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02.
arXiv (CS.AI) 2026-06-16

From Privacy to Workflow Integrity: Communication-Graph Metadata in Autonomous Agent Interoperability

Authors:
Bijaya Dangol↗

arXiv:2606.07150v2 Announce Type: replace-cross Abstract: Agent-interoperability protocols such as A2A and MCP standardize what agents say to one another but assume address-based transport. Whether over HTTP(S) or a content-protecting binding such as MLS-based SLIM, these transports protect message content yet leave the communication graph exposed: which agent contacts which, when, and how often. In agent systems this graph is more consequential than a privacy framing suggests. Endpoints are capability-labeled, workflows are structured and chained, and interactions are coupled to real actions, so an observer recovers more than past relationships: it can infer the pending workflow and, at machine speed, act on that inference before the workflow completes. The threat is therefore one of workflow integrity, not privacy alone. We formalize a threat model for the communication graph and locate what makes its metadata distinctively consequential: not stronger fingerprinting, which we measure to be comparable to other machine traffic, but exposure across independent trust domains, coupled to autonomous action. We define transport- and bootstrap-layer privacy properties, evaluate candidate transports, and give an A2A case study where a metadata-protecting binding surfaces the protocol's implicit identity assumptions. On a generative model anchored to a real capture and over a live A2A binding, a label-blind classifier recovers a task's class from passive metadata well above chance, and from only its opening; a defense-aware adversary does not overturn this, and only the full set of properties drives recovery toward chance. The leverage of acting on the leak is distinct from recoverability: under a fixed budget an adversary realizes most of a clairvoyant attacker's advantage from a workflow's opening, governed by precision over the top-ranked workflows rather than overall accuracy, so a defense suppresses it even while recovery stays above chance.

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03.
arXiv (CS.CV) 2026-06-12

TetherCache: Stabilizing Autoregressive Long-Form Video Generation with Gated Recall and Trusted Alignment

Authors:
Yu Meng↗Xiangyang Luo↗Letian Li↗Wenyuan Jiang↗Chen Gao↗Xinlei Chen↗Yong Li↗Xiao-Ping Zhang↗

Autoregressive video diffusion models provide a natural formulation for streaming and variable-length video generation by conditioning newly generated frames on previously generated content. However, extending these models to minute-level generation remains challenging: the limited KV-cache budget prevents the model from retaining the full history, while repeatedly conditioning on self-generated frames induces a context distribution shift that accumulates over time, leading to visual artifacts, quality degradation, and temporal drift. In this paper, we propose TetherCache, a training-free and plug-and-play cache management strategy for drift-resistant long video generation. TetherCache organizes the cache into sink, memory, and recent regions, and introduces two complementary mechanisms. First, GRAB (Gated Recall with Attention-Diversity Balancing) selects long-range memory frames using a gated score that combines attention-based relevance with temporal diversity, preserving informative yet diverse historical context under a fixed cache budget. Second, TAME (Trusted Alignment via Memory Editing) lightly edits newly recalled memory tokens by aligning their statistics to a trusted context distribution, reducing the pollution caused by drifted historical features. Built on Self-Forcing, TetherCache consistently improves long-video generation quality on VBench-Long across 30s, 60s, and 240s settings. In particular, for 240s generation, it substantially improves overall and semantic scores while reducing quality drift from 7.84 to 1.33, demonstrating its effectiveness for stable long-horizon autoregressive video diffusion.

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04.
PLOS Computational Biology 2026-06-12

A new method for augmenting short time series, with application to pain events in sickle cell disease

Authors:
Kumar Utkarsh↗

by Kumar Utkarsh, Nirmish R. Shah, Tanvi Banerjee, Daniel M. Abrams Researchers across different fields, including but not limited to ecology, biology, and healthcare, often face the challenge of sparse data. Such sparsity can lead to uncertainties, estimation difficulties, and potential biases in modeling. Here we introduce a novel data augmentation method that combines multiple sparse time series datasets when they share similar statistical properties, thereby improving parameter estimation and model selection reliability. We demonstrate the effectiveness of this approach through validation studies comparing Hawkes and Poisson processes, followed by application to subjective pain dynamics in patients with sickle cell disease (SCD), a condition affecting millions worldwide, particularly those of African, Mediterranean, Middle Eastern, and Indian descent.

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05.
arXiv (CS.LG) 2026-06-15

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

Authors:
Pekka Malo↗Lauri Viitasaari↗Patrik Nummi↗Antti Suominen↗Ankur Sinha↗Olli Tahvonen↗

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.

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

Toward Entanglement Bootstrap for Conformal Field Theory in Any Dimension

Authors:
Rolando Ramirez Camasca↗Xiang Li↗Ting-Chun Lin↗John McGreevy↗

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

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07.
bioRxiv (Bioinfo) 2026-06-19

Geometric Deep Learning Reveals Ligandable and Cryptic RNA Binding Small Molecule Pockets (SMARTPocket)

Authors:
Thakare↗R. H↗Taghavi↗Wang↗Childs-Disney↗J. L↗Li↗Disney↗M. D↗

RNAs are important therapeutic targets, however identifying ligandable small-molecule binding pockets remains a major barrier to RNA-targeted drug discovery. Here, SMARTPocket, an atomic-level geometric deep learning framework for predicting RNA-small molecule binding pockets directly from three-dimensional structure is introduced. SMARTPocket represents RNA as full-atom point clouds and uses transfer learning from more than 110,000 protein binding interface structures to overcome the limited number of experimentally elucidated RNA-ligand complexes. Across four established single-chain benchmarks and three broader curated benchmarks, SMARTPocket consistently outperforms existing RNA pocket predictors and general biomolecular modeling approaches. The model generalizes to apo RNA structures when conformational changes are modest, identifies cryptic ligandable pockets, and recapitulates experimentally validated binding sites in the SARS-CoV-2 frameshifting element and an RNA aptamer evolved to bind small molecules. SMARTPocket-guided docking further improves near-native RNA-ligand pose recovery and computational efficiency compared with blind docking. These results establish SMARTPocket as a generalizable framework for structure-based identification of ligandable RNA pockets and for accelerating discovery of RNA-targeted small molecules.

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08.
arXiv (CS.AI) 2026-06-11

ATLAS: Active Theory Learning for Automated Science

Authors:
No\'emi \'Eltet\H{o}↗Nathaniel D. Daw↗Kimberly L. Stachenfeld↗Kevin J. Miller↗

arXiv:2606.12386v1 Announce Type: cross Abstract: Advancing scientific understanding through mechanistic modeling requires posing the right experimental questions to yield maximally informative data. To automate this pursuit within cognitive science, we introduce ATLAS (Active Theory Learning for Automated Science), an active learning framework for the data-driven discovery of interpretable behavioral models. ATLAS iterates between generating mechanistic hypotheses–instantiated as a diverse ensemble of sparse neural networks (Disentangled RNNs)–and designing experiments that optimally distinguish between them. We test this approach on the problem of recovering reinforcement learning agents from their behavior in bandit tasks. ATLAS designs varied sequences of qualitatively novel experiments with temporal structure tailored to underlying agent characteristics. The models trained on these experiments are evaluated against a comprehensive set of metrics for mechanistic modeling that capture behavioral, structural, and computational similarity. ATLAS achieves a 5-10x improvement in sample efficiency across all metrics compared to random experimentation, and its performance is further validated against expert-designed experiments derived from literature. These in silico results showcase ATLAS's potential to accelerate human-interpretable insights in cognitive science and other domains where scientific inquiry relies on discovering mechanistic models.

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

GenTrack: A New Generation of Multi-Object Tracking

Authors:
Toan Van Nguyen↗Rasmus G. K. Christiansen↗Dirk Kraft↗Leon Bodenhagen↗

This paper introduces a novel multi-object tracking (MOT) method, dubbed GenTrack, whose main contributions include: first-a hybrid tracking approach employing both stochastic and deterministic manners to robustly handle unknown and time-varying numbers of targets, particularly in maintaining target identity (ID) consistency and managing nonlinear dynamics, second-leveraging particle swarm optimization (PSO) with some proposed fitness measures to guide stochastic particles toward their target distribution modes, enabling effective tracking even with weak and noisy object detectors, third-integration of social interactions among targets to enhance PSO-guided particles as well as improve continuous updates of both strong (matched) and weak (unmatched) tracks, thereby reducing ID switches and track loss, especially during occlusions, fourth-a GenTrack-based redefined visual MOT baseline incorporating a comprehensive state and observation model based on space consistency, appearance, detection confidence, track penalties, and social scores for systematic and efficient target updates, and five-the first ever publicly available source-code reference implementation with minimal dependencies, featuring three variants, including GenTrack Simple, Strengthen, and Super, facilitating flexible reimplementation. Experimental results have shown that GenTrack provides superior performance on standard benchmarks and real-world scenarios compared to state-of-the-art trackers, with integrated implementations of baselines for fair comparison. Potential directions for future work are also discussed. The source-code reference implementations of both the proposed method and compared-trackers are provided on GitHub: https://github.com/SDU-VelKoTek/GenTrack

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10.
arXiv (CS.LG) 2026-06-12

An Empirical Study on Predictive Maintenance for Component X in Heavy-Duty Scania Trucks

Authors:
Valeriu Dimidov↗Sasan Jafarnejad↗Rapha\"el Frank↗

arXiv:2606.12486v1 Announce Type: new Abstract: Condition-based Predictive Maintenance (PdM) for truck fleets has gained momentum in recent years. This maintenance strategy aims to minimize unplanned downtimes and reduce costs by monitoring the health status of vehicles and taking proactive action based on their condition. However, the implementation of condition-based PdM systems is challenging due to the large volume of data generated by the trucks, the inherent complexity of detecting failures through sensor data and the difficulties in finding cost-effective trade-offs in the solution's implementation. In this paper, we define and validate a condition-based PdM methodology built on the assumption that the wear-and-tear state of the monitored component can be represented as a monotonically non-decreasing time series. It involves selecting only the most recent observations from the time series and transforming them into a tabular format for classification using machine learning (ML) models designed for tabular data. Our results indicate that the proposed methodology reduces costs on the Scania Component X dataset compared to current state-of-the-art (SOTA) approaches, while also simplifying the modeling process through AutoML.

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11.
medRxiv (Medicine) 2026-06-22

Panel-level multilocus methylation quantification in native cell-free DNA by PCR-compatible sequential enzymatic processing

Authors:
Vaquer↗C. C↗Wetten↗P. A↗Garcia Samartino↗Rodriguez↗J. D↗Manzino↗N. R↗Perez Ravier↗Angeloni↗A. R↗…

DNA methylation is informative for liquid biopsy, but low template abundance, distributed methylation signals and workflow complexity limit implementation. Here we present Delta-HLD, a PCR-compatible methylation assay platform that quantifies methylation directly in native DNA through sequential hybridization, ligation and methylation-sensitive digestion. The assay co-reports methylation-dependent signals from multiple loci through a shared amplification architecture, generating a single panel-level PCR readout. We established the chemistry, optimized panel size and composition through model-guided experiments, and implemented the assay as a triplex qPCR workflow with per-sample internal process controls. Plasma proof-of-concept analyses showed discriminatory signal in CRC and proof-of-concept transferability to hepatocellular carcinoma. Additional platelet-retaining experiments identified a strategy to increase recovery of analyzable circulating templates while reducing genomic DNA recognition. Delta-HLD provides a compact PCR-compatible framework for low-input methylation analysis without base conversion.

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

Spatially Selective Self-Training for Unsupervised Building Change Detection

Authors:
Wafaa I. M. Hussin↗Zhi Lu↗Anas M. I. Mohammed↗Xiang Zhou↗Ratiba A. H. Abubaker↗Zhenming Peng↗

Unsupervised building change detection aims to learn building-change masks from unlabeled bi-temporal remote sensing images. Existing label-free methods often follow a discrepancy-to-mask paradigm, directly using temporal differences, frozen foundation-model responses, prompt-based outputs, or post-processing results as final change maps. Although these strategies provide annotation-free cues, they do not learn a task-specific building-change detector and remain vulnerable to the gap between generic temporal discrepancies and building-defined structural changes. In practice, such discrepancies are often noisy and task-irrelevant, as appearance shifts, registration errors, and non-building modifications can produce strong but misleading responses. To address this problem, we propose SST-CD, a spatially selective self-training framework that reformulates fully label-free building change detection as end-to-end detector learning under noisy pseudo supervision. SST-CD uses temporal discrepancies as candidate pseudo labels and trains the detector only on spatially reliable pixels, whose reliability is estimated by a local consistency criterion that filters inconsistent regions from supervision. To further stabilize noisy self-training, a lightweight feature adapter recalibrates bi-temporal features, while a prototype-based decoder produces compact change and no-change representations. Experiments on LEVIR-CD, WHU-CD, and DSIFN-CD show that SST-CD achieves F1 scores of 83.08%, 91.69%, and 86.60%, respectively, outperforming existing unsupervised and label-free baselines.

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13.
medRxiv (Medicine) 2026-06-10

Exploratory Assessment of Pulsed-Wave Doppler Representations of Lung Sounds Using Deep Learning: An In-Vitro Phantom Study

Authors:
Saad↗A. A↗Murthi↗S. B↗Boctor↗E. M↗Teeter↗W. A↗Seam↗

The increasing availability of portable ultrasound systems motivates exploration of novel approaches to respiratory signal assessment. In this in-vitro study, we investigate whether pulsed-wave (PW) Doppler ultrasound can capture structured spectral patterns from replayed lung sound recordings. Digitized respiratory sounds were replayed through a tissue-mimicking ultrasound phantom, generating 1,478 PW Doppler spectral images from recordings associated with healthy subjects and several externally labeled disease categories. Exploratory classification experiments using a ResNet-18 architecture demonstrated that these Doppler representations contain learnable differences under controlled conditions. These findings motivate further investigation into PW Doppler as a potential representation of respiratory acoustics.

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

From Explicit Elements to Implicit Intent: A Predefined Library for Auditable Behavioral Inference

Authors:
Liu hung ming↗

We present SemantiClean, a modular framework for extracting structured semantic signals from e-commerce session data and driving pluggable inference targets including purchase intent, customer segmentation, and product affinity through a shared element library. Unlike conventional end-to-end predictors that optimise solely for accuracy, SemantiClean prioritises auditability, structural governance, and sigma=0 reproducibility, explicitly trading marginal predictive gains for element-level transparency and defensible decision trails. Built upon the Online Shoppers Purchasing Intention (OSPI) dataset, the framework organises twenty-four behavioural elements into a four-layer architecture (Functional, Interaction, Systemic, Contextual) and enforces signal quality through three anti-inflation mechanisms: RedundancyGroup contribution caps, TieredPenaltyCalculator bias penalties, and AdaptiveConstraintMode cold-start protection.This report introduces the LLM-Integrated Semantic Inference Engine, a fully implemented two-phase LLM-driven inference architecture that leverages complete element metadata at inference time. All quantitative results reported herein are produced by this engine. Deterministic engine outputs remain fully reproducible (sigma=0); LLM-dependent results (E8, E10) are subject to controlled output variability under fixed provider/model/temperature settings. The gender inference target remains non-functional in the current implementation and is excluded from all quantitative results.

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15.
medRxiv (Medicine) 2026-06-16

AI-assisted continuous-time modelling of metastatic breast cancer reveals subtype-specific spatiotemporal organ interactions

Authors:
Vaisband↗Rinnerthaler↗Gampenrieder↗S. P↗Binder↗Singer↗C. F↗Sliwa↗Roitner↗Hager↗Pichler↗Udovica↗…

Metastatic breast cancer is one of the leading causes of premature mortality among women worldwide. A major barrier to optimal care is the marked heterogeneity in both the temporal dynamics of metastatic spread and the organ-specific spatial distribution of metastases. Existing analyses do not adequately capture this complexity, as they either neglect temporal dependencies or assume independence between metastasic sites. As a result, it remains unclear how established metastases influence subsequent organ-specific dissemination. We address this question using patient-level longitudinal trajectories from a large multicentre real-world metastatic breast cancer registry, combined with an AI-assisted disease-progression modelling framework based on continuous-time Markov chains that represent combinations of metastatic sites and the non-uniform and practice-driven timing of radiologic response assessments, as encountered in routine clinical care. We present a stochastic model determined by progression rates, which are parameterised to capture baseline organ-specific transition risks, patient-level covariates, and pairwise inter-organ interaction effects. High-dimensional treatment information is incorporated using an large language model based encoding. We find that metastatic spread follows non-independent, subtype-specific spatiotemporal patterns, with subtype-specific inter-organ interaction patterns that shape progression. Visceral metastases, particularly lung and liver metastasis, are associated with an increased hazard of subsequent brain metastasis, with effects varying across hormone receptor-positive, HER2-positive, and triple-negative subtypes. Together, these findings define a clinically relevant spatiotemporal architecture of metastatic progression in breast cancer. This framework enables refined mechanism-informed risk stratification and provides a data-driven rationale for targeted and risk-adapted – rather than symptom-triggered – surveillance strategies.

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16.
medRxiv (Medicine) 2026-06-17

Impact of the disposable vape ban in Great Britain: a representative interrupted time-series study 2022-2026

Authors:
Tattan-Birch↗Jackson↗S. E↗Buss↗V. H↗Cox↗Shahab↗Kock↗Bauld↗Brown↗

Objective: To examine changes in vaping and smoking trends following the announcement and implementation of the disposable vape ban in Great Britain. Design: Interrupted time-series analysis of representative monthly cross-sectional data from the Smoking Toolkit Study. Setting: Great Britain. Participants: 118,946 adults ([≥]16y), including 12,042 young adults (16-24y), surveyed between Jan-2022 and Feb-2026. Main outcome measures: Changes in trends in disposable vape use among vapers, and current vaping and smoking prevalence, using seasonally-adjusted generalised additive models with comparisons against a no-ban counterfactual in which pre-announcement trends continued unchanged. Results: The proportion of vapers mainly using disposable devices began to decline following the announcement of the ban in Jan-2024, with the fall accelerating after implementation in June-2025. By Feb-2026, 5.6% (95%CI 4.6-6.9) of adult vapers and 7.1% (5.1-10.1) of young adult vapers mainly used disposables, compared with 62.0% (53.6-71.8) and 63.6% (52.7-76.7), respectively, under a no-ban counterfactual. Increases in vaping prevalence slowed post-announcement and plateaued post-implementation; by Feb-2026, prevalence was lower than the no-ban counterfactual in adults (13.6% v 18.8%; difference -5.2 percentage points, 95%CI -7.1 to -3.3) and young adults (27.8% v 39.1%; -11.3, -18.6 to -4.1). Declines in smoking prevalence stalled among adults and reversed among young adults post-announcement, before shifting downward again post-implementation; by Feb-2026, smoking prevalence was similar to the no-ban counterfactual in adults (difference +0.9 percentage points, -0.5 to +2.2) but possibly higher in young adults (+3.3, -0.5 to +7.1). Conclusions: The disposable vape ban in Great Britain was associated with substantial changes after both announcement and implementation, including a marked reduction in disposable vape use and a slowing then plateauing of growth in overall vaping prevalence. However, declines in smoking also temporarily slowed–and among young adults, reversed–after the announcement, before downward trends resumed after implementation.

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

Multimodal Concept Bottleneck Models

Authors:
Tongqing Shi↗Ge Yan↗Tuomas Oikarinen↗Tsui-Wei Weng↗

arXiv:2606.19882v1 Announce Type: cross Abstract: Concept Bottleneck Models (CBMs) enhance the interpretability of deep learning networks by aligning the features extracted from images with natural concepts. However, existing CBMs are constrained in their ability to generalize beyond a fixed set of predefined classes and the risk of non-concept information leakage, where predictive signals outside the intended concepts are inadvertently exploited. In this paper, we propose Multimodal Concept Bottleneck Model (MM-CBM) to address these issues and extend CBMs into CLIP. MM-CBM utilizes dual Concept Bottleneck Layers (CBLs) to align both the image and text embeddings into interpretable features. This allows us to perform new vision tasks like zero-shot classification or image retrieval in an interpretable way. Compared to existing methods, MM-CBM achieves up to 51.26% accuracy improvement on average across four standard benchmarks. Our method maintains high accuracy, staying within ~5% of black-box performance while offering greater interpretability.

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18.
arXiv (math.PR) 2026-06-17

Moment generating function of the tacnode process

Authors:
Taiyang Xu↗

arXiv:2606.17771v1 Announce Type: cross Abstract: The tacnode process is a universal determinantal point process arising in non-intersecting particle systems and random tiling models. In this paper, we study the generating function for the counting functions of the tacnode process on a union of $m$ intervals, $m\in\mathbb{N}^{+}$. Our first result provides an integral representation for the $m$-point generating function in terms of the Hamiltonian governing a system of $8m+4$ coupled differential equations. Combined with several differential identities for this Hamiltonian, the representation yields the large gap asymptotics, up to and including the constant term. As further applications, we obtain asymptotic formulae for the expectations, variances, and covariances of the counting functions, and establish a central limit theorem for their joint fluctuations. These results extend the previously known $1$-point theory for the tacnode process to the multi-interval setting with multiple discontinuities.

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

From Noise to Intent: Anchoring Generative VLA Policies with Residual Bridges

Authors:
Yiming Zhong↗Yaoyu He↗Zemin Yang↗Pengfei Tian↗Yifan Huang↗Qingqiu Huang↗Xinge Zhu↗Yuexin Ma↗

arXiv:2604.21391v2 Announce Type: replace-cross Abstract: Bridging high-level semantic understanding with low-level physical control remains a persistent challenge in embodied intelligence, stemming from the fundamental spatiotemporal scale mismatch between cognition and action. Existing generative VLA policies typically adopt a "Generation-from-Noise" paradigm, which disregards this disparity, leading to representation inefficiency and weak condition alignment during optimization. In this work, we propose ResVLA, an architecture that shifts the paradigm to "Refinement-from-Intent." Recognizing that robotic motion naturally decomposes into global intent and local dynamics, ResVLA utilizes spectral analysis to decouple control into a deterministic low-frequency anchor and a stochastic high-frequency residual. By anchoring the generative process on the predicted intent, our model focuses strictly on refining local dynamics via a residual diffusion bridge. Extensive simulation experiments show that ResVLA achieves competitive performance, strong robustness to language and robot embodiment perturbations, and faster convergence than standard generative baselines. ResVLA also demonstrates strong performance in real-world robot experiments.

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20.
arXiv (CS.LG) 2026-06-17

Randomized Midpoint Method for Log-Concave Sampling under Constraints

Authors:
Yifeng Yu↗Shijie Zhang↗Lu Yu↗

arXiv:2405.15379v3 Announce Type: replace-cross Abstract: In this paper, we study the problem of sampling from log-concave distributions supported on convex and compact sets, with a particular focus on the randomized midpoint discretization of both overdamped and kinetic Langevin diffusions in constrained domains. We revisit the proximal framework for handling constraints through projection operators and develop a more general formulation that encompasses Euclidean, Bregman, and Gauge projections. The resulting smooth approximation allows a unified and tractable analysis of Langevin algorithms and their variants under constraints. Within this framework, we establish convergence guarantees in Wasserstein-$q$ $(q\geqslant 1)$ distances between the smooth surrogate and the target distribution. We further derive complementary lower bounds, showing that the results are near-optimal in order. Building upon this tight approximation analysis, we obtain new convergence guarantees for the randomized midpoint Langevin algorithms and refined bounds for both vanilla and kinetic Langevin Monte Carlo methods under constraints, thereby advancing the theoretical understanding of constrained diffusion-based sampling.

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21.
arXiv (CS.CL) 2026-06-11

ISE: An Execution-Grounded Recipe for Multi-Turn OS-Agent Trajectories

Authors:
Siyuan Luo↗Nairong Zheng↗Lin Zhou↗Tiankuo Yao↗Shengyou Yuan↗Haojia Yu↗Cong Pang↗Jiapeng Luo↗Lewei Lu↗

Training capable OS agents requires data that simultaneously captures structured user intents, multi-turn task delegation, and grounded tool execution–properties absent from existing datasets. We propose ISE (Intent -> Simulate -> Execute), a three-stage synthesis paradigm that addresses these gaps jointly. Stage 1 constructs roughly 50000 structured intents via a 4D framework (Persona x Domain x Task x Complexity); after deduplication the pool contains 43956 unique intents and attains a Vendi Score of 61.57 over the entire pool on mpnet-base-v2 embeddings (cosine kernel, q=1). Stage 2 drives multi-turn user-agent interaction through a role-locked user simulator that grounds each user turn in actual execution outcomes, producing 23132 complete trajectories averaging 8.12 user turns and 68.24 total dialogue turns. Stage 3 runs every tool call inside a live, isolated OS workspace, generating authentic failure-recovery dynamics instead of simulated responses. Fine-tuning on ISETrace improves ClawEval pass@1 from 19.3 to 37.7 using Qwen3-8B on agent tool-use tasks with a standard protocol. This result outperforms zero-shot GPT-4o and the larger Qwen3-32B base model which is four times bigger. An ablation on Stage 2 proves multi-turn simulation brings a large portion of the performance gain. We release all source code and dataset at https://github.com/Valiere01/ISE-Trace.

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

MolGraphBench: A Benchmark of GNN Architectures for Molecular Regression Tasks

Authors:
Rajan↗Ishaan Gupta↗

arXiv:2602.20573v3 Announce Type: replace Abstract: Molecules are often represented as SMILES strings, which can be readily converted to hand-crafted descriptors or fingerprints (FP) for molecular property prediction. Research has demonstrated that SMILES can be converted to molecular graphs $G = (V, E)$, with atoms as nodes $(V)$ and bonds as edges $(E)$. These molecular graphs can subsequently be used to train graph neural networks (GNN) models. Despite the recent surge in application of GNN (existing and novel architectures) for molecular property prediction, a rigorous benchmark is still lacking. We propose MolGraphBench, a comprehensive benchmark of four commonly used GNN models for molecular property prediction. Benchmarking results demonstrate graph convolutional network (GCN) and graph isomorphism networks (GIN) as the optimal GNN architectures for molecular graph regression tasks, based on absolute performance, training efficiency, transfer learning and prediction quality. The study also indicates the non-complementary nature of molecular fingerprints in the fusion (GNN-FP) framework. Furthermore, our GNN models achieved performance superior or comparable performance to current state-of-the-art GNN baselines across three datasets (GCN with RMSE of $0.518$ on B3DB, GIN-FP with RMSE of $1.022$ on FreeSolv and GIN with MAE of $63.783$ on RT datasets). Findings from this study indicate that type of GNN-layer, should be treated as a tunable hyperparameter rather than a fixed design choice to achieve superior performance.

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23.
arXiv (CS.AI) 2026-06-12

PolyFlow: Safe and Efficient Polytope-Constrained Flow Matching with Constraint Embedding and Projection-free Update

Authors:
Jianming Ma↗Qiyue Yang↗Yang Zhang↗Liyun Yan↗Zhanxiang Cao↗Yazhou Zhang↗Yue Gao↗

arXiv:2606.13400v1 Announce Type: cross Abstract: While flow-based generative models have demonstrated strong performance across a wide range of domains, deploying them in safety-critical physical systems remains challenging due to strict constraint requirements. Existing approaches typically enforce safety through post-hoc corrections, which incur substantial computational overhead and may distort the learned distribution. We propose PolyFlow, a polytope-constrained flow matching framework that embeds constraints directly into the model and flow dynamics. PolyFlow introduces a discrete-time flow formulation and a projection-free architecture, which eliminate the discretization error and guarantee strict satisfaction of arbitrary polyhedral constraints, without the need for expensive iterative solvers. Experimental results show that PolyFlow achieves zero constraint violation while maintaining high distributional fidelity across a range of planning and control tasks. Compared to state-of-the-art constrained generation baselines, PolyFlow significantly reduces inference latency and demonstrates a favorable trade-off between safety, efficiency, and generative quality. Code is available on https://github.com/MJianM/PolyFlow.

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24.
bioRxiv (Bioinfo) 2026-06-13

Testing the reliability of AI-generated protein structures

Authors:
Xu↗Salzberg↗

Although AlphaFold2 and its competitors have demonstrated remarkable abilities to predict protein structure, more work is needed to explore the limitations of these methods. Here we investigated the reliability of AlphaFold2 and ColabFold by creating a set of realistic but false protein sequences, using ColabFold to predict their structure, and then asking how often the program produces a high-scoring structure for a sequence that does not represent a protein. We determined that AlphaFold2 has a very small but non-zero false positive rate, estimated here at approximately 1 in 435 if one uses a threshold pLDDT score of 70 to define positive predictions. We also discovered, serendipitously, that some high-scoring sequences in the human genome were not false positives, but instead were previously unknown and un-annotated pseudogenes. These latter findings indicate that some well-established human annotations of protein-coding genes may have incorrectly extended the 5-prime untranslated regions too far. They also suggest that the false positive rate of AlphaFold2 is low enough that almost any high-scoring structure, even in a noncoding region, is worthy of further investigation.

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

Agent Skill Evaluation and Evolution: Frameworks and Benchmarks

Authors:
Kexin Ding↗Yang Zhou↗Can Jin↗Feng Tong↗Mu Zhou↗Dimitris N. Metaxas↗

The growth of agent skills has transformed how agentic systems are built, evaluated, and deployed. As skill libraries continue to scale, rigorous evaluation becomes critical to ensuring their utility, quality, and safety in real-world applications. Consequently, the field is undergoing an emerging paradigm shift from isolated skill creation to automated, evaluation-driven skill evolution. In this survey, we systematically examine the landscape of skill evolution and evaluation beyond foundational skill creation. We categorize evolution into four distinct paradigms, spanning execution feedback, trajectory distillation, compression, and reinforcement learning, showing how each element contributes to improving skill utility and reliability. We also provide an analysis of six skill-centric benchmark categories, identifying structural gaps in benchmark coverage, trade-offs, and metric richness to advance skill research. Finally, we identify open directions for building skill ecosystems that are generalizable, efficient, and verifiably safe. The project URL is https://github.com/Cassie07/AgentSkill_Survey

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