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01.
arXiv (math.PR) 2026-06-18

Probabilistic representation and classical solutions of wave equations with complex polynomial nonlinearities

作者:
Joshua J. Y. Chan↗Nicolas Privault↗

arXiv:2606.18919v1 Announce Type: cross Abstract: We review the probabilistic representation of solutions of wave equations with polynomial nonlinearities in spatial dimensions d=1,2,3 using stochastic branching processes. Under regularity assumptions on the initial data, we derive conditions ensuring the integrability of the corresponding Monte Carlo estimator, and the existence and smoothness of mild and classical solutions. We also present numerical results and comparisons with grid-based algorithms for the solution of nonlinear wave equations.

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

GEAR-VLA: Learning Geometry-Aware Action Representations for Generalizable Robotic Manipulation

作者:
Yuan Zhang↗Shiqi Zhang↗Yedong Shen↗Shuai Dong↗Jiajun Deng↗Xin Zhang↗Yuxuan Gao↗Jiajia Wu↗Xin Nie↗Zhiyuan Cheng↗Jianmin Ji↗Yanyong Zhang↗…

arXiv:2606.08530v2 Announce Type: replace-cross Abstract: Vision-Language-Action (VLA) models achieve strong benchmark performance but still struggle in real-world deployment with unseen objects, background shifts, and different robot embodiments. We argue that this stems from the lack of a unified geometry-aware manipulation representation, leaving existing VLAs vulnerable to low-level trajectory supervision, misaligned 3D features, and embodiment differences. To address this, we propose GEAR-VLA, a VLA framework for learning unified geometry-aware action representations for generalizable robotic manipulation. GEAR-VLA adopts coarse-to-fine action learning, where multi-source embodied pretraining equips the VLM with embodied reasoning and discrete action understanding before latent action tokens connect action semantics to a gradient-decoupled DiT continuous action expert. It further performs semantic-aligned 3D integration by aligning a trainable 3D spatial backbone with the VLA representation while freezing the original VLM-aligned visual pathway. To share this representation across robots, GEAR-VLA uses embodiment canonicalization, where embodiment-aware states and embodiment-invariant actions confine robot differences to the low-level interface. Extensive simulation and real-world experiments demonstrate strong generalization: GEAR-VLA achieves state-of-the-art performance on LIBERO, zero-shot LIBERO-Plus, and RoboTwin 2.0, reaches 85.9% success on AgileX and 81.0% on the pretraining-unseen LDT-01 embodiment, and obtains 90.1% success on a 6,360-trial universal grasping benchmark with 212 unseen objects. Code and models will be released at https://github.com/babynabeauty/GEAR-VLA.

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03.
arXiv (CS.CV) 2026-06-16

Texture-Shape Bias Balancing for Robust Synthetic-to-Real Semantic Segmentation in Automotive NIR Imagery

作者:
Felix Stillger↗Ben Hamscher↗Lukas Hahn↗Annika M\"utze↗Tobias Meisen↗Kira Maag↗

Semantic segmentation is a fundamental component of visual perception in modern automotive systems, enabling pixel-level scene understanding. Near-Infrared imaging (NIR) offers stable detection under difficult illumination conditions, but the development of domain-specific semantic segmentation models remains challenging due to the lack of high-quality annotated data from real-world scenarios. Synthetic datasets offer a scalable alternative, but models trained on synthetic images often suffer performance degradation when transferred to real domains. We present the first systematic study on synthetic to real domain adaptation for semantic segmentation in NIR images in the automotive domain. We propose a generative augmentation framework that transforms synthetic images into realistic NIR-style variants via our introduced target style adaptation (TSA). TSA fine-tunes a latent diffusion model via low-rank adaptation on a small curated set of real NIR images and applies it to synthetic training data using structure-preserving multi-signal conditioning. To reduce texture bias and improve segmentation robustness, we further apply a Voronoi-based style diversification strategy (VSD) that modifies the original textures while preserving scene geometry. Experiments with multiple model architectures on NIR data from vehicle interiors and street scenes show that balancing inductive bias during training leads to noticeably more robust semantic segmentation and effectively reduces the domain gap in our real-world scenarios by up to 63.6% on exterior and 28.4% on interior data. The code is available at GitHub.

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04.
arXiv (CS.LG) 2026-06-16

In-Context Learning Is Provably Bayesian Inference: A Generalization Theory for Meta-Learning

作者:
Tomoya Wakayama↗Taiji Suzuki↗

arXiv:2510.10981v3 Announce Type: replace-cross Abstract: This paper develops a finite-sample statistical theory for in-context learning (ICL), analyzed within a meta-learning framework that accommodates mixtures of diverse task types. We introduce a principled risk decomposition that separates the total ICL risk into two orthogonal components: Bayes Gap and Posterior Variance. The Bayes Gap quantifies how well the trained model approximates the Bayes-optimal in-context predictor. For a uniform-attention Transformer, we derive a non-asymptotic upper bound on this gap, which explicitly clarifies the dependence on the number of pretraining prompts and their context length. The Posterior Variance is a model-independent risk representing the intrinsic task uncertainty. Our key finding is that this term is determined solely by the difficulty of the true underlying task, while the uncertainty arising from the task mixture vanishes exponentially fast with only a few in-context examples. Together, these results provide a unified view of ICL: the Transformer selects the optimal meta-algorithm during pretraining and rapidly converges to the optimal algorithm for the true task at test time.

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05.
arXiv (CS.CL) 2026-06-18

Human-AI Coevolution Dynamics: A Formal Theory of Social Intelligence Emergence Through Long-Term Interaction

作者:
Jingyi Zhou↗Senlin Luo↗Haofan Chen↗

Current conversational AI systems have made significant progress in language generation, personalization, and long-context interaction. However, most existing methods model social behavior through isolated components such as emotion modeling, memory retrieval, or persona conditioning, lacking a unified framework to explain the emergence of stable social relationships and social intelligence in long-term human-AI interaction.To address this, we propose the Human-AI Coevolution Dynamics Framework (HACD-H), a formal model of human-AI interaction as a self-organizing social cognitive system. HACD-H integrates emotional adaptation, relational organization, social memory, and personality consistency into a unified dynamical framework and introduces principles including multi-timescale social cognition, relational attractors, trust basins, developmental phase transitions, and social cognitive energy dynamics.We construct a conversational dataset with approximately 14,700 interaction turns and develop a theory-driven empirical evaluation framework. Results reveal a hierarchy of temporal persistence in social cognition, stable relational attractors, phase-transition-like developmental patterns, and a structured social cognitive energy landscape. Social intelligence shows a significant negative correlation with social cognitive energy (r = -0.391, p < 0.001), and interaction trajectories exhibit progressive energy reduction over time.These findings suggest that social intelligence emerges from long-term social cognitive coevolution rather than isolated conversational capabilities. HACD-H provides a unified theoretical foundation for modeling adaptive human-AI social interaction and developing socially intelligent AI systems.

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06.
arXiv (math.PR) 2026-06-19

The systole of random hyperbolic 3-manifolds

作者:
Anna Roig-Sanchis↗

arXiv:2406.11783v2 Announce Type: replace-cross Abstract: We study the systole of a model of random hyperbolic 3-manifolds introduced by Petri and Raimbault, answering a question posed in that same article. These are compact manifolds with boundary constructed by randomly gluing truncated tetrahedra along their faces. We prove that the limit, as the volume tends to infinity, of the expected value of their systole exists and we give a closed formula of it. Moreover, we compute a numerical approximation of this value.

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07.
arXiv (CS.CV) 2026-06-17

BusterX++: Towards Unified Cross-Modal AI-Generated Content Detection and Explanation with MLLM

作者:
Haiquan Wen↗Tianxiao Li↗Zhenglin Huang↗Yiwei He↗Guangliang Cheng↗

The rapid advancement of generative AI has substantially improved image and video synthesis, amplifying the risk of multimodal visual misinformation. Recent MLLMs have shown promise for transparent AI-generated content detection through reasoning and explanation, yet existing approaches largely treat image and video forensics as isolated tasks, leaving cross-modal synergies underexplored. To address this, we present BusterX++, a unified MLLM for joint image and video detection with interpretable reasoning. We also introduce GenBuster-Bench++, a meticulously curated, difficulty-aligned benchmark containing balanced image and video samples spanning recent generation models and diverse real-world scenarios. Using this controlled setting, we revisit the widely adopted $SFT \rightarrow RL$ post-training paradigm. Notably, our findings demonstrate that a single-stage, pure RL strategy driven strictly by sparse outcome rewards consistently matches or surpasses a strong SFT+RL baseline across both unified and single-modality settings. Our key insight reveals that SFT imposes lower policy entropy, which restricts the policy search space and dampens exploratory freedom. In contrast, single-stage pure RL maintains higher policy entropy throughout training, effectively unlocking the spontaneous emergence of cross-modal capability transfer between image and video forensics. Extensive experiments demonstrate that BusterX++ achieves state-of-the-art performance, highlighting the powerful potential of RL for unified cross-modal visual reasoning.

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08.
arXiv (quant-ph) 2026-06-12

Metabolic quantum limit to the information capacity of magnetoencephalography

作者:
E. Gkoudinakis↗S. Li↗I. K. Kominis↗

arXiv:2511.06401v3 Announce Type: replace-cross Abstract: Magnetoencephalography measures the magnetic fields generated by neural currents using quantum sensors such as superconducting quantum interference devices and atomic magnetometers. Here we combine the energy resolution limit of magnetic sensing with the metabolic power available to neural currents to derive a technology-independent bound on the information capacity of MEG. The bound factorizes into geometry, metabolism, and Planck's constant, and gives an estimated maximum information rate of 2.2~Mbit/s for representative human-brain parameters. Further, we show that the externally measurable magnetic field has a finite angular bandwidth, with high multipole components being geometrically attenuated and falling below the quantum-limited noise floor. This yields an information-limited spatial scale of order $1~cm$ and renders the accessible measurement space effectively finite-dimensional. The energy resolution limit therefore defines an information-theoretic Nyquist scale for magnetoencephalography, beyond which denser spatial sampling provides redundant measurements rather than additional recoverable information. Since the energy resolution limit also makes the noise variance grow linearly with measurement bandwidth, temporal and spatial bandwidths compete, producing a fundamental spatio-temporal trade-off. These results show how quantum-limited measurements constrain the observable complexity and information content of noninvasive brain imaging, providing a quantitative link between fundamental physics and neuroscience.

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09.
arXiv (CS.CL) 2026-06-17

Conformal Path Reasoning: Trustworthy Knowledge Graph Question Answering via Path-Level Calibration

作者:
Shuhang Lin↗Chuhao Zhou↗Xiao Lin↗Zihan Dong↗Kuan Lu↗Zhencan Peng↗Jie Yin↗Dimitris N. Metaxas↗

Knowledge Graph Question Answering (KGQA) offers grounded, interpretable reasoning, but existing methods often fail to provide reliable coverage guarantees over retrieved answers. While Conformal Prediction (CP) offers a principled framework for producing prediction sets with statistical guarantees, prior conformal KGQA methods suffer from two critical pitfalls: violated coverage guarantees due to invalid calibration, and weak score discriminability that yields excessively large prediction sets. We propose Conformal Path Reasoning (CPR), a novel trustworthy KGQA framework built on two key innovations. First, query-level conformal calibration over path-level scores preserves exchangeability to ensure valid coverage guarantees. Second, we introduce the Residual Conformal Value Network (RCVNet), a lightweight module trained via PUCT-guided exploration to learn discriminative path-level nonconformity scores. Extensive experiments show that CPR significantly improves the Empirical Coverage Rate by 45% while reducing prediction set size by 52% on average over conformal baselines across benchmark datasets, highlighting its effectiveness for reliable conformal reasoning over knowledge graphs.

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10.
arXiv (CS.AI) 2026-06-11

PermDoRA – Understanding Adapter Interference in Language Models: Limits of Parameter-Space Geometry

作者:
Gowtham Sivaramakrishnan↗Sarvesha Kumar Kombaiah Seetha↗Kishan Gupta Balaji↗Santhosh Baradwaj Vaduvur Ranganathan↗

arXiv:2606.11262v1 Announce Type: cross Abstract: Access control in large language models (LLMs) requires modular mechanisms to enable domain-specific behavior without retraining or cross-domain interference. A common hypothesis is that interference during adapter composition arises from overlap in linear parameter updates, suggesting that enforcing orthogonality or directional independence should improve multi-domain performance. We test this hypothesis using DoRA-RBAC, a hierarchical adapter composition framework based on weight-decomposed low-rank adaptation. We compare conventional Euclidean merging with a geometry-aware Riemannian-inspired merging strategy that approximates the Frechet mean via normalized directional averaging across multiple QA benchmarks (GPQA, PubMedQA, SimpleQA, WMDP) on LLaMA-3.1-8B and Mistral-7B. Our results show that while single-domain performance matches LoRA, geometry-aware merging provides no consistent advantage over standard averaging in multi-domain settings.Diagnostic analysis further reveals that angular alignment and orthogonality of adapter updates are weak predictors of composition performance. These findings suggest that adapter interference is not governed primarily by parameter-space geometry, but is instead consistent with interactions in shared nonlinear representations.

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11.
arXiv (CS.AI) 2026-06-17

Riemann-Bench: A Benchmark for Moonshot Mathematics

作者:
Suhaas Garre↗Erik Knutsen↗Sushant Mehta↗Edwin Chen↗

arXiv:2604.06802v2 Announce Type: replace Abstract: Recent AI systems have achieved gold-medal-level performance on the International Mathematical Olympiad, demonstrating remarkable proficiency at competition-style problem solving. However, competition mathematics represents only a narrow slice of mathematical reasoning: problems are drawn from limited domains, require minimal advanced machinery, and can often reward insightful tricks over deep theoretical knowledge. We introduce Riemann-Bench, a private benchmark of expert-curated problems designed to evaluate AI systems on research-level mathematics that goes far beyond the olympiad frontier. Problems are authored by Ivy League mathematics professors, graduate students, and PhD-holding IMO medalists, and routinely took their authors weeks to solve independently. Each problem undergoes double-blind verification by two independent domain experts who must solve the problem from scratch, and yields a unique, closed-form solution assessed by programmatic verifiers. We evaluate frontier models as unconstrained research agents, with full access to coding tools, search, and open-ended reasoning, using an unbiased statistical estimator computed over 100 independent runs per problem. Our results reveal that all frontier models currently score below 10%, exposing a substantial gap between olympiad-level problem solving and genuine research-level mathematical reasoning. By keeping the benchmark fully private, we ensure that measured performance reflects authentic mathematical capability rather than memorization of training data.

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

Probabilistic Contrastive Pretraining for Multi-task ADME Property Prediction

作者:
Yifan Xue↗Srimukh Prasad Veccham↗Saee Paliwal↗Tyler Shimko↗Micha Livne↗

arXiv:2606.11508v1 Announce Type: new Abstract: Accurate prediction of absorption, distribution, metabolism, and excretion (ADME) properties is critical to drug discovery, but remains challenging because ADME endpoints are noisy, interdependent, and often data-limited. We propose a molecular graph-transformer pretraining framework that combines chemistry-specific self-supervision with contrastive mutual information machine learning (cMIM). Our method encodes molecular graphs into latent variables, reconstructs SMILES strings from the graph-derived latent codes, and augments the contrastive objective with domain-specific self-supervised chemistry tasks. Rather than treating these tasks as auxiliary regularizers with separately tuned loss weights, we formulate reconstruction, contrastive discrimination, and chemistry-specific supervision as unit-weighted log-probability factors in a single probabilistic latent-variable objective. For fine-tuning, we propose a multi-task GNN readout architecture with task-specific multilayer perceptron heads, preserving shared representation learning while mitigating negative transfer and improving the modeling of heterogeneous, nonlinear task relationships. Across Biogen, ExpansionRX, and ChEMBL-MT, the resulting Contrastive KERMT pretraining improves over the KERMT baseline by 7.6%, 9.9%, and 9.5% respectively (averaged over significantly-improved endpoints). Adding ADME-adjacent molecules to the pretraining corpus further improves transfer, and the contrastive component sharpens chemically meaningful latent neighborhoods.

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13.
bioRxiv (Bioinfo) 2026-06-16

Programmatic access to ICTV virus taxonomy through a public ontology API

作者:
Lieutaud↗McLaughlin↗Hendrickson↗R. C↗David↗Parkinson↗Lefkowitz↗Dempsey↗Coutard↗

The International Committee on Taxonomy of Viruses (ICTV) is responsible for developing and maintaining a universal virus taxonomy. As the reference framework for organising the viral world, it is essential for virology and related fields. Despite its widespread use in research and public health, programmatic access to ICTV taxonomy has remained limited, posing challenges for integration, versioning, and interoperability across databases and bioinformatics resources requiring up-to-date virus taxonomy. To address this, we developed a public and sustainable solution leveraging ontology-based APIs. Successive ICTV Master Species List (MSL) releases were transformed into a structured ontology and deployed as a unified representation through the Ontology Lookup Service (OLS). The framework also provides ICTV-NCBI mappings and helper libraries for integration into downstream systems. This enables, for the first time, public programmatic retrieval of current and historical virological taxon names, taxonomic relationships, metadata, and persistent identifiers through stable endpoints. More broadly, this work illustrates a general strategy for transforming structured biological datasets into semantically enriched graph resources exposed through scalable public APIs. These developments enhance interoperability, reduce manual curation, and support FAIR-aligned taxonomic data management in virology and pandemic preparedness.

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

SPADE: Split-and-Delay Embeddings for Autoregressive High-Granularity Calorimeter Simulation

作者:
Joschka Birk↗Frank Gaede↗Anna Hallin↗Gregor Kasieczka↗Martina Mozzanica↗Henning Rose↗

arXiv:2606.11304v1 Announce Type: cross Abstract: We introduce SPADE (SPlit And Delay Embeddings), an autoregressive transformer for sequences whose tokens carry multiple features. Rather than embedding these features jointly, SPADE embeds them independently. Delaying each feature stream relative to the previous one allows intra-token correlations to be learned by the standard self-attention mechanism. Applied to point-cloud calorimeter shower generation in the highly granular ILD detector, SPADE is competitive with the state of the art AllShowers model on photon showers, and substantially outperforms its VQ-VAE-based predecessor OmniJet-$\alpha_C$. The mechanism is applicable to any generative task with multi-feature tokens, enabling LLM-style pretraining workflows for higher-dimensional data.

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15.
arXiv (CS.LG) 2026-06-19

SEAGAN: domain-Specific and Edge-Aware Graph Attention Network for Dynamic Plant Processes

作者:
Antriksh Srivastava↗Soumyashree Kar↗

arXiv:2606.19623v1 Announce Type: new Abstract: Graph neural networks (GNNs) provide a flexible framework for learning from scientific data linked through physical, biological, or functional relationships. One promising domain is plant physiology, where measured responses often arise from multiple interacting processes whose exact separation remains difficult even with manual intervention. In plant physiology, a key example is the A-Ci curve, which relates net CO2 assimilation rate (Anet) to leaf intercellular CO2 concentration (Ci) and is used to estimate photosynthetic parameters in leaf and crop-canopy models. However, reliable estimation requires identifying the active biochemical limitation state at each curve point, which remains a major source of uncertainty. Here, we formulate limitation-state identification along A-Ci curves as a graph-based node classification problem, with curve points as nodes. Domain-specific graph representations are created using distance-based k-nearest-neighbor (kNN) and auxiliary-signal-guided (ASG) connectivity, with edge attributes encoding pairwise relations. The framework was evaluated against conventional learning baselines, graph-based architectures, and an automated fitting-based benchmark. Results on a large synthetic dataset with known ground-truth limitation states show that graph-based models improve classification, particularly near biochemical transition regions. The best-performing configuration, SEAGAN (domain-Specific and Edge-Aware Graph Attention Network for Dynamic Plant Processes), integrates process-aware node features, edge attributes, kNN connectivity, and graph attention with weighted cross-entropy loss, achieving an F1-score of 0.857 and an accuracy of 0.882. The results show that representing A-Ci curves as graphs improves biochemical limitation-state analysis, with edge-aware attention over local kNN neighborhoods providing the most effective strategy.

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

PhysMetrics.Weather: An Evaluation Framework for Physical Consistency in ML Weather Models

作者:
Emma Kasteleyn↗Timo Maier↗Axel Lauer↗Veronika Eyring↗Pierre Gentine↗Ana Lucic↗

arXiv:2606.10642v2 Announce Type: replace Abstract: Machine learning weather prediction (MLWP) models have achieved impressive forecasting performance at a small fraction of the computational costs required for traditional physics-based methods. However, they are primarily (1) data-driven and (2) evaluated using pixel-wide error metrics (e.g., RMSE), so there are no guarantees that their forecasts are consistent with known physical laws. We introduce PhysMetrics$.$Weather, an evaluation framework that assesses the physical realism of MLWP models across three types of metrics: conservation, spectral, and dynamical. By quantifying physical realism, this tool guides the development of physics-informed architectures and helps evaluate whether MLWP models are reliable for operational use. Our framework is available on Github at https://github.com/Emmakast/PhysMetrics.Weather.

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

Software Delegation Contracts: Measuring Reviewability in AI Coding-Agent Work

作者:
Vincent Schmalbach↗

arXiv:2606.17099v1 Announce Type: cross Abstract: AI coding agents increasingly accept assigned software tasks, modify repositories under bounded authority, and return work packages for review. Prior work proposed the software delegation contract, covering the task, authority, returned work package, and acceptance context, as the unit of analysis for delegated coding work, but did not measure its effects. This paper reports a controlled pilot study of explicit delegation contracts for coding agents. We built a dependency-free TypeScript API task environment with seeded defects and documentation gaps, authored ten tasks across five families, and ran 64 agent executions across two model tiers under three conditions: a realistic issue-style prompt, an explicit delegation contract, and a contract with a required evidence bundle. Each run was scored with hidden acceptance tests, mutation checks, and scope analysis, then reviewed by three independent condition-blinded model-based reviewers using a fixed rubric, for 192 reviews. Explicit contracts did not improve objective task outcomes: all 64 runs passed hidden acceptance checks, with zero scope violations. They did improve reviewability. Evidence sufficiency improved in 22 of 30 paired comparisons and worsened in none (+0.83 on a 5-point scale, p < 0.0001, Cliff's delta = 0.66); reviewer ambiguity decreased (p = 0.035); changed-file lists, known-limitations sections, residual-risk sections, and reviewer checklists appeared mostly or only when demanded by the contract. Contracts cost +13% agent tokens and +38% wall-clock time, with larger effects for the weaker model tier. On these small tasks, delegation contracts bought reviewability rather than correctness.

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

ActMem: Bridging the Gap Between Memory Retrieval and Reasoning in LLM Agents

作者:
Xiaohui Zhang↗Zequn Sun↗Chengyuan Yang↗Yaqin Jin↗Yazhong Zhang↗Wei Hu↗

Memory management is essential for LLM agents in long-term interactions. Current memory frameworks typically treat agents as passive ``recorders'' and retrieve information without understanding its deeper implications. They may fail in scenarios requiring reasoning and complex decision-making. To bridge this critical gap, we propose a novel actionable memory framework called ActMem that integrates memory retrieval with active causal reasoning. ActMem transforms unstructured dialogue history into a structured causal and semantic graph. By leveraging counterfactual reasoning and commonsense completion, it enables agents to deduce implicit constraints and resolve potential conflicts between past states and current intentions. Furthermore, we introduce a comprehensive dataset ActMemEval to evaluate agent reasoning capabilities in logic-driven scenarios, moving beyond the fact-retrieval focus of existing memory benchmarks. Experiments demonstrate that ActMem significantly outperforms baselines in handling complex, memory-dependent tasks, paving the way for more consistent and reliable intelligent assistants.

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19.
arXiv (CS.AI) 2026-06-11

Precomputing Multi-Agent Path Replanning Using Temporal Flexibility

作者:
Issa Hanou↗Eric Kemmeren↗Devin Wild Thomas↗Mathijs de Weerdt↗

arXiv:2601.04884v3 Announce Type: replace Abstract: Executing a multi-agent plan can be challenging when an agent is delayed, because this typically creates conflicts with other agents. So, we need to quickly find a new safe plan. Replanning only the delayed agent often does not yield an efficient plan, and sometimes cannot even yield a feasible one. On the other hand, replanning other agents may lead to a cascade of changes and delays, and it is computationally expensive. We show how to efficiently replan a single delayed agent by tracking and using the temporal flexibility of other agents while avoiding cascading delays. This flexibility is the maximum delay that the agent can take without changing the order with agents other than the initially delayed agent, or further delaying other agents. Our algorithm, FlexSIPP, precomputes all possible plans for the delayed agent and returns the changes to the other agents within the given scenario. We demonstrate our method in a real-world case study of replanning trains in the densely-used Dutch railway network and in the MovingAI MAPF benchmark set. Our experiments show that FlexSIPP provides effective solutions relevant to real-world adjustments, and within a reasonable timeframe.

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

STaR-DRO: Stateful Tsallis Reweighting for Group-Robust Structured Prediction

作者:
Samah Fodeh↗Ganesh Puthiaraju↗Elyas Irankhah↗Afshan Khan↗Sreeraj Ramachandran↗Linhai Ma↗Srivani Talakokkul↗Sarah Schellhorn↗

arXiv:2604.09737v2 Announce Type: replace-cross Abstract: Structured prediction with large language models requires outputs that are label-accurate, ontology-constrained, structurally valid, and evidence-grounded under label imbalance and heterogeneous group difficulty. We present a unified framework for ontology-constrained generation. First, we introduce a modular prompt-engineering architecture combining XML-style structure, expert disambiguation rules, chain-of-thought reasoning, metadata-aware decision logic, schema contracts, and a self-validation gate. It targets recurrent in-context failures, including format drift, label ambiguity, evidence hallucination, and metadata-conditioned confusion. Second, we propose STaR-DRO, combining Tsallis mirror ascent, sparse entmax-style primal mapback, EMA-smoothed group-loss tracking, rescaled ascent signals, and bounded excess-only multipliers. Unlike conventional DRO, which relies on dense Shannon-entropy exponentiated-gradient updates, can introduce high-variance stochastic reweighting, assigns positive adversarial mass to groups that are not persistently hard, and incurs costs through simplex competition, STaR-DRO upweights only persistently hard groups without suppressing easier ones. We evaluate the framework on EPPC Miner, a clinically grounded high-stakes structured-prediction task requiring hierarchical label prediction and evidence-span extraction from patient-provider secure messages. Across 1B-70B Llama models, prompt engineering improves zero-shot extraction, yielding an average label F1 gain of +14.46 and a Span F1 gain of +17.40. Building on supervised fine-tuning, STaR-DRO further improves accuracy and robustness, increasing average label F1 by +1.08 and +2.20 while reducing mean groupwise validation cross-entropy by 21.3% and 14.8% relative to SFT and standard DRO, respectively. These results advance reliable automated communication mining for patient-centered clinical care analysis.

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21.
arXiv (CS.CL) 2026-06-16

QK-Normed MLA: QK normalization without full key caching

作者:
Yizhou Han↗Yao Zhao↗Jun Zhou↗Longfei Li↗Ruoyu Sun↗

Query-key (QK) normalization stabilizes attention by controlling the scale of queries and keys before the dot product, but is not immediately compatible with Multi-head Latent Attention (MLA). MLA achieves efficient decoding by caching low-dimensional latent states instead of full keys, whereas post-projection QK RMSNorm appears to require the fully projected key for every cached token. We show this apparent incompatibility is an implementation artifact, not an architectural constraint. RMSNorm decomposes into a static affine weight and a dynamic scalar RMS statistic. The static key-side weight can be absorbed into the MLA query-side projection; the dynamic key statistic reduces to one inverse-RMS scalar per token and KV group. The resulting formulation is exactly equivalent to explicit post-projection QK RMSNorm in exact arithmetic and preserves MLA's latent decode path. In our 400M runs trained for up to 100B tokens, QK-Normed MLA achieves lower training loss and better downstream accuracy than QK clipping, while H800 decode benchmarks show less than 2% latency overhead up to 256k context. These results make QK normalization a practical stabilization option for MLA models without requiring full-key caching.

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22.
arXiv (CS.AI) 2026-06-16

Sustainable Materials Discovery in the Era of Artificial Intelligence

作者:
Sajid Mannan↗Rupert J. Myers↗Rohit Batra↗Rocio Mercado↗Lothar Wondraczek↗N. M. Anoop Krishnan↗

arXiv:2601.21527v3 Announce Type: replace-cross Abstract: Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current generative AI models for materials discovery, which now drive exploration of vast chemical and structural spaces, optimize candidates exclusively for structural stability and functional properties, with no integration of environmental assessment at any stage of the design loop. Prospective and ex-ante life cycle assessment methods exist and have been applied to emerging technologies, but they operate as standalone downstream analyses, not as active constraints within generative or active-learning pipelines. The result is that environmental feedback, even when produced, arrives after design decisions have been made rather than informing them. The disconnect between atomic-scale design and lifecycle assessment (LCA) reflects fundamental challenges: (i) data scarcity across heterogeneous sources, (ii) scale gaps from atoms to industrial systems, (iii) uncertainty in synthesis pathways, and (iv) the absence of frameworks that co-optimize performance with environmental impact. In this Perspective, we propose integrating upstream ML-assisted materials discovery with downstream LCA into the ML-LCA framework, comprising five components: information extraction for building materials-environment knowledge bases, harmonized databases linking properties to sustainability metrics, multi-scale models bridging atomic properties to lifecycle impacts, ensemble prediction of manufacturing pathways with uncertainty quantification, and uncertainty-aware optimization enabling simultaneous performance-sustainability navigation. Case studies spanning polymers, glass, photoresists, and cement demonstrate both necessity and feasibility while identifying material-specific integration challenges.

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23.
arXiv (CS.LG) 2026-06-17

ConTex: Reformulating Counterfactual Generation For Time Series Forecasting

作者:
Jan Voets↗Hasan Tercan↗Tobias Meisen↗Sebastian Baum↗

arXiv:2606.18049v1 Announce Type: new Abstract: Decision-making with deep learning-based time series forecasting requires not only accurate predictions but also actionable insights. However, current architectures do not inherently provide such information. Specifically, guidance is needed on how current conditions must be modified to shift from a predicted outcome to a desired future scenario. Counterfactual explanations provide a natural framework for this task, as they represent minimal input changes that alter the model's prediction, indicating when and how intervention is required. Existing approaches rely on instance-wise optimization, leading to inconsistency across instances, high computational costs, and limited applicability in real-time settings. To address these limitations, we reformulate counterfactual generation for time series forecasting as the problem of learning a globally consistent intervention strategy, allowing counterfactuals to be generated through a single shared function. We propose Counterfactual Time Series Explanations (ConTex), a model-agnostic, decomposed architecture comprising a temporal context encoder and a conditional encoder, followed by two heads that capture interventions in terms of temporal relevance and modification strength. This structure overcomes the instability and inconsistency of instance-based approaches by producing targeted, interpretable interventions across time and feature dimensions in a single forward pass, making it suitable for real-time applications. Across multiple forecasting architectures and benchmark datasets, ConTex achieves state-of-the-art validity while generating sparse counterfactuals that minimize the number of necessary interventions. Additionally, our approach reduces computational cost by at least 12-36x compared to instance-wise generation and supports real-time inference at approximately 0.007 seconds.

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24.
arXiv (CS.CL) 2026-06-12

Unsafer in Many Turns: Benchmarking and Defending Multi-Turn Safety Risks in Tool-Using Agents

作者:
Xu Li↗Simon Yu↗Minzhou Pan↗Yiyou Sun↗Bo Li↗Dawn Song↗Xue Lin↗Weiyan Shi↗

LLM-based agents are becoming increasingly capable, yet their safety lags behind. This creates a gap between what agents can do and should do. This gap widens as agents engage in multi-turn interactions and employ diverse tools, introducing new risks overlooked by existing benchmarks. To systematically scale safety testing into multi-turn, tool-realistic settings, we propose a principled taxonomy that transforms single-turn harmful tasks into multi-turn attack sequences. Using this taxonomy, we construct MT-AgentRisk (Multi-Turn Agent Risk Benchmark), the first benchmark to evaluate multi-turn tool-using agent safety. Our experiments reveal substantial safety degradation: the Attack Success Rate (ASR) increases by 16% on average across open and closed models in multi-turn settings. To close this gap, we propose ToolShield, a training-free, tool-agnostic, self-exploration defense: when encountering a new tool, the agent autonomously generates test cases, executes them to observe downstream effects, and distills safety experiences for deployment. Experiments show that ToolShield effectively reduces ASR by 30% on average in multi-turn interactions. Our code is available at https://github.com/CHATS-lab/ToolShield.

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25.
medRxiv (Medicine) 2026-06-15

Diabetes and the Life-Course: Evidence from Panel Data and Electronic Health Records

作者:
Heitzig↗Mackenna↗Rehkopf↗

Incidence of type 2 diabetes is increasing at ages when education, work, family, and financial transitions are taking place, yet we lack robust evidence of whether earlier treatment changes life-course outcomes and over which time span this takes place. This paper uses the medical cutoff for diabetes diagnosis (HbA1c of 6.5 percent) as a natural experiment to study the effects of diabetes treatment using electronic health records (EHR) and panel data. This paper has three main findings. First, using EHR data, we find that there is a sharp increase in the probability of both diagnosis of diabetes and prescription when the HbA1c equals 6.5 percent. Second, we find that treating diabetes reduces HbA1c levels, weight, BMI, and blood pressure and increases the amount of care received, proxied by the number of HbA1c tests. Both the diagnosis and a prescription are independently able to produce positive changes in metabolic health, although a prescription is more effective in this regard. Third, we conclude that treating diabetes does not have a significant effect on life-course outcomes for a cohort of young Americans aged 24-32, although it does result in a reduction in HbA1c levels that are seen even eight years after the intervention. Taken together, these findings suggest that receiving a diagnosis and prescription are both effective treatments for diabetes, but they do not translate to significant alterations in the lives of young adults in the medium-term.

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