and prove this general phenomenon in closed form: For balanced classes whose projections are Gaussian, OOD AUROC and MCS to the reference probe are linear because both are sigmoid-shaped functions of the probe's signal-to-noise ratio (SNR) on the test data. The theory also predicts when this linearity fails, which we verify empirically. MCS offers a theoretically grounded and empirically effective alternative to Euclidean cosine similarity for comparing linear probes.

18.
arXiv (CS.LG) 2026-06-17

AnomalyMatch: Discovering Rare Objects of Interest with Semi-supervised and Active Learning

arXiv:2505.03509v3 Announce Type: replace Abstract: Anomaly detection in large datasets is essential in astronomy and computer vision. However, due to a scarcity of labelled data, it is often infeasible to apply supervised methods to anomaly detection. We present AnomalyMatch, an anomaly detection framework combining the semi-supervised FixMatch algorithm using EfficientNet classifiers with active learning. AnomalyMatch is tailored for large-scale applications and integrated into the ESA Datalabs science platform. In this method, we treat anomaly detection as a binary classification problem and efficiently utilise limited labelled and abundant unlabelled images for training. We enable active learning via a user interface for verification of high-confidence anomalies and correction of false positives. Evaluations on the GalaxyMNIST astronomical dataset and the miniImageNet natural-image benchmark under severe class imbalance display strong performance. Starting from five to ten labelled anomalies, we achieve an average AUROC of 0.96 (miniImageNet) and 0.89 (GalaxyMNIST), with respective AUPRC of 0.82 and 0.77. After three active learning cycles, anomalies are ranked with 76% (miniImageNet) to 94% (GalaxyMNIST) precision in the top 1% of the highest-ranking images by score. We compare to the established Astronomaly software on selected 'odd' galaxies from the 'Galaxy Zoo- The Galaxy Challenge' dataset, achieving comparable performance with an average AUROC of 0.83. Our results underscore the exceptional utility and scalability of this approach for anomaly discovery, highlighting the value of specialised approaches for domains characterised by severe label scarcity

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

Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design

arXiv:2601.09693v3 Announce Type: replace Abstract: Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale. In this work, we introduce Contrastive Geometric Learning for Unified Computational Drug Design (ConGLUDe), a single contrastive geometric model that unifies structure- and ligand-based training. ConGLUDe couples a geometric protein encoder that produces whole-protein representations and implicit embeddings of predicted binding sites with a fast ligand encoder, removing the need for predefined pockets. By aligning ligands with both global protein representations and multiple candidate binding sites through contrastive learning, ConGLUDe supports ligand-conditioned pocket prediction in addition to virtual screening and target fishing, while being trained jointly on protein-ligand complexes and large-scale bioactivity data. Across diverse benchmarks, ConGLUDe achieves competitive zero-shot virtual screening performance, substantially outperforms existing methods on a challenging target fishing task, and demonstrates state-of-the-art ligand-conditioned pocket selection. These results highlight the advantages of unified structure-ligand training and position ConGLUDe as a step toward general-purpose foundation models for drug discovery.

20.
arXiv (CS.CV) 2026-06-16

Proact-VL: A Proactive VideoLLM for Real-Time AI Companions

Proactive and real-time interactive experiences are essential for human-like AI companions, yet face three key challenges: (1) achieving low-latency inference under continuous streaming inputs, (2) autonomously deciding when to respond, and (3) controlling both quality and quantity of generated content to meet real-time constraints. In this work, we instantiate AI companions through two gaming scenarios, commentator and guide, selected for their suitability for automatic evaluation. We introduce the Live Gaming Benchmark, a large-scale dataset with three representative scenarios: solo commentary, co-commentary, and user guidance, and present Proact-VL, a general framework that shapes multimodal language models into proactive, real-time interactive agents capable of human-like environment perception and interaction. Extensive experiments show Proact-VL achieves superior response latency and quality while maintaining strong video understanding capabilities, demonstrating its practicality for real-time interactive applications.

21.
arXiv (CS.CV) 2026-06-18

APT: Atomic Physical Transitions for Causal Video-Language Understanding

Physical events are not understood by their names alone, but by the causal state changes that compose them. A clip-level label such as "bounce" can be correct while hiding the process that makes the event physically valid, from support loss and contact onset to rebound and settling. To make this hidden process explicit, we introduce Atomic Physical Transitions (APTs): minimal, temporally localized state changes that bind a visible cue to an active physical mechanism and before/after dynamical regimes. An APT chain represents a video as an ordered causal transition sequence rather than a single aggregate event label: event labels tell what happened; APT chains explain why it happened. To make APTs learnable by VLMs, we construct mixed-source APT data from human annotations and simulator ground truth, covering 14 transition types across contact, gravity, friction, and rotation/stability, with 27,303 timed instances over 1,246 trials. Using this data, we find that current VLMs miss transition-level physics, with zero-shot recall at most 14% and errors dominated by missed transitions. Direct fine-tuning on APT chains improves transition detection but causes event-level forgetting, indicating that the model learns a specialized answer format rather than a reusable physical representation. We therefore propose APT-Tune, a parameter-efficient recipe that teaches VLMs to use causal transitions without forgetting how to answer video questions. It combines image-pad-aware supervision, format-conditional co-training, and mechanism-conditioned domain-to-type decoding to make APT learning format-robust and physically grounded. With only 11 M LoRA parameters on Qwen3-VL-2B, APT-Tune substantially improves APT recall while also improving event-level video transfer. These results show that APTs are not a new answer format, but a human-aligned causal supervision signal for physical video understanding.

22.
arXiv (CS.LG) 2026-06-17

QueryMarket: Cost-Aware Online Active Learning in Data Markets

arXiv:2606.17805v1 Announce Type: new Abstract: Data acquisition is a major bottleneck for learning in real-time streams: analysts must decide on the fly which labels to purchase while respecting a rolling budget. However, existing online active learning rarely unifies pricing, information gain, and rolling budget constraints under concept drift. We introduce QueryMarket, a market-inspired framework that queries each incoming data point based on its estimated utility to the model and its price. Within this framework, we propose OVBAL (online variance-based active learning), which integrates data pricing with information-driven selection by estimating each sample's marginal utility via a D-optimality criterion with exponential forgetting and executing cost-aware purchases under rolling budget constraints. OVBAL yields a simple, fully online decision rule that adapts to nonstationary streams and heterogeneous label costs. Experiments on synthetic data and a real-world solar power generation forecasting task show that OVBAL is particularly effective under seller-centric pricing and yields a more favorable long-run error-cost trade-off in the real-world task under both pricing schemes.

23.
arXiv (CS.AI) 2026-06-15

CSPO: Constraint-Sensitive Policy Optimization for Safe Reinforcement Learning

arXiv:2606.14415v1 Announce Type: new Abstract: Safe reinforcement learning (Safe RL) aims to maximize expected return while satisfying safety constraints, typically modeled as Constrained Markov Decision Processes (CMDPs). While primal-dual methods scale well to deep RL, they often suffer from delayed constraint correction, leading to oscillatory behavior and prolonged safety violations. In this paper, we propose Constraint-Sensitive Policy Optimization (CSPO), a first-order primal-dual method that incorporates local constraint sensitivity into policy updates. CSPO augments the primal objective with a constraint-sensitive correction derived from the shortest signed distance to the safety boundary, enabling smarter recovery steps back to safety, compensating for delayed Lagrange multiplier updates, reducing oscillations near the boundary, and preserving the KKT solutions of the original constrained problem. Experiments on navigation and locomotion benchmarks demonstrate that CSPO achieves faster safety recovery and high reward preservation, resulting in higher constrained returns compared to state-of-the-art primal-dual and penalty-based methods

24.
arXiv (CS.LG) 2026-06-18

TINNs: Time-Induced Neural Networks for Solving Time-Dependent PDEs

arXiv:2601.20361v2 Announce Type: replace Abstract: Physics-informed neural networks (PINNs) solve time-dependent partial differential equations (PDEs) by learning a mesh-free, differentiable solution that can be evaluated anywhere in space and time. However, standard space-time PINNs take time as an input but reuse a single network with shared weights across all times, forcing the same features to represent markedly different dynamics. This coupling degrades error performance and can destabilize training when enforcing PDE, boundary, and initial constraints jointly. We propose Time-Induced Neural Networks (TINNs), a novel architecture that parameterizes the network weights as a learned function of time, allowing the effective spatial representation to evolve over time while maintaining shared structure. The resulting formulation naturally yields a nonlinear least-squares problem, which we optimize efficiently using a Levenberg-Marquardt method. Experiments on various time-dependent PDEs show up to 4 times improved relative error and 10 times faster convergence compared to PINNs and strong baselines.

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

Unlocking LLM Code Correction with Iterative Feedback Loops

arXiv:2606.17514v1 Announce Type: cross Abstract: Large Language Models have shown remarkable capabilities in code generation. However, most existing evaluations focus only on single-attempt accuracy and overlook the iterative refinement process that is central to real-world programming. This study presents a systematic investigation of LLMs' ability to rectify their own code through execution feedback. Using real-world programming problems across four models and two major programming languages, this study evaluates performance using iterative refinement framework where LLMs receive compiler error messages and testcase feedback after each attempt. This study introduces metrics to evaluate code failures, analyze rectification patterns, and compare the effectiveness of reasoning and non-reasoning models, offering actionable insights into both the understanding and practical application of feedback loops in LLM-driven code generation systems. Results show that reasoning models consistently improve over iterations, substantially outperforming non-reasoning models in leveraging feedback, while syntactic and runtime errors are far more tractable than logical or algorithmic failures.