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01.
medRxiv (Medicine) 2026-06-12

Genetic basis of dynamic brain states reveals cellular and disease associations

Authors:
Ebneabbasi↗Whiteside↗D. J↗Gu↗Bethlehem↗R. A. I↗Warrier↗Rittman↗

Dynamic resting-state fMRI captures the time-varying patterns of brain activity that are obscured by static approaches. Hidden Markov Models (HMMs) characterise these dynamics as recurring whole-brain states and quantify their fractional occupancy (FO), the proportion of time spent in each state, yet the biological basis of inter-individual variation in FO remains unclear. Using data from 52,335 White UK Biobank participants, with replication in East and South Asian subsamples, this study examined the heritability, cellular and neurotransmitter basis of brain states, and their links with complex phenotypes. FO was significantly heritable and enriched for neuronal populations, particularly glutamatergic and GABAergic signalling. Analyses identified shared and state-specific loci and revealed genetic correlations, colocalisation, and potential causal relationships between FO and several phenotypes, including educational attainment, sleep duration, and disease risk. These findings establish dynamic brain states as biologically grounded intermediate phenotypes, linking genetic variation to neural dynamics, diseases and traits.

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

Diffusing to Coordinate: Efficient Online Multi-Agent Diffusion Policies

Authors:
Zhuoran Li↗Hai Zhong↗Xun Wang↗Qingxin Xia↗Lihua Zhang↗Longbo Huang↗

arXiv:2602.18291v2 Announce Type: replace Abstract: Online Multi-Agent Reinforcement Learning (MARL) is a prominent framework for efficient agent coordination. Crucially, enhancing policy expressiveness is pivotal for achieving superior performance. Diffusion-based generative models are well-positioned to meet this demand, having demonstrated remarkable expressiveness and multimodal representation in image generation and offline settings. Yet, their potential in online MARL remains largely under-explored. A major obstacle is that the intractable likelihoods of diffusion models impede entropy-based exploration and coordination. To tackle this challenge, we propose among the first \underline{O}nline off-policy \underline{MA}RL framework using \underline{D}iffusion policies (OMAD) to orchestrate coordination. Our key innovation is a relaxed policy objective that maximizes scaled joint entropy, facilitating effective exploration without relying on tractable likelihood. Complementing this, within the centralized training with decentralized execution (CTDE) paradigm, we employ a joint distributional value function to optimize decentralized diffusion policies. It leverages tractable entropy-augmented targets to guide the simultaneous updates of diffusion policies, thereby ensuring stable coordination. Extensive evaluations on MPE and MAMuJoCo establish our method as the new state-of-the-art across $10$ diverse tasks, demonstrating a remarkable $2.5\times$ to $5\times$ improvement in sample efficiency.

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

PointDiffusion: Diffusion-Based Scene Completion in the Point Cloud Domain

Authors:
Chidera Agbasiere↗Mikhail Sannikov↗Faith Ogunwoye↗Erik Shaikhiev↗Alex Kozinov↗Ilya Mikhalchuk↗Iana Zhura↗Dzmitry Tsetserukou↗

Reconstructing dense 3D scenes from sparse LiDAR point clouds is a fundamental challenge in autonomous driving, where latent diffusion models offer a promising solution. However, existing approaches rely on object-level autoencoders that collapse into unstable global representations at outdoor scale and suffer from ground truth data corrupted by odometry drift that systematically degrades supervision quality. Furthermore, multi-step diffusion inference incurs prohibitive latency for real-time deployment. We propose a novel multi-token Gaussian VAE with cross-attention pooling for stable scene-scale LiDAR compression, combined with an anchor-based ICP ground truth refinement pipeline that eliminates drift-induced noise from training supervision. Together, these components enable a scaffold-free single-step diffusion completion model that achieves an approximately 16x reduction in squared Chamfer distance on SemanticKITTI seq. 08 (0.396 m^2 to 0.024 m^2), surpasses LiDiff and ScoreLiDAR by 17-19% and 10-11%, respectively, and operates at 25-143x lower inference latency. Our results demonstrate that data quality dominates model design in this regime and that multi-token latent spaces provide a stable first stage for latent diffusion-based scene completion.

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

Adaptive inference and function vectors in deep transformers

Authors:
Ravin Raj↗Gautam Reddy↗

arXiv:2606.16694v1 Announce Type: cross Abstract: Transformers are widely used as a general-purpose substrate for learning complex correlations between a large collection of coupled variables, but their internal mechanisms have remained mysterious. We introduce a theory of a deep transformer as a mean-field interacting system that implements distributed inference, subject to constraints on communication, locality and depth. We show that such a system can exploit internal state representations ('function vectors') to infer a latent context variable at increasingly finer scales over its layers. In an in-context regression task, the theory predicts a non-trivial relationship between non-Gaussian, hierarchical structure in the latent context variable, and transformer depth. Predictions are tested using constrained linear attention transformers and demonstrate adaptive inference in deep architectures. Feedforward blocks and depth enable transformers to implement a much richer class of in-context learning algorithms than previously described.

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

Towards Anomaly Detection on Relational Data

Authors:
Shiyuan Li↗Yunfeng Zhao↗Yue Tan↗Qingfeng Chen↗Yixin Liu↗Shirui Pan↗

arXiv:2606.18621v1 Announce Type: new Abstract: Relational databases are widely used for managing structured data in real-world systems. Detecting anomalies from such relational data is crucial for identifying fraud, risks, and abnormal behaviors, yet remains under-explored. The key challenges lie in the intrinsic complexity of relational data: multi-table attributes are high-dimensional and heterogeneous, making sparse abnormal clues easy to overwhelm by normal or irrelevant information; and anomalies may further manifest as abnormal connection patterns across different foreign-key relations, which existing tabular and graph anomaly detection methods are ill-suited to capture. To address them, we propose RelAD, a reconstruction-based framework that captures anomalies from both attribute and relational edge reconstruction. RelAD contains two core modules: conditional sparse-gated attribute reconstruction, which suppresses redundant multi-table attributes and emphasizes abnormal semantic blocks, and dual-view multi-relational edge reconstruction, which detects relation-specific abnormal connections from both intrinsic and behavioral entity profiles. The resulting attribute and relational signals are integrated through a lightweight fusion module to produce the final anomaly score. We further construct 6 benchmark datasets with systematic anomalies, on which extensive experiments show that RelAD consistently outperforms other baselines while achieving competitive efficiency.

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

Phys-JEPA: Physics-Informed Latent World Models for Multivariate Time-Series Forecasting

Authors:
Weizhi Nie↗Weichao Liu↗Honglin Guo↗Yuting Su↗

arXiv:2606.16076v1 Announce Type: cross Abstract: Multivariate forecasting in physical systems requires models that predict coupled temporal variables while preserving meaningful state evolution. Deep forecasters can fit temporal correlations, and physics-informed models can regularize predictions with scientific constraints, but these directions are often connected only at the decoded-output level. As a result, the hidden predictive state that generates future trajectories may remain statistically useful but physically unstructured. We introduce Phys-JEPA, a physics-informed joint-embedding predictive architecture for multivariate time-series forecasting. Phys-JEPA learns a latent world model in which predictive states are decomposed into physical and residual components, and physical consistency is imposed directly on latent states and latent transitions rather than only on decoded forecasts. This formulation uses known physical variables to organize the representation space while retaining residual capacity for unresolved dynamics. On Jena Climate 2009–2016, Phys-JEPA reduces aggregate MSE from 0.12482 to 0.12273 and temperature MSE from 0.01892 to 0.01831 at H=24. On Traffic, full Phys-JEPA improves aggregate MSE over the supervised baseline across all tested horizons, reducing H=192 MSE from 0.800784 to 0.773873. On Electricity, the best variant depends on horizon: static latent consistency is strongest at H=24 and H=48, while full Phys-JEPA gives the best aggregate and target-variable MSE at H=192. These initial results suggest that moving physics-informed learning from output space to latent predictive state space is a promising direction for interpretable temporal world models.

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07.
arXiv (CS.CL) 2026-06-18

MORTAR: Multi-turn Metamorphic Testing for LLM-based Dialogue Systems

Authors:
Aaron Guoxiang Guo↗Aldeida Aleti↗Neelofar Neelofar↗Chakkrit Tantithamthavorn↗Yuanyuan Qi↗Tsong Yueh Chen↗

With the widespread application of LLM-based dialogue systems in daily life, quality assurance has become more important than ever. Recent research has successfully introduced methods to identify unexpected behaviour in single-turn testing scenarios. However, multi-turn interaction is the common real-world usage of dialogue systems, yet testing methods for such interactions remain underexplored. This is largely due to the oracle problem in multi-turn testing, which continues to pose a significant challenge for dialogue system developers and researchers. In this paper, we propose MORTAR, a metamorphic multi-turn dialogue testing approach, which mitigates the test oracle problem in testing LLM-based dialogue systems. MORTAR formalises the multi-turn testing for dialogue systems, and automates the generation of question-answer dialogue test cases with multiple dialogue-level perturbations and metamorphic relations (MRs). The automated MR matching mechanism allows MORTAR more flexibility and efficiency in metamorphic testing. The proposed approach is fully automated without reliance on LLM judges. In testing six popular LLM-based dialogue systems, MORTAR reaches significantly better effectiveness with over 150\% more bugs revealed per test case when compared to the single-turn metamorphic testing baseline. Regarding the quality of bugs, MORTAR reveals higher-quality bugs in terms of diversity, precision and uniqueness. MORTAR is expected to inspire more multi-turn testing approaches, and assist developers in evaluating the dialogue system performance more comprehensively with constrained test resources and budget.

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08.
Science (Express) 2026-06-02

Another red alert for American science | Science

Authors: Unknown Author

Although research has bipartisan support in the US Congress, and trust in science is above 75% across the country, the Trump administration seems as determined as ever to mortally wound the nation’s scientific enterprise. After the scientific community persuaded Congress to restore most of the president’s draconian cuts to research funding last year, the White House Office of Management and Budget (OMB), under Russell Vought, has found new ways to circumvent the will of Congress and starve American science. At the beginning of this year, OMB dragged its feet in releasing instructions to federal agencies for how to distribute the funding appropriated by Congress, leading to lags in dispersal. Now, OMB has proposed revising the rules that govern how federal dollars are spent. The changes would inevitably lead to unlegislated reductions in funding and damage US leadership in science, both in academia and industry.

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09.
arXiv (CS.CL) 2026-06-11

Augmenting Molecular Language Models with Local $n$-gram Memory

Authors:
Xinni Zhang↗Zijing Liu↗He Cao↗Yu Li↗Irwin King↗

Transformer-based language models for SMILES strings suffer from a locality gap: standard character-level tokenization fragments chemically meaningful motifs, forcing models to repeatedly learn local syntax at the expense of long-range dependencies. To address this without disrupting standard tokenizers, we propose MolGram, which integrates a conditional $n$-gram memory module into molecular language models. MolGram maps local string patterns to learned embeddings via scalable hash lookups and dynamically injects this regional context into hidden states. Evaluations across three tasks, including unconditional molecule generation, forward reaction prediction, and single-step retrosynthesis, show that MolGram consistently improves performance. Crucially, our analyses demonstrate that MolGram outperforms baselines with 3$\times$ more parameters, establishing explicit local pattern memory as a highly efficient inductive bias.

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

A Controlled Study of Decoding-Time Truthfulness Methods on Instruction-Tuned LLMs

Authors:
Ao Sun↗

In this work, we introduce CHAIR (Classifier of Hallucination As ImproveR), a supervised framework for detecting hallucinations by analyzing internal logits from each layer of every token. Our method extracts a compact set of features such as maximum, minimum, mean, standard deviation, and slope-from the token logits across all layers, enabling effective hallucination detection without overfitting. Experiments on TruthfulQA and MMLU datasets demonstrate that CHAIR significantly improves detection accuracy, particularly in zero-shot scenarios, showcasing its robustness and generalizability. Beyond hallucination detection, CHAIR highlights the potential of using internal representations for designing advanced decoding strategies. By leveraging patterns in logits, we suggest that more sophisticated models and adaptive decoding methods could further reduce hallucinations and enhance text completion quality. CHAIR not only offers a practical solution for detecting hallucinations but also lays the groundwork for exploring richer representations in LLMs to improve their factuality and coherence.

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

Towards Responsibly Non-Compliant Machines

Authors:
Marija Slavkovik↗Marie Farrell↗Louise Dennis↗Michael Fisher↗Simon Kolker↗Emily C. Collins↗

arXiv:2606.12147v1 Announce Type: new Abstract: We consider the problem of engineering autonomous intelligent agents that are capable to responsibly not comply with user requests. We argue that machine non-compliance comes in many different forms, and sketch the issues we should pursue on the road of accomplishing responsibly non-compliant intelligent machines. We anchor responsible non-compliance in justifications for task refusal, pathways to override the non-compliance, as well as careful tracking of security risks and liability transfers.

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12.
arXiv (CS.CV) 2026-06-17

R1-SyntheticVL: Is Synthetic Data from Generative Models Ready for Multimodal Large Language Model?

Authors:
Jingyi Zhang↗Tianyi Lin↗Huanjin Yao↗Xiang Lan↗Shunyu Liu↗Jiaxing Huang↗

In this work, we aim to develop effective data synthesis techniques that autonomously synthesize multimodal training data for enhancing MLLMs in solving complex real-world tasks. To this end, we propose Collective Adversarial Data Synthesis (CADS), a novel and general approach to synthesize high-quality, diverse and challenging multimodal data for MLLMs. The core idea of CADS is to leverage collective intelligence to ensure high-quality and diverse generation, while exploring adversarial learning to synthesize challenging samples for effectively driving model improvement. Specifically, CADS operates with two cyclic phases, i.e., Collective Adversarial Data Generation (CAD-Generate) and Collective Adversarial Data Judgment (CAD-Judge). CAD-Generate leverages collective knowledge to jointly generate new and diverse multimodal data, while CAD-Judge collaboratively assesses the quality of synthesized data. In addition, CADS introduces an Adversarial Context Optimization mechanism to optimize the generation context to encourage challenging and high-value data generation. With CADS, we construct MMSynthetic-20K and train our model R1-SyntheticVL, which demonstrates superior performance on various benchmarks.

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13.
arXiv (CS.CV) 2026-06-12

SAM-Deep-EIoU: Selective Mask Propagation for Multi-Object Tracking

Authors:
Alexander Holmberg↗

Multi-object tracking has a heavy-tailed difficulty distribution: most frames are easy for a lightweight base tracker, while a small fraction are intrinsically hard. Video object segmentation (VOS) models can often preserve identity through the hard frames where the base tracker fails, but they are much more expensive in compute and memory. We propose selective mask propagation, a tracking algorithm that dispatches from a base tracker to a VOS model only on windows where an assignment-uncertainty signal fires. The base tracker's output is modified only when the VOS model makes a confident prediction that contradicts the base tracker's identity assignment; weak or inconclusive predictions preserve the base output. The method is training-free, treats both the base tracker and the VOS model as black boxes, and can benefit from replacing the VOS component with a more capable model. On DanceTrack, selective mask propagation improves three different base trackers. On SportsMOT, where identity preservation is central to sports analytics, SAM3-Deep-EIoU with global track association achieves state-of-the-art performance on the benchmark with 86.8 HOTA.

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

Can LLM Agents Infer World Models? Evidence from Agentic Automata Learning

Authors:
Reef Menaged↗Gili Lior↗Shauli Ravfogel↗Roee Aharoni↗Gabriel Stanovsky↗

We propose agentic automata learning to evaluate the extent to which tool-calling LLM agents can uncover hidden environments through interaction. In our setup, an agent should uncover a hidden deterministic finite automaton (DFA) by interacting with an oracle through (1) membership queries ("Does this string belong to the target language?") and (2) equivalence queries ("Is this the target DFA?"). This yields a scalable testbed with controlled task complexity, measurable interaction efficiency, and strong baselines (classic automata-learning algorithms). Evaluating state-of-the-art LLMs, we find that performance drops sharply as DFA size increases. Reasoning models are markedly stronger than non-reasoning models, yet trajectory analyses reveal recurring failures in query planning, evidence integration, and hypothesis construction. Overall, our results show that current LLM agents can sometimes perform non-trivial interactive discovery, but remain far less robust and efficient than classic algorithms for the task.

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15.
arXiv (CS.AI) 2026-06-16

Beyond Case Law: Evaluating Structure-Aware Retrieval and Safety in Statute-Centric Legal QA

Authors:
Kyubyung Chae↗Jewon Yeom↗Jeongjae Park↗Seunghyun Bae↗Ijun Jang↗Hyunbin Jin↗Jinkwan Jang↗Taesup Kim↗

arXiv:2604.06173v2 Announce Type: replace-cross Abstract: Legal QA benchmarks have predominantly focused on case law, overlooking the unique challenges of statute-centric regulatory reasoning. In statutory domains, relevant evidence is distributed across hierarchically linked documents, creating a statutory retrieval gap where conventional retrievers fail and models often hallucinate under incomplete context. We introduce SearchFireSafety, a structure- and safety-aware benchmark for statute-centric legal QA. Instantiated on fire-safety regulations as a representative case, the benchmark evaluates whether models can retrieve hierarchically fragmented evidence and safely abstain when statutory context is insufficient. SearchFireSafety adopts a dual-source evaluation framework combining real-world questions that require citation-aware retrieval and synthetic partial-context scenarios that stress-test hallucination and refusal behavior. Experiments across multiple large language models show that graph-guided retrieval substantially improves performance, but also reveal a critical safety trade-off: domain-adapted models are more likely to hallucinate when key statutory evidence is missing. Our findings highlight the need for benchmarks that jointly evaluate hierarchical retrieval and model safety in statute-centric regulatory settings.

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

On-chip semi-device-independent quantum random number generator exploiting contextuality

Authors:
Maddalena Genzini↗Caterina Vigliar↗Mujtaba Zahidy↗Hamid Tebyanian↗Andrzej Gajda↗Klaus Petermann↗Lars Zimmermann↗Davide Bacco↗Francesco Da Ros↗

arXiv:2601.08392v2 Announce Type: replace Abstract: We present a semi-device-independent quantum random number generator (QRNG) based on the violation of a contextuality inequality, implemented by the integration of two silicon photonic chips. Our system combines a heralded single-photon source with a reconfigurable interferometric mesh to implement qutrit state preparation, transformations, and measurements suitable for testing a KCBS contextuality inequality. This architecture enables the generation of random numbers from the intrinsic randomness of single-photon interference in a complex optical network, while simultaneously allowing a quantitative certification of their security without requiring entanglement. We observe a contextuality violation exceeding the classical bound by more than 10{\sigma}, unambiguously confirming non-classical behavior. From this violation, we certify a conditional min-entropy per experimental round of Hmin = 0.077 +- 0.002, derived via a tailored semidefinite-programming-based security analysis. Each measurement outcome therefore contains at least 0.077 +- 0.002 bits of extractable genuine randomness, corresponding to an asymptotic generation rate of 21.7 +- 0.5 bits/s. These results establish a viable route towards general-purpose, untrusted quantum random number generators compatible with practical integrated photonic quantum networks.

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17.
arXiv (CS.CL) 2026-06-16

AdaPLD: Adaptive Retrieval and Reuse for Efficient Model-Free Speculative Decoding

Authors:
Runheng Liu↗Jincheng Xie↗Wen Hu↗Xingchen Xiao↗Heyan Huang↗

Speculative decoding accelerates generation by verifying multiple drafted tokens in a single target-model forward pass, reducing sequential decoding iterations. Model-free variants avoid auxiliary draft models by reusing text and model states already available during generation, but their speedup depends on the reliability of the constructed drafts. We identify two limitations of existing reuse-based methods: lexically anchored retrieval has limited recall under surface-form variation, and deterministic span copying can be brittle when the retrieved context does not uniquely determine the continuation. We propose AdaPLD, a training-free method that adaptively improves both retrieval and draft construction. AdaPLD preserves high-precision lexical reuse while using semantic similarity to recover additional reuse opportunities when lexical matching fails. It further constructs branched reuse hypotheses to account for continuation uncertainty, rather than relying on a single copied span. Across diverse benchmarks, AdaPLD reduces target-model forward passes and achieves up to $3.10\times$ decoding speedup.

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18.
medRxiv (Medicine) 2026-06-15

Midwifery Practice in Conflict Contexts: Lived Experiences from Somalia and Nigeria

Authors:
Elnakib↗Ngozi Iwu↗Mohammed↗H. A↗Mary↗Tappis↗Charity↗Rejoice Helma↗Israel-Isah↗Kazeem Olalekan↗Odonye↗Ahmed↗…

Background: Midwives are a central cadre in the health system, particularly in conflict-affected settings where they are sometimes the primary or even only skilled providers available. Yet, despite their critical role, there is limited qualitative evidence capturing their lived experiences and how these shape workforce entry, retention, and overall well-being. Methods: Drawing on a phenomenological research methodology, this qualitative study was embedded within a larger prospective longitudinal cohort of midwifery students and graduates in Somalia and Nigeria. We conducted focus group discussions with graduate midwives (n=48 in Nigeria; n=63 in Somalia) to explore their experiences transitioning into the workforce and their realities working in health systems impacted by conflict and violent insecurity. Data were analysed using inductive thematic analysis. Results: Five themes emerged from the data: (1) job search and workforce entry, which was described as fraught with challenges and shaped by a set of formal systems in Nigeria but informal networks and structural barriers in Somalia (2) working conditions that were marked by resource scarcity, infrastructural challenges, and heavy and unreasonable workloads, (3) safety, security and coping strategies that differed across the two contexts but reflected persistent exposure to violence and a reliance on ad hoc and personal coping in lieu of systematic protection, (4) community perceptions of midwives, shaped and constrained by social and gender norms and (5) mental health and emotional wellbeing, highlighting stress, burnout and moral injury experienced by this cadre. Conclusion: Our findings highlight the profound challenges faced by midwives working in conflict-affected settings, and they shine a light on the urgent need to support and invest in this critical and predominantly female health workforce.

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

MFEN:Multi-Frequency Expert Network for Visible-Infrared Person Re-ID

Authors:
Xulin Li↗Yan Lu↗Bin Liu↗Qinhong Yang↗Qi Chu↗Tao Gong↗Nenghai Yu↗

Visible-infrared person re-identification (VI-ReID) is challenging due to the large modality discrepancy between visible and infrared images. We contend that this discrepancy is largely related to differing lighting conditions, including differences in light wavelength and light source type. Recently, frequency-based VI-ReID approaches have achieved notable success because frequency information can better extract identity-relevant contours and details while excluding irrelevant lighting and color. However, existing methods either do not distinguish different frequency bands or focus on only one band, which is insufficient under diverse lighting conditions. To perform comprehensive frequency domain learning, we propose a Multi-Frequency Expert Network (MFEN) that enables multi-frequency modulation and adaptively combines different bands through a mixture-of-experts design. We further introduce Random Frequency Augmentation (RFA) and Frequency Auxiliary Optimization (FAO) to better train MFEN. The three modules are complementary and jointly capture critical frequency-domain details for robust representation learning. Extensive experiments on three VI-ReID datasets demonstrate the effectiveness of our approach.

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20.
arXiv (CS.CV) 2026-06-18

LARE: Low-Attention Region Encoding for Text-Image Retrieval

Authors:
Abdulmalik Alquwayfili↗Faisal Almeshal↗Jumanah Almajnouni↗Leena Alotaibi↗Faisal Alhajari↗Mohammed Alkhrashi↗Alreem Almuhrij↗Abdullah Aldwyish↗Raied Aljadaany↗Huda Alamri↗Muhammad Kamran J. Khan↗

Image retrieval in crowded scenes is particularly challenging due to the salience bias of conventional visual encoders, which tend to focus on dominant objects while neglecting low-attention regions that are often crucial for fine-grained retrieval. We propose LARE (Low-Attention Region Encoding), a framework that explicitly models these overlooked regions. LARE adopts a dual-encoding strategy that encodes low-attention regions of an image and the full image in parallel, leading to more diverse and informative image embeddings. To evaluate image retrieval performance in challenging crowded scenes, we introduce Dense-Set, a challenging subset derived from COCO and Flickr30K. In this subset, images are re-captioned to provide richer descriptions of low-attention or previously overlooked regions. This dataset highlights the limitations of existing retrieval models and enables a more rigorous evaluation under densely crowded scene conditions. Experimental results demonstrate that the proposed framework improves retrieval performance by preserving subtle, non-dominant visual cues within the shared latent space.

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21.
bioRxiv (Bioinfo) 2026-06-18

Predicting optimal growth temperatures of bacteria using learned structural information from a single protein

Authors:
Hoffert↗Myerscough↗Dragone↗N. B↗Gebert↗M. J↗Silberg↗J. J↗Fierer↗

Temperature is a fundamental determinant of bacterial physiology and ecology. Optimal growth temperature (OGT) is highly variable across species, contributing to differences in where and when species are most likely to thrive. Although the OGTs for most bacteria remain unknown, the increasing availability of genomes from uncultivated and cultivated taxa has made it advantageous to build genomic, cultivation-independent models to infer OGT. However, pre-existing genomic models often lack the generalizability and mechanistic grounding required for robust inferences of OGT. We propose a novel framework for predicting bacterial OGT which uses learned protein structural signatures of thermal adaptation. We hypothesize that biophysical tradeoffs which dictate enzymatic functions across variable temperatures provide a more robust empirical basis for OGT prediction than broad genomic features. Our OGT-predicting model, ROSEATE, is based on a single gene, adenylate kinase (ADK), that encodes for a ubiquitous enzyme essential for energy homeostasis. ROSEATE uses high-dimensional latent space encoding via MSA Transformer, a protein language model which embeds ADKs in a manner which preserves biophysical information about embedded proteins. We show that the accuracy of the ROSEATE model is on par with other genome-based models, has a high degree of phylogenetic generalizability, and the ESM embeddings effectively capture key temperature-adaptive enzyme characteristics derived from AlphaFold structures. Because ROSEATE is based on analyses of a single ubiquitous protein, it can be used with metagenomic data to infer the community-level variation in bacterial OGTs. We demonstrate this feature of ROSEATE by reconstructing ADK sequences from over 500 environmental and host-associated metagenomes, successfully distinguishing community-wide thermal preferences across diverse habitats, from polar oceans to mammalian guts. By transitioning from genomic proxies to informationally dense protein structural features, this work provides an efficient, interpretable tool for predicting bacterial OGTs across taxa and whole communities.

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

PATCH: Action-Chunk-Conditioned Latent Patch Innovation Monitoring for Robot Manipulation

Authors:
Yanan Zhou↗Ranpeng Qiu↗Yincong Chen↗Jiajie Cui↗Weiming Zhi↗

Learning-based manipulation policies have made substantial progress in real-world robot manipulation, particularly for short-horizon action generation. However, deployment in open workspaces remains fragile under unexpected local scene dynamics, such as moving objects, transient occlusions, or disturbances near the intended motion. Existing runtime monitors often rely on global observation anomalies, policy uncertainty, or frame-level visual changes, and struggle to distinguish task-relevant execution risk from benign visual variation. We introduce PATCH, an action-chunk-conditioned latent patch innovation monitor for deployment-time intervention. Given the active action chunk, PATCH defines a projected execution corridor, predicts latent patch evolution inside it, and accumulates persistent residuals unexplained by the robot's own motion. These residuals form a localized intervention signal that allows PATCH-Router to pause execution, select an available recovery source, and resume the original policy once localized innovation subsides. Experiments on real robot rollout data show that PATCH produces more stable and context-relevant triggers than competing runtime monitors. Real-robot deployment further demonstrates monitor-driven intervention and policy resumption for disturbance-aware manipulation. Project Page: https://yananzhou5555.github.io/PATCH/.

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

Learning from the Self-future: On-policy Self-distillation for dLLMs

Authors:
Yifu Luo↗Zeyu Chen↗Haoyu Wang↗Xinhao Hu↗Yuxuan Zhang↗Zhizhou Sha↗Shiwei Liu↗

On-policy self-distillation (OPSD) has proven effective for post-training large language models (LLMs), yet its application to diffusion LLMs (dLLMs) remains unexplored. Existing OPSD methods are inherently autoregressive-centric. They inject privileged information via left-to-right prefix conditioning with token-level divergence supervision, a design that fundamentally conflicts with the arbitraryorder generation of dLLMs. We introduce d-OPSD, the first OPSD framework tailored for dLLMs. Our approach makes two core contributions. First, we reframe self-teacher construction by using self-generated answers as suffix conditioning, enabling the student model to learn from "self future-experience" rather than privileged prefixes. Second, we shift supervision from token-level to step-level, aligning training with the iterative denoising process of dLLMs. Experiments across four reasoning benchmarks show that d-OPSD consistently outperforms RLVR and SFT baselines with superior sample efficiency, requiring only around 10% of the optimization steps by RLVR and opening a promising pathway for dLLM posttraining. The code is available at https://github.com/xingzhejun/d-OPSD.

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

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

Authors:
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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25.
arXiv (CS.LG) 2026-06-16

Learning Topological Representations for Molecular Dynamics

Authors:
Dominik Geng↗Florian Graf↗Martin Uray↗Roland Kwitt↗

arXiv:2606.14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings. Designing descriptors that are both expressive and broadly applicable, however, remains challenging. We study persistent homology (PH) as a general-purpose representation for MD and introduce the masked Flood complex, a protein-tailored modification of a recently introduced simplicial complex construction that emphasizes inter-residue structure at low computational cost. Vectorized persistence diagrams then provide information-rich, geometry-aware summaries of protein conformations, which we evaluate on protein class prediction, frame-level observable regression, and Markov state model (MSM) estimation from learned low-dimensional coordinates in a single shared representation space. Results on the mdCATH dataset show that PH-based descriptors are competitive across tasks, with masked Flood PH yielding the most consistent overall performance. Further, when using topologically-informed MSMs as a drop-in replacement within the recent MarS-FM framework for generative modeling of protein conformations, we obtain consistently better ensemble statistics than MSMs based on physical observables. Finally, we explore the transferability of the generative model to qualitatively different, fast folding, proteins.

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