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01.
arXiv (CS.CL) 2026-06-24

Paying to Know: Micro-Transaction Markets for Verified Product Information in Agentic E-Commerce

作者:
Filippos Ventirozos↗Matthew Shardlow↗

Commercial NLP treats the shopping chatbot as a recommender or a conversion tool: its job is to match a user to a catalogue entry and close a sale. We argue that the arrival of agent-native micro-payment rails (e.g., x402, AP2) changes what is scarce. When the buyer is an autonomous agent that can investigate exhaustively, the bottleneck is no longer matching products but acquiring trustworthy, decision-relevant information about them. We envision agentic e-commerce as a micro-transaction market for verified information: buyer agents spend fractions of a cent to progressively unlock seller- and reviewer-supplied data – service histories, third-party test reports, bills of materials, audited sales and support metrics – paid for a la carte under a freemium model, with reviewer trust scored reputationally. We sketch the architecture of such a market and argue that it rewards genuine product quality and yields truer competition than ranking-based storefronts. We then translate the vision into concrete NLP problems – cost-optimal information acquisition, data pricing and negotiation, real-time entity resolution, grounded value exchange, and privacy-preserving persona modelling – and argue that these, not chat fluency, deserve the field's attention.

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02.
arXiv (CS.LG) 2026-06-12

Loss-Shift Transfer via Bayes Quotients

作者:
Vasileios Sevetlidis↗

arXiv:2606.13178v1 Announce Type: new Abstract: Transfer learning is usually studied as a consequence of distribution shift. This paper identifies an orthogonal failure mode in which the data distribution is fixed and the loss changes. This setting is called loss shift. A loss determines which information in \(X\) is Bayes-relevant, and two losses may therefore require different representations even under the same joint law \(P(X,Y)\). The idea is formalized using Bayes quotients, which allow losses to be ordered by refinement. In the Bayes-quotient formulation, strict refinement gives an immediate qualitative obstruction. A source-minimal representation for a coarser loss is insufficient for a strictly finer target loss. For finite-output log loss, this obstruction becomes an exact quantitative identity. The excess risk is the conditional information about \(Y\) discarded by the representation. Experiments in controlled, learned, synthetic-image, and real-image settings show the predicted effect, i.e., classification-equivalent representations can have different optimal log-loss performance under a fixed data distribution.

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03.
arXiv (CS.LG) 2026-06-11

FlexiBrain: Resolution-Agnostic Voxel-Level Encoding for Native fMRI

作者:
Mo Wang↗Wenhao Ye↗Junfeng Xia↗Minghao Xu↗Hongkai Wen↗Quanying Liu↗

arXiv:2606.11500v1 Announce Type: cross Abstract: The success of large-scale deep learning models in neuroscience is fundamentally constrained by severe data heterogeneity. Native fMRI data aggregated from diverse sources exhibit substantial variation in both spatial and temporal resolutions. Consequently, most existing frameworks rely on lengthy, rigid preprocessing pipelines that enforce uniformity across datasets. This practice introduces two critical limitations: (1) potential degradation of subject-specific anatomical information; (2) significant computational overhead, often requiring hours of processing per subject. Here, we propose FlexiBrain, a resolution-agnostic voxel-level encoding framework for native fMRI based on Mamba-JEPA. FlexiBrain defines patch sizes in real-world physical units and employs a dynamic patch resizing, thereby bypassing destructive spatial standardization while enabling direct ingestion of data in native space. We instantiate the framework using an efficient Mamba-JEPA backbone to model high-dimensional 4D fMRI signals. Across five diverse downstream neuroscience tasks, FlexiBrain consistently outperforms recent state-of-the-art methods, achieving gains of up to 12 percentage points without external data augmentation. Importantly, FlexiBrain functions as a seamless plug-in module, substantially reducing preprocessing costs and accelerating the development of robust voxel-level fMRI foundation models. Code is available at https://github.com/OneMore1/FlexiBrain.

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

Semantic Editing with Coupled Stochastic Differential Equations

作者:
Jianxin Zhang↗Clayton Scott↗

Editing the content of an image with a pretrained text-to-image model remains challenging. Existing methods often distort fine details or introduce unintended artifacts. We propose using coupled stochastic differential equations (coupled SDEs) to guide the sampling process of any pre-trained generative model that can be sampled by solving an SDE, including diffusion and rectified flow models. By driving both the source image and the edited image with the same correlated noise, our approach steers new samples toward the desired semantics while preserving visual similarity to the source. The method works out-of-the-box, without retraining or auxiliary networks, and achieves high prompt fidelity along with near-pixel-level consistency. These results position coupled SDEs as a simple yet powerful tool for controlled generative AI. Project page: https://z-jianxin.github.io/syncSDE-release/. Code: https://github.com/Z-Jianxin/syncSDE-release.

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05.
arXiv (CS.CL) 2026-06-17

Rethinking Groups in Critic-Free RLVR

作者:
Yihong Wu↗Liheng Ma↗Lingfeng Xiao↗Muzhi Li↗Xinyu Wang↗Yingxue Zhang↗Jian-Yun Nie↗

Reinforcement learning (RL) has become a central paradigm for post-training large language models. Existing critic-free RL methods typically generate a group of rollouts for the same question to estimate value baselines for advantage computation. However, this design suffers from data inefficiency, group synchronization barriers, and inflexibility with structured rollouts. In this work, we revisit the role of the ``group'' and show that its underlying function is not merely to estimate baselines but to prevent false penalties on negative samples. Building on this insight, we propose negative token filtering, a simple and effective strategy that enables stable single-rollout training. We apply it to two batch-level advantage methods, achieving comparable performance on reasoning tasks and stronger performance on agentic tasks relative to group-based RL techniques.

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

Optimizing Appliance Scheduling for Solar Energy Management Using Metaheuristic Algorithms

作者:
Hiba Ahmed↗Alexander E. I. Brownlee↗Jason Adair↗Simon T. Powers↗

arXiv:2606.13407v1 Announce Type: new Abstract: Renewable energy is essential for meeting future energy demands; however, solar energy generation, which occurs only during daylight hours often does not align with household consumption patterns. Appliances such as cookers, washing machines, and dryers are typically operated according to user preferred schedules rather than solar energy availability, creating a scheduling optimization problem. The objective is to determine optimal appliance start times to maximize renewable energy utilization while minimizing user inconvenience and adhering to system constraints. This paper presents a metaheuristic approach using Iterated Local Search (ILS) and Simulated Annealing (SA) to optimize appliance start times, while considering appliance operating durations, power consumption, inverter limit, battery state of charge constraints, and solar generation forecasts. Unlike most existing work, the scheduling is extended beyond a single day to accommodate unfinished tasks from previous days (spillover), ensuring operational continuity and enabling sequential operation across multiple days. Experimental results show that the sequential multi-day scheduling framework effectively manages system constraints while ensuring user convenience under exclusive solar generation. These findings also open opportunities for future research on multi-objective trade-offs between investment in equipment of various sizes, return on that investment, and user satisfaction.

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07.
arXiv (CS.CV) 2026-06-24

Geometry-Aware Style Transfer in 3D Gaussian Splatting

作者:
Min Hyeok Bang↗Jun Hyeong Kim↗Seung-Wook Kim↗Se-Ho Lee↗

In this paper, we present a novel geometry-aware style transfer framework for 3D Gaussian splatting (3DGS) that simultaneously transfers appearance attributes and geometric structures. Unlike prior works that primarily focus on color-based stylization and often overlook structural adaptation, our method explicitly incorporates geometry adaptation through a decoupled optimization scheme that alternately updates color and geometry parameters. This strategy alleviates potential interference between color and geometry updates, leading to stable and consistent scene-level geometry transformation. The decoupled optimization is enabled by the proposed geometry-aware contrastive feature matching (GCFM). GCFM integrates RGB, depth, and edge cues into a contrastive objective and is employed in both optimization phases to effectively transfer structural characteristics from style images to Gaussian primitives. Extensive experiments show that our approach achieves superior performance in both qualitative fidelity and quantitative metrics, significantly outperforming existing 3DGS-based stylization methods. Our code is available at \href{https://github.com/oweixx/gast}{https://github.com/oweixx/gast}.

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08.
arXiv (CS.AI) 2026-06-16

RECTOR: Masked Region-Channel-Temporal Modeling for Affective and Cognitive Representation Learning

作者:
Jinhan Liu↗Mahsa Shoaran↗

arXiv:2606.15278v1 Announce Type: cross Abstract: Affective and cognitive disorders manifest as distributed, time-varying brain network dynamics across regions, channels, and time, challenging robust representation learning from EEG/sEEG for clinical diagnosis. We propose RECTOR (Masked Region-Channel-Temporal Modeling), an end-to-end self-supervised framework that unifies joint region-channel-temporal representation learning beyond fixed anatomical priors. At its core, RECTOR-SA is a hierarchical, block-sparse self-attention induced by Adaptive Functional Partitioning that evolves region structures from static anatomical definitions to adaptive functional regions. The self-supervision is driven by Masked Topology and Representation Learning, which jointly optimizes three complementary objectives: Masked Predictive Modeling, Topological Structure Modeling, and Cross-View Consistency. Across diverse benchmarks, RECTOR sets a new state-of-the-art in EEG emotion recognition and sEEG task-engagement classification. Crucially, its strong robustness to missing channels and cross-montage generalization underscores its potential for large-scale pre-training on heterogeneous EEG/sEEG, providing interpretable insights at both region and channel levels.

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09.
medRxiv (Medicine) 2026-06-17

High burden of subclinical TB in Africa revealed from a postmortem cohort.

作者:
Ahimbisibwe↗NAKIBUULE↗Ssejjoba↗M. M↗Lekuya↗Kizito↗A. M↗Cose↗Mulwana↗Bisoboka↗C. P↗Turyasingura↗…

Tuberculosis (TB) is increasingly recognised as a spectrum of infection and disease, yet the prevalence of viable, asymptomatic Mycobacterium tuberculosis (M.tb) infection remains uncertain. Subclinical Tuberculosis (scTB), defined as microbiologically confirmed M.tb infection in the absence of recognised symptoms, is under detected by symptom, sputum and imaging-based approaches. We conducted postmortem examinations of 94 adults who died from non-infectious causes, none of whom were clinically suspected of TB or reported TB related symptoms prior to death. Lung and extrapulmonary tissues were cultured for M.tb. Viable M.tb was confirmed in six individuals, corresponding to a prevalence of 6.4% (95% CI: 2.4 to 13.4%). These findings provide direct tissue-based evidence that viable, asymptomatic M.tb infection can persist beyond the reach of conventional clinical detection. Our data suggest that a biologically active reservoir of infection may exist undetected within high-burden settings, with implications for surveillance strategies aimed at TB elimination.

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10.
arXiv (CS.LG) 2026-06-17

Tacit Coordination of Large Language Models

作者:
Ido Aharon↗Emanuele La Malfa↗Michael Wooldridge↗Sarit Kraus↗

arXiv:2601.22184v2 Announce Type: replace-cross Abstract: Large Language Models (LLMs) are increasingly deployed in multi-agent settings that require coordination without communication, from human-AI interaction to safety-critical scenarios. Humans often overcome the absence of communication through focal points: salient solutions that naturally stand out to all participants. We present the first large-scale evaluation of how, when, and why focal points emerge in LLMs, comparing their behaviour with humans across cooperative and competitive games, including realistic search and rescue scenarios, demonstrating when focal points enable effective coordination. Across more than 20 open- and closed-source models, we find that LLMs exhibit a remarkable ability to coordinate without communication, often matching or outperforming humans. However, the same models consistently fail in tasks requiring numerical common sense or culturally nuanced notions of salience. We additionally evaluate simple learning-free strategies that substantially improve coordination both among LLMs and between humans and LLMs. Our results reveal striking coordination capabilities, as well as social limitations in modern LLMs, and offer new insight into the latent notions of salience encoded within them. Our findings caution against assuming that LLMs share humans' cultural and perceptual substrate when deployed in coordination settings.

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

Towards Next-Generation Healthcare: A Survey of Medical Embodied AI for Perception, Decision-Making, and Action

作者:
Cheng Zhang↗Qing Cai↗Xingzheng Wu↗Xun Yang↗Xiaojun Chang↗Bingkun Bao↗Liqiang Nie↗Xinwang Liu↗Yi Yang↗

Foundation models have demonstrated impressive performance in enhancing healthcare efficiency across a wide range of medical applications. Nevertheless, their limited ability to perceive, understand, and interact with the physical world significantly constrains their effectiveness in real-world clinical workflows, where safety-critical decision-making and physical execution are tightly coupled. Recently, embodied artificial intelligence (AI) has emerged as a promising physical-interactive paradigm for intelligent healthcare, enabling agents to operate in complex medical environments. As research in this area rapidly expands, understanding how intelligent agents function as integrated, end-to-end systems in clinical environments becomes increasingly critical. However, existing surveys on medical embodied AI largely emphasize individual aspects or functional components, lacking a unified system-level organization of the field. To support and consolidate recent advances, we systematically survey the core components of medical embodied AI, with a particular emphasis on the coordinated integration of perception, decision-making, and action. We further review representative medical applications and relevant datasets, and we analyze the major challenges encountered in real-world clinical practice. Finally, we discuss key directions for future research in this rapidly evolving field. The associated project can be found at https://github.com/VMVLab/Medical_Embodied_AI_Paper_List.

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

Beyond Models: Reflections on Engineering AI-enabled Systems in a Project-Based Course

作者:
Amir Mashmool↗Kishan Ravindra Sawant↗Mojtaba Shahin↗Nico Hochgeschwender↗Rainer Koschke↗

arXiv:2606.16842v1 Announce Type: cross Abstract: Teaching Software Engineering for AI-enabled systems entails addressing the integration of AI components within full-scale software architectures under realistic constraints. While machine learning courses emphasize model development, students often lack experience in architectural design, deployment, and monitoring of AI-enabled systems. Empirical evaluations of such system-oriented AI courses remain limited. This paper reflects on the design and implementation of a project-based master's-level course titled AI Algorithms: Theory and Engineering, at the University of Bremen, in which students developed a movie recommendation system while making architectural design decisions to address challenges related to scalability, deployment, and evolving requirements. We conducted a mixed-methods study combining analyses of student submissions and questionnaire responses to investigate integration challenges, learning outcomes, and opportunities for improvement. Our results indicate persistent difficulties in early architectural decisions, heterogeneous ML integration, evolving requirements, and data management, largely due to uneven ML and software engineering expertise. From the educator's perspective, the course fostered system-level reasoning and strengthened awareness of data-centric ML practices in AI-enabled systems.

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13.
arXiv (CS.AI) 2026-06-24

OrbitForge: Text-to-3D Scene Generation via Reconstruction-Anchored Video Synthesis

作者:
Chenrui Fan↗Paolo Favaro↗

arXiv:2606.24799v1 Announce Type: cross Abstract: Generic text-to-video models can be used as rich open-world scene priors. Despite the high quality of today's generated videos, they do not directly yield reliable 3D assets: camera motion is difficult to control, view coverage is partial, and frames often contain inconsistencies across time. We introduce OrbitForge, an adapter built from frozen video priors and per-prompt Gaussian Splatting reconstruction optimization that converts a single text-generated video into a canonical closed-orbit 3D Gaussian Splatting scene. We use 3D reconstruction as an anchor to improve the 3D consistency of the generated video. We obtain a preliminary 3D reconstruction from a first generated video via Deformable Gaussian Splatting with a robust MedianGS proxy. We render views from a prescribed orbit to detect missing viewpoints. OrbitForge uses the text-to-video model to complete only the missing views, and reconstructs the completed orbit into a final Gaussian Splatting scene. This design requires no task-specific video or multiview fine-tuning, avoids per-prompt score-distillation optimization, and does not progressively generate views one step at a time. We further argue that this setting demands coverage-aware evaluation: local smoothness alone rewards methods that never attempt a full orbit. On a frozen 300-prompt T3Bench-derived audit, OrbitForge reconstruction attains a 359.0-degree measured median span, raises originally unsupported-bin Q10 ImageReward from 8.07 to 16.36 relative to MedianGS-only reconstruction, while remaining competitive with VideoMV on the coverage-quality.

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

Lighting-aware Unified Model for Instance Segmentation

作者:
Qisai Liu↗Alloy Das↗Zhanhong Jiang↗Joshua R. Waite↗Aditya Balu↗Adarsh Krishnamurthy↗Soumik Sarkar↗

Foundation models like the Segment Anything Model (SAM) demonstrate impressive zero-shot generalization but frequently degrade under diverse real-world illumination, particularly for instance segmentation. In this work, we address this limitation by developing Lighting Convolutional-Attention (\lca{)}, an adapter module that enhances segmentation robustness without fine-tuning the heavy backbone. \lca{} employs a dual-branch architecture to process RGB features alongside contrast maps, enabling physically motivated sensitivity to structural changes rather than illumination artifacts. We optimize \lca{} through a pairwise training strategy, introducing a targeted loss term that explicitly penalizes discrepancies between clean images and their corresponding illumination variants. To evaluate and support this architecture, we conduct a comprehensive empirical study across multiple existing benchmarks and present a novel Unity-based synthetic dataset specifically designed to accurately replicate complex real-world lighting conditions. Extensive experimental results demonstrate that our approach successfully bridges the domain gap, delivering superior lighting-robust segmentation.

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

Factions Within, Uncertain Across: Within-Document Reader Sub-Groups in Social Highlighting

作者:
Kazuki Nakayashiki↗Keisuke Watanabe↗

When many people highlight the same document, is the crowd a single consensus, or is it internally structured into reader sub-groups that mark different things – and is that structure a stable property of a reader or of the document? Building on prior work showing an individual's within-document highlighting signal is a whisper while individuality lives in selection, we ask the group-level question on a co-readership platform using a margin-preserving curveball null. Experiment 1: within a document, readers form strong sub-groups – pairs agree far beyond what shared salience, mark density, and sentence popularity predict (nearest-neighbour agreement z=+6.3, significant in 88% of documents). Under an eight-block region-preserving null, shared engagement with the same coarse regions of the document accounts for about 40% of this excess; the majority survives as finer reader-specific agreement (z=+3.6, 77% significant). So the within-document crowd is, in a descriptive sense, factional. Experiment 2: is that grouping a stable reader trait? Here we are honest about power. The cross-document split-half reproducibility of a pair's agreement is near zero pooled (+0.078 and 0.000 in two separately drawn samples), and a power calibration shows the test is informative only for pairs that co-read many documents. In the only informative high-overlap subset (k>=4), point estimates are positive but small-sample, imprecise across the separately drawn samples, never significant, and attenuate under the region-preserving null. We therefore leave cross-document stability unresolved: the data is consistent with anything from situational grouping to a weak-to-moderate stable reader trait. The crowd is factional within a document; whether its factions follow the reader across documents is, honestly, beyond our reach.

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

Context-Aware Hierarchical Bayesian Modeling of IVF Laboratory Environmental Conditions

作者:
Zahra Asghari Varzaneh↗Reza Khoshkangini↗Pia Saldeen↗Lars Johansson↗Thomas Ebner↗

arXiv:2606.20459v1 Announce Type: new Abstract: IVF pregnancy rates are routinely modeled using patient-level variables, while high-resolution laboratory environmental data remain underutilized. We show that this is a missed opportunity. Rather than relying on raw sensor averages, we engineer 55 context-aware temporal features, including rolling thermal stability, simultaneous temperature-humidity adherence, peak stress duration, and post-stress recovery speed, that capture the dynamics of incubator microenvironments. On 61 weeks of data from an Asian IVF clinic, these features reduce cross-validated prediction error to 1.27%, compared to 3-5% for raw averages. We then train a hierarchical Bayesian Beta regression model that shares environmental effects across an Asian and a Northern European clinic via partial pooling, while preserving site-specific baselines. On held-out data from the Northern European clinic, the model achieves R2 = 0.86 and a 64% error reduction for the 35-39 age group over a naive baseline, demonstrating that structured environmental monitoring contains clinically meaningful, transferable signal.

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

DynAMO:Dynamic Asset Management Orchestration via Topological Multi-Agent Scheduling

作者:
Kanishk Kushwaha↗Vikrant Vinod Bansode↗Harsh Vardhan↗Dhaval C. Patel↗

arXiv:2606.19382v1 Announce Type: cross Abstract: While LLM-powered agents offer end-to-end automation for industrial asset lifecycles, real-world Industry 4.0 deployment is hindered by latency, concurrency instability, and safety risks. We present DynAMO (Dynamic Asset Management Orchestration), a deployment-ready engine using a Plan-then-Execute architecture to generate verifiable workflow graphs. DynAMO supports both SequentialWorkflow (topological execution) and ParallelWorkflow (dependency-aware concurrency). By dynamically identifying independent tasks, DynAMO preserves structural correctness and safety while significantly improving efficiency through controlled reasoning overlap. Across six controlled experiments on the AssetOpsBench industrial benchmark, DynAMO demonstrates substantial performance and robustness gains. Parallel execution reduces end-to-end latency by a median of 1.6x over sequential orchestration, rising to 1.8x on highly parallelizable workflows. After instrumenting external tool calls with realistic latencies, a latency decomposition shows that LLM reasoning and orchestration still account for more than 90% of execution time, identifying model inference as the primary system bottleneck. Structured context pruning reduces inference latency by approximately 30%, and DynAMO maintains correct functional behaviour (task completion, agent sequencing, and output quality) while exhibiting graceful degradation under controlled fault injection. Reproducibility analysis further confirms stable execution under repeated runs, with parallel scheduling reducing latency variance. These findings establish DynAMO as a practical blueprint for scalable, safe, and latency-aware agent deployment in Industry 4.0 automation pipelines. Code is available at: https://github.com/kushwaha001/DynAMO

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18.
arXiv (CS.AI) 2026-06-15

Closing the Reflection Gap: A Free Calibration Bonus for Agentic RL

作者:
Yinglun Zhu↗

arXiv:2606.14211v1 Announce Type: new Abstract: LLMs are increasingly deployed as agents that interact with external environments and observe feedback such as execution results, error messages, and tool outputs. A well-functioning agent should be able to leverage this feedback to accurately assess its own performance. Yet we find a persistent reflection gap: LLM agents tend to mis-assess their own outputs after observing concrete environment feedback – even for questions they correctly answered – and standard RL barely helps due to a credit-assignment mismatch. To close this gap, we propose RefGRPO, a simple yet effective fix that augments standard RL algorithms with two key ingredients: a free calibration bonus computed by contrasting the agent's own reflection with the actual outcome (requiring no additional reward model, LLM judge, or external annotation), and a dynamic schedule on its coefficient. Compared to standard RL baselines, our method simultaneously improves reflection calibration (e.g., reduces underconfidence rate $44.4\% \to 7.7\%$) and task accuracy (e.g., $75.1\% \to 76.5\%$) on text-to-SQL across five benchmarks. The resulting calibrated reflection turns the agent into its own verifier grounded in environment feedback, which further enables (i) better self-improvement that uses reflections as pseudo-rewards without outcome supervision, and (ii) more effective test-time selective prediction by committing only to rollouts flagged as correct.

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19.
arXiv (CS.CV) 2026-06-18

Confidence is Not Reliability: Rethinking MC Dropout in Brain Tumour Segmentation

作者:
Xin Ci Wong↗Duygu Sarikaya↗Kieran Zucker↗Marc De Kamps↗Nishant Ravikumar↗

Glioma segmentation in multiparametric MRI is a critical component of treatment planning. A segmentation model that fails silently on treatment-critical sub-regions represents a patient safety risk that overlap-based metrics such as Dice scores cannot expose. We ask whether voxel-level uncertainty estimation via Monte Carlo (MC) Dropout can reliably identify segmentation errors in clinically critical sub-regions, and whether calibration failure modes are detectable from standard reporting metrics alone. In an empirical two-model case study on 126 BraTS21 patients, we evaluate a high-performance pretrained SegResNet and a locally trained UNet with residual units (UNet-Res). MC dropout preserved segmentation accuracy ($|\Delta Dice|$ $

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20.
Nature (Science) 2026-06-10

‘Hidden hero’ peptides guard crops against sudden cold

作者: 未知作者

A protein signal remains silent under normal conditions but is activated under cold stress to protect developing pollen. This ‘on-demand’ resilience mechanism could enable the development of ‘climate smart’ crops that maintain high yields in good years and food security under climate stress. A peptide signal ensures that, in cold conditions, developing pollen receives nutrients at the right time.

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

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

作者:
Asma Jamali↗Tin Sum Cheng↗Rodrigo A. Vargas-Hern\'andez↗

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

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

Unifying Post-hoc Explanations of Knowledge Graph Completions

作者:
Alessandro Lonardi↗Samy Badreddine↗Tarek R. Besold↗Pablo Sanchez Martin↗

arXiv:2507.22951v2 Announce Type: replace Abstract: Knowledge Graphs organize information as entity-relation-entity triples, enabling machine learning models to predict plausible missing triples in a task known as Knowledge Graph Completion (KGC). Post-hoc explainability for KGC addresses the problem of identifying which triples most influence the predictions of machine learning models. Currently, the field lacks formalization and consistent evaluations, hindering reproducibility and cross-study comparisons. This paper argues for a unified taxonomy for post-hoc explainability in KGC. First, we propose a characterization of post-hoc explanations via multi-objective optimization that unifies existing post-hoc explainability algorithms in KGC and the explanations they produce, balancing explanation effectiveness and conciseness. Next, we examine improved evaluation protocols based on popular metrics, such as Mean Reciprocal Rank and Hits@k, through illustrative experiments. Finally, we stress the importance of interpretability as the ability of explanations to address queries meaningful to end users. By unifying methods and discussing evaluation standards, this work puts forward a case for more reproducible and impactful research in KGC explainability.

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23.
PLOS Computational Biology 2026-06-12

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

作者:
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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24.
arXiv (CS.AI) 2026-06-17

Catastrophic Forgetting is Low-Rank: A Function-Space Theory for Continual Adaptation

作者:
Ido Nitzan Hidekel↗Dan Raviv↗

arXiv:2606.18024v1 Announce Type: cross Abstract: Catastrophic forgetting in continual adaptation is usually studied through parameter drift, replay, or distillation, but these views do not identify which output-space directions are vulnerable. We give a function-space account in the NTK regime: new-task training induces old-task prediction drift through the cross-task kernel, yielding a closed-form predictor for the forgetting vector before any new-task gradient step. In frozen-backbone linear-head PEFT-CL, where the model is linear in the trainable parameters, the predictor is exact up to numerical precision; for nonlinear adapters/full fine-tuning, it is a local NTK approximation. The same expression reveals that forgetting concentrates in a small number of old-task NTK eigenmodes and under frozen linear heads gives a Kronecker scaling rule for the vulnerable rank. These results clarify the relation to prior NTK-overlap theory, explain why parameter-space regularizers can miss output-space interference, and motivate a targeted spectral regularizer.

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25.
arXiv (CS.LG) 2026-06-15

CANN-EUCLID: unsupervised constitutive artificial neural network model discovery from full-field data

作者:
Benjamin Alheit↗Siddhant Kumar↗Mathias Peirlinck↗

arXiv:2606.14565v1 Announce Type: cross Abstract: Constitutive artificial neural networks (CANNs) provide interpretable material model discovery, but have so far been used in stress-supervised settings based on apparent stress-strain data from homogeneous tests. Because each test samples only a narrow loading path and provides homogenized rather than local stress information, robust discovery typically requires multiple loading modes to constrain the multidimensional response. This is challenging for soft biological tissues, where repeated testing, damage, and sample variability limit reliable information from a single specimen. Here, we combine CANNs with the stress-unsupervised full-field discovery framework EUCLID to identify sparse hyperelastic laws directly from displacement fields and reaction forces in one heterogeneity-inducing loading case. CANN-EUCLID minimizes equilibrium imbalance with sparsity-promoting regularization selecting compact active terms, without local stress measurements or a prescribed law. We evaluate the approach on isotropic and anisotropic benchmarks with prescribed ground-truth laws. When the ground truth is representable by the chosen CANN basis, our method recovers the correct terms with near-exact accuracy, including exponential terms with embedded parameters. When it is not contained in the basis, the method retains shared terms and approximates missing contributions using available basis functions. Generalization depends strongly on sampled deformation states: exponential strain-stiffening terms can be recovered accurately when sufficiently probed, but can produce large extrapolation errors when the stiffening regime lies outside the sampled domain. Forward FE validation simulations show that the discovered behavior accurately replicates the ground truth. These results establish stress-unsupervised CANN discovery as a promising framework for interpretable full-field constitutive model identification.

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