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01.
arXiv (quant-ph) 2026-06-16

Experimental Observation of Dynamical Phase Transitions in a Dephased Photonic Quantum Walk

作者:
Xiaojian Huang↗Lei Xiao↗Bingzi Huo↗Xiaowei Wang↗Stefano Longhi↗Peng Xue↗

arXiv:2606.15935v1 Announce Type: new Abstract: Dynamical phase transitions in open quantum systems govern how non-equilibrium states relax toward a stationary state. We study these transitions experimentally using a discrete-time photonic quantum walk on a three-node graph. A tunable synthetic gauge flux and calibrated dephasing allow us to control time-reversal symmetry and the detailed balance properties of the effective Markovian dynamics. With detailed balance, we observe a first-order dynamical phase transition marked by a crossing of real Liouvillian eigenvalues. When detailed balance is broken, we observe a second-order dynamical phase transition at an exceptional point where eigenvalues and eigenvectors coalesce. By progressively reducing the dephasing strength, we track the crossover toward the quantum-coherent regime and determine that the transitions persist down to a finite threshold. Our results link Liouvillian spectral topology to relaxation criticality and demonstrate a controllable platform for engineered dissipative dynamics.

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

Optimising Temporary Accommodation Placement Across London with AI-Powered SaaS in E-Governance Systems

作者:
Hankun He↗Jordan Richards↗Gopalakrishnan Netuveli↗Kumar Aniket↗Ramya Pachatcharam↗Binta Ade-olusile↗Nathan Nagaiah↗Matthew I Bellgard↗

arXiv:2606.16652v1 Announce Type: cross Abstract: Temporary accommodation has become a major fiscal and administrative pressure for English local authorities, particularly in London, where demand and costs have risen sharply. This paper documents the creation and use of DOMUS, a cloud-based, AI-enabled decision-support system built from scratch at the University of East London and customised for the needs of London Borough of Newham to support statutory Temporary accommodation placement. DOMUS integrates household case records, policy-constrained affordability and suitability rules, and live private-rental listings within a single governance-aligned workflow. The system combines transparent, rule-based filtering with large language model-assisted search to standardise the application of bedroom need, affordability thresholds, geographic preferences, and accessibility requirements, while preserving officer discretion and audibility. Household and property attributes are encoded into policy-consistent representations prior to AI-assisted ranking and explanation. A pilot deployment in Newham's secure environment evaluated operational performance relative to manual workflows. Results indicate substantial reductions in search time, improved adherence to key placement constraints, and high staff satisfaction, while maintaining statutory compliance and role-based accountability. Beyond TA, the paper frames DOMUS as replicable digital public infrastructure: a modular, cloud-native Software-as-a-Service architecture that can be deployed across other UK boroughs and adapted to other public administration tasks characterised by scarcity, rule-bound eligibility, and high stakes. The findings demonstrate the feasibility of scalable, ethically governed AI deployment in local government and contribute to debates on AI-enabled public value creation in e-governance.

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

ExpRL: Exploratory RL for LLM Mid-Training

作者:
Violet Xiang↗Amrith Setlur↗Chase Blagden↗Nick Haber↗Aviral Kumar↗

arXiv:2606.17024v1 Announce Type: new Abstract: Sparse reward reinforcement learning (RL) has become a standard tool for improving LLM reasoning, but its success depends critically on the coverage present in the base model. In practice, models are often primed for RL through mid-training on curated reasoning traces that teach useful primitive skills such as decomposition, verification, or self-correction. Although effective, this strategy requires manually specifying what the model should learn, and it remains unclear whether such primitive coverage is enough for much harder problems, which require combining these skills into broader solution strategies. We study a more automated approach: RL-based mid-training using large corpora of human-written question-answer data. Rather than treating reference solutions as targets to imitate, our method, ExpRL, uses them as reward scaffolds: references are hidden from the policy and used only to construct problem-specific grading rubrics for judging on-policy reasoning traces. The policy samples from the original problem prompt, while an LLM judge compares the sampled reasoning trace against the reference solution and assigns outcome-level or process-level dense rewards. This lets ExpRL reinforce partial progress, useful intermediate reductions, and productive reasoning behaviors that sparse final-answer rewards often fail to upweight. On challenging math reasoning tasks, ExpRL yields stronger RL priming than SFT, sparse-reward GRPO, and self-distillation, and provides a better initialization for subsequent sparse-reward RL. Additional mixed-domain experiments further suggest that ExpRL can extend beyond the original math-only setting.

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

When RAG Hurts: Diagnosing and Mitigating Attention Distraction in Retrieval-Augmented LVLMs

作者:
Beidi Zhao↗Wenlong Deng↗Xinting Liao↗Yushu Li↗Nazim Shaikh↗Yao Nie↗Xiaoxiao Li↗

While Retrieval-Augmented Generation (RAG) is one of the dominant paradigms for enhancing Large Vision-Language Models (LVLMs) on knowledge-based VQA tasks, recent work attributes RAG failures to insufficient attention towards the retrieved context, proposing to reduce the attention allocated to image tokens. In this work, we identify a distinct failure mode that previous study overlooked: Attention Distraction (AD). When the retrieved context is sufficient (highly relevant or including the correct answer), the retrieved text suppresses the visual attention globally, and the attention on image tokens shifts away from question-relevant regions. This leads to failures on questions the model could originally answer correctly without the retrieved text. To mitigate this issue, we propose MAD-RAG, a training-free intervention that decouples visual grounding from context integration through a dual-question formulation, combined with attention mixing to preserve image-conditioned evidence. Extensive experiments on OK-VQA, E-VQA, and InfoSeek demonstrate that MAD-RAG consistently outperforms existing baselines across different model families, yielding absolute gains of up to 4.76%, 9.20%, and 6.18% over the vanilla RAG baseline. Notably, MAD-RAG rectifies up to 74.68% of failure cases with negligible computational overhead.

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

GMN4AD: Graph Matching Network for Alzheimer's Disease Diagnosis with Test-Time Domain Adaptation using Multi-centered Structure Magnetic Resonance Imaging

作者:
Chen Zhao↗Huan Huang↗Yixin Xie↗Jiajing Huang↗Weihua Zhou↗Nandakumar Narayanan↗

Alzheimer's Disease (AD) is a progressive neurodegenerative disorder that affects millions of older adults, with prevalence expected to rise significantly in the coming years. Early diagnosis, particularly during the mild cognitive impairment (MCI) stage, is critical for timely intervention. Structural Magnetic Resonance Imaging (sMRI) has emerged as a key modality for detecting AD-related brain changes, but traditional graph-based approaches often struggle with modality and inter-site heterogeneity, limiting diagnostic performance. In this paper, we propose Graph Matching Network for Alzheimer's Disease Diagnosis (GMN4AD), designed to model interactions between heterogeneous brain graphs derived from neuroimaging data. Unlike conventional methods that treat each brain graph independently, GMN4AD leverages graph matching to capture cross-graph relationships, enhancing diagnostic precision. Furthermore, we introduce a test-time domain adaptation strategy that combines contrastive learning to mitigate domain shifts during inference. Extensive experiments on three public AD datasets demonstrate that GMN4AD achieves superior performance compared to state-of-the-art methods, offering a robust and generalizable solution for AD diagnosis.

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

HYDRA-X: Native Unified Multimodal Models with Holistic Visual Tokenizers

作者:
Guozhen Zhang↗Xuerui Qiu↗Yutao Cui↗Tianhui Song↗Changlin Li↗Junzhe Li↗Tao Huang↗Xiao Zhang↗Yang Li↗Jianbing Wu↗Miles Yang↗Zhao Zhong↗…

Holistic visual tokenizers are fundamental to unified multimodal models (UMMs) as they map diverse visual inputs into a unified representation space. In this paper, we present HYDRA-X, the first UMM that unifies image and video tokenization within a single Vision Transformer (ViT). Our design is driven by two core challenges: efficiently injecting spatiotemporal reconstruction capability into a native ViT, and embedding image- and video-level semantic awareness into the latent space. To address the first, comprehensive ablations reveal two key findings: (1) frame-level causal temporal attention suffices for visual reconstruction, whereas full spatiotemporal attention degrades it; and (2) hierarchical temporal compression substantially outperforms single-step alternatives. To tackle the second, we propose a lightweight decompressor that upsamples temporally compressed features under joint image-video teacher supervision, thereby enforcing complementary semantic structures within the compact latent space. Building on this holistic tokenizer, we further propose a principled improvement of the editing pipeline: source-target interaction should occur at the latent level inside the tokenizer rather than at the semantic level inside the LLM, substantially improving editing consistency and accelerating convergence. Instantiated at the 7B dense model, HYDRA-X achieves strong performance across image and video understanding and generation tasks, paving the way for future unified-tokenizer UMMs.

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08.
arXiv (quant-ph) 2026-06-25

Analytic Approach to Quantum Control Using Quantum Signal Processing

作者:
Aishwarya Majumdar↗John M. Martyn↗Yuan Liu↗Nathan Wiebe↗

arXiv:2606.26085v1 Announce Type: new Abstract: Realizing coherent quantum computation requires precise and robust manipulation of quantum systems through quantum control protocols. Most quantum control techniques rely on heuristic methods for designing the driving pulses that steer the system towards a target state. Such methods are often based on brute-force optimization and offer limited understanding of the solution landscape. In contrast, quantum algorithms offer a rich body of analytical methods with rigorous error guarantees for implementing unitary and non-unitary transformations, which suggests a promising direction for developing new approaches to quantum control. Among various such algorithms, quantum signal processing (QSP) has emerged as a powerful framework for quantum algorithm design, implementation, and optimization. However, its potential for quantum control remains largely unexplored. In this work, we establish QSP-Control, an analytical framework for quantum control of qubit-oscillator dynamics. We focus on dispersively coupled qubit-oscillator systems and employ the QSP formalism to mitigate unwanted nonlinear effects arising from cross-Kerr interactions. In addition, we develop constructions for precise manipulation of Fock states by designing Fock-state-selective operators, based on structural parallels between the Jaynes-Cummings interaction and QSP. These findings demonstrate how several practically relevant problems in quantum control can be mapped to forms amenable to QSP, offering both a systematic design framework and an interpretable perspective on quantum control.

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09.
arXiv (math.PR) 2026-06-25

Pointwise Hurst Estimation via Scale Accumulation: A Noise-Robust Approach for Rough Volatility

作者:
Jokubas Petkevicius↗

arXiv:2606.25771v1 Announce Type: cross Abstract: We introduce an estimator for the pointwise, time-varying Hölder exponent (Hurst parameter) of a stochastic process, based on the geometry accumulation integral G_Lambda(t) = integral from Lambda to 1 of |eth_s X(t)| s^{-1} ds, where eth_s X(t) = (X(t+s)-X(t))/s is the scale derivative at resolution s. We prove consistency, noise robustness with explicit threshold Lambda* = sigma^{1/H}, and a CLT at rate (log Lambda)^{-1/2}. The estimator is pointwise in time, defined at finite resolution, and eliminates microstructure noise by scale separation. Existing estimators give a global H from integrated variance; this gives a time-varying H(t) directly from the price path.

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10.
arXiv (CS.LG) 2026-06-19

Reversible Residual Normalization Alleviates Spatio-Temporal Distribution Shift

作者:
Zhaobo Hu↗Vincent Gauthier↗Mehdi Naima↗

arXiv:2604.15838v2 Announce Type: replace Abstract: Distribution shift severely degrades the performance of deep forecasting models. While this issue is well-studied for individual time series, it remains a significant challenge in the spatio-temporal domain. Effective solutions like instance normalization and its variants can mitigate temporal shifts by standardizing statistics. However, distribution shift on a graph is far more complex, involving not only the drift of individual node series but also heterogeneity across the spatial network where different nodes exhibit distinct statistical properties. To tackle this problem, we propose Reversible Residual Normalization (RRN), a novel framework that performs spatially-aware invertible transformations to address distribution shift in both spatial and temporal dimensions. Our approach integrates graph convolutional operations within invertible residual blocks, enabling adaptive normalization that respects the underlying graph structure while maintaining reversibility. By combining Center Normalization with spectral-constrained graph neural networks, our method captures and normalizes complex Spatio-Temporal relationships in a data-driven manner. The bidirectional nature of our framework allows models to learn in a normalized latent space and recover original distributional properties through inverse transformation, offering a robust and model-agnostic solution for forecasting on dynamic spatio-temporal systems.

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11.
medRxiv (Medicine) 2026-06-24

Rapid-Response Viral Genome Detection using TWIST Capture and Nanopore Flongle Sequencing

作者:
Rector↗Bloemen↗Swinnen↗Karatas↗De Coninck↗Matthijnssens↗Van Ranst↗Wollants↗

Background: Rapid detection of viral pathogens can be challenging, especially when routine PCR fails. Conventional assays typically detect known viruses which are specifically targeted by the assay, which may result in the failure to identify novel or non-targeted viruses. Broad-range hybrid-capture sequencing enables unbiased detection of viruses, including those that are uncommon or divergent. Methods: We combined the TWIST Comprehensive Viral Research Panel (>3,000 virus species) with Oxford Nanopore Flongle sequencing for easy and quick viral genome detection. The workflow includes random-primed cDNA synthesis, dsDNA conversion, TWIST probe enrichment, and Nanopore sequencing. Performance was evaluated using the QCMD 2024 Viral Metagenomics EQA panel and one clinical sample. Results: All expected targets of the QCMD 2024 Viral Metagenomics EQA panel were detected; eight of thirteen viruses achieved [≥]90% genome coverage. The negative control showed no targeted viral reads. Mixed infections of DNA and RNA viruses were resolved accurately. The workflow from nucleic acid extraction to obtaining sequence data was completed within 3 days.

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

Active Learning with Low-Rank Structure for Data Selection

作者:
Vincent Cohen-Addad↗Sasidhar Kunapuli↗Vahab Mirrokni↗Mahdi Nikdan↗David P. Woodruff↗Samson Zhou↗

arXiv:2606.16045v1 Announce Type: new Abstract: In the data selection problem, the objective is to choose a small, representative subset of data that can be used to efficiently train a machine learning model. Sener and Savarese [ICLR 2018] showed that, given an embedding representation of the data and suitable geometric assumptions, heuristics based on $k$-center clustering can be used to perform data selection. This perspective was further explored by Axiotis et. al. [ICML 2024], who proposed a data selection approach based on $k$-means clustering and sensitivity sampling. However, these methods rely on the assumption that the dataset exhibits intrinsic geometric structure that can be effectively captured by clustering, whereas many modern datasets instead possess global algebraic structure that is better exploited by low-rank approximation or principal component analysis. In this paper, we introduce a new data selection framework based on low-rank approximation and residual-based sampling, formulated through the lens of row subset selection and loss-preserving coreset construction. Given an embedding representation of the data satisfying mild regularity conditions, which can be interpreted as algebraic or angular notions of Lipschitz continuity, we show that it is possible to select a weighted subset of $\tilde{O}\left(k + \frac{1}{\varepsilon^2}\right)$ data points whose average loss approximates the average loss over the full dataset within a $(1+\varepsilon)$ relative error, up to an additive $\varepsilon \Phi_k$ term, where $\Phi_k$ denotes the optimal rank-$k$ approximation cost of the embedding matrix. We complement these theoretical guarantees with empirical evaluations, demonstrating that on a range of real-world datasets, our data selection approach achieves improved performance over prior strategies based on uniform sampling or clustering-based sensitivity sampling.

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13.
arXiv (CS.CV) 2026-06-16

ReportQA: QA-Based Radiology Report Evaluation

作者:
Yiming Shi↗Shaoshuai Yang↗Xi Chen↗Haolin Li↗Hengyu Zhang↗Che Jiang↗Kaiwen Wang↗Xun Zhu↗Dong Xie↗Fei Wang↗Dejing Dou↗Miao Li↗…

Radiology report evaluation is essential for advancing automated report generation. Natural language generation metrics have limited clinical relevance. Clinical efficacy (CE) metrics evaluate important medical findings, but focus mainly on presence and cover only a limited set of entities. Due to heavy reliance on manual annotations, it is difficult for CE metrics to extend clinical entities or attributes. In clinical practice, radiology reports serve as a medium for information transfer. Clinicians use them to perform downstream diagnostic tasks without directly inspecting images. Based on this insight, we propose ReportQA, a clinical-related and flexible radiology report evaluation framework, supporting detailed quantitative analysis of radiology report generation systems. We first collect datasets covering multiple imaging modalities and anatomical regions. We then construct knowledge trees of clinical entities and attributes with radiologist guidance, and use large language models (LLMs) to extract structured information from raw reports. Next, we generate QA pairs from predefined templates and apply quality control through self-filtering and report-based filtering. During evaluation, the report is treated as context, and an LLM acts as a judge model to answer the QA pairs. Based on the resulting QA accuracy, we introduce QAScore metric. Compared with existing metrics, QAScore shows better alignment with radiologist judgments. Experiments on multiple state-of-the-art vision-language models reveal that current report-based inference paradigms struggle to learn fine-grained clinical representations and exhibit strong negative prior biases. In contrast, question-driven inference provides a more effective alternative. For reproducibility and extensibility, we release the knowledge trees, structured reports, and QA pairs, along with the pipeline code for QA construction and evaluation.

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14.
arXiv (CS.LG) 2026-06-24

FAIRVAR: Fair Federated Learning via Variance Regularization

作者:
Zahra Kharaghani↗Ali Dadras↗Tommy L\"ofstedt↗

arXiv:2508.12042v3 Announce Type: replace Abstract: Federated learning (FL) allows collaborative training of machine learning models across multiple parties without sharing raw data. However, heterogeneous data can cause some clients to have disproportionate influence on the global model, leading to disparities in their performance. Fairness, understood as reducing these disparities, is therefore a crucial concern in FL and has been addressed in various ways. We studied performance equitable fairness in FL, where the goal is to minimize performance disparities across clients. We evaluated several existing fairness-aware methods and introduce here a new gradient-variance-regularized method, implemented in two variants: FairGrad (approximate) and FairGrad* (exact). We theoretically characterize the connections between these methods and, empirically, on heterogeneous benchmarks, show that FairGrad and FairGrad* consistently improve fairness by reducing variance in client accuracies, while maintaining competitive or improved mean performance compared to existing fairness-aware baselines.

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

The Algorithm Is Not the Behavior: Learned Priors Override Look-Ahead in a Chess-Playing Neural Network

作者:
Elias Sandmann↗Sebastian Lapuschkin↗Wojciech Samek↗

arXiv:2508.21380v3 Announce Type: replace-cross Abstract: Recent mechanistic work has uncovered learned algorithms within neural networks, from modular arithmetic to search and planning in game-playing agents. But does algorithmic structure guarantee algorithmic behavior? We investigate this in Leela Chess Zero, the strongest neural chess engine, where prior work identified learned look-ahead. By extending the logit lens to its move-selecting policy network, we discover that correct puzzle solutions-including immediate checkmates-often appear in intermediate layers but are systematically overridden in the final output, a phenomenon we term "forgotten puzzles". Replicating prior analyses on these positions, we find that look-ahead operates normally-future moves of the correct continuation are represented, causally important, and linearly decodable-ruling out a failure of the algorithm itself. Instead, late layers increasingly shift toward prioritizing safe play over aggression. To test whether this shift drives the override, we steer the model against these preferences and recover 61.7% of forgotten puzzles, providing causal evidence that safety priors override algorithmically computed solutions. These findings demonstrate that algorithmic structure does not guarantee algorithmic behavior: a model can internally solve a problem and still output the wrong answer.

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16.
arXiv (CS.AI) 2026-06-24

When AI Meets Finance (StockAgent): Large Language Model-based Stock Trading in Simulated Real-world Environments

作者:
Chong Zhang↗Xinyi Liu↗Zhongmou Zhang↗Mingyu Jin↗Lingyao Li↗Zhenting Wang↗Wenyue Hua↗Dong Shu↗Suiyuan Zhu↗Xiaobo Jin↗Sujian Li↗Mengnan Du↗…

arXiv:2407.18957v5 Announce Type: replace-cross Abstract: Can AI Agents simulate real-world trading environments to investigate the impact of external factors on stock trading activities (e.g., macroeconomics, policy changes, company fundamentals, and global events)? These factors, which frequently influence trading behaviors, are critical elements in the quest for maximizing investors' profits. Our work attempts to solve this problem through large language model based agents. We have developed a multi-agent AI system called StockAgent, driven by LLMs, designed to simulate investors' trading behaviors in response to the real stock market. The StockAgent allows users to evaluate the impact of different external factors on investor trading and to analyze trading behavior and profitability effects. Additionally, StockAgent avoids the test set leakage issue present in existing trading simulation systems based on AI Agents. Specifically, it prevents the model from leveraging prior knowledge it may have acquired related to the test data. We evaluate different LLMs under the framework of StockAgent in a stock trading environment that closely resembles real-world conditions. The experimental results demonstrate the impact of key external factors on stock market trading, including trading behavior and stock price fluctuation rules. This research explores the study of agents' free trading gaps in the context of no prior knowledge related to market data. The patterns identified through StockAgent simulations provide valuable insights for LLM-based investment advice and stock recommendation. The code is available at https://github.com/MingyuJ666/Stockagent.

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

Is My Vision-Language Data in Your AI? Membership Inference Test (MINT) Demo 2

作者:
Daniel DeAlcala↗Gonzalo Mancera↗Julian Fierrez↗Aythami Morales↗Ruben Tolosana↗Ruben Vera-Rodriguez↗

We present the Membership Inference Test (MINT) Demo 2, a framework designed to improve transparency in machine learning training processes. MINT is a technique for experimentally determining whether specific data were used during machine learning model training. We establish the theoretical framework and propose multiple architectures for MINT depending on the amount of information known about the models that are being audited. Experimental results using a popular face recognition model, 4 state-of-the-art LLMs, and multiple, diverse, and large-scale public image and text databases achieve promising accuracy levels in the detection of training data of up to 90%. Building on these results, we introduce a comprehensive web platform1 that expands these capabilities to image and text modalities. The platform integrates a diverse technological stack, including MINT, aMINT, and gMINT, allowing users to audit a wide range of models. This demonstrator aims to promote AI transparency and provides a practical tool to foster compliance with emerging AI regulations.

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18.
arXiv (CS.CL) 2026-06-11

DuDi: Dual-Signal Distillation with Cross-Lingual Verbalizer

作者:
Patomporn Payoungkhamdee↗Tinnakit Udsa↗Jian Gang Ngui↗Sarana Nutanong↗Alham Fikri Aji↗Peerat Limkonchotiwat↗

Small language models (SLMs) are efficient and scalable, but their multilingual capabilities degrade severely at sub-billion scales, especially for Southeast Asian (SEA) languages. We introduce DuDi, a dual-signal multilingual distillation framework that combines an online sequence-level signal with off-policy and on-policy token-level signals. DuDi further uses a cross-lingual verbalizer to refine teacher feedback and improve teacher-student transferability in multilingual settings. Experiments on SEA-HELM across multiple model families, scales, and teacher-student settings show that DuDi consistently outperforms competitive distillation baselines. Ablations and analyses confirm that sequence-level optimization, token-level supervision, and cross-lingual verbalization provide complementary and transferable learning signals for multilingual SLMs.

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

Tree-Structured Orthonormal Decomposition of the Aitchison Simplex

作者:
Daisuke Yamada↗Qijun Zhang↗Travis Pence↗Barbara B. Bendlin↗Federico Rey↗Vikas Singh↗

arXiv:2606.11646v1 Announce Type: new Abstract: Compositional data – vectors encoding relative proportions – arise across scientific domains, including ecology, geochemistry, and genomics. The features in these data often come with known hierarchical structure (e.g., taxonomies, phylogenies, ontologies), yet existing methods either ignore this structure, discard the intrinsic Aitchison geometry, are designed for binary trees, or yield incomplete coordinate systems. We describe PolyILR, a canonical orthonormal decomposition of the Aitchison tangent space aligned with any tree topology. Our construction defines a weighted local geometry at each internal node capturing full branching structure, then lifts these to a global orthonormal basis where every coordinate corresponds to a specific tree location. On microbiome and single-cell benchmarks, PolyILR yields stable, interpretable features and enables inference at multiscale tree resolution. We also establish a novel theoretical connection to softmax classifiers, suggesting possible applications to probabilistic modeling.

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

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

作者:
Chen-Yang Dai↗Che-Chia Chang↗Te-Sheng Lin↗Ming-Chih Lai↗Chieh-Hsin Lai↗

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

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21.
arXiv (CS.AI) 2026-06-24

Deciphering Fingerprints of 3D Molecular Surfaces for Accurate Epitope Prediction

作者:
Fang Wu↗Weihao Xuan↗Jure Leskovec↗Yejin Choi↗Li Erran Li↗

arXiv:2606.23830v1 Announce Type: cross Abstract: Molecular surfaces encode the geometric and physicochemical patterns that determine antibody-antigen recognition, central to epitope prediction. However, existing methods rely on sequences or backbone structures and struggle to capture discontinuous, surface-driven epitopes. This study presents SurfBind, a surface-centric learning framework for epitope prediction that operates directly on molecular surface representations. SurfBind integrates geometric and physicochemical cues through a Transformer-based architecture with patch-level surface modeling, binder-aware cross-attention, and a hierarchical coarse-to-fine prediction paradigm. Experiments on challenging epitope identification benchmarks, including SAbDab and DB5.5, demonstrate that SurfBind achieves state-of-the-art performance and strong generalization across unseen antibodies and conformational states, highlighting the value of interaction-aware surface modeling for understanding the crucial mechanisms of protein-protein interactions.

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

SILAGE: Memory-Efficient, Full-Gradient-Free Nonconvex Optimization for Nested Finite Sums

作者:
Igor Sokolov↗Laurent Condat↗Peter Richt\'arik↗

arXiv:2606.15832v1 Announce Type: new Abstract: Empirical risk minimization on massive datasets naturally exhibits a nested double finite-sum structure, where $N=nm$ total samples are logically or physically partitioned into $n$ blocks of size $m$ (e.g., in pooled data silos, out-of-core learning, or deliberate stratification). While variance-reduced methods achieve optimal oracle complexities for nonconvex objectives, they suffer from severe scaling bottlenecks in this centralized regime. Recursive estimators, such as PAGE, require periodic global full-gradient refreshes over all $nm$ samples, which are computationally expensive. Conversely, single-loop methods, such as SILVER, avoid such refreshes but require an impractical $\mathcal{O}(nm)$ memory footprint to store a control variate for every sample. In this paper, we propose SILAGE, a variance-reduced algorithm that addresses this trade-off. By actively exploiting the double-sum structure, SILAGE eliminates periodic global full-gradient refreshes over all $nm$ components (evaluating at most one local group gradient per iteration) while requiring only $\mathcal{O}(n)$ memory. Furthermore, we provide a tight convergence analysis that avoids pessimistic worst-case Lipschitz constants. Instead, SILAGE's complexity natively adapts to the underlying data geometry via nested functional similarities: across-group ($\delta_1$) and within-group ($\delta_2$) heterogeneity. Our results improve existing state-of-the-art bounds in several practically relevant regimes.

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23.
bioRxiv (Bioinfo) 2026-06-11

An AI-Powered Trisomy 21 Research Assistant

作者:
NANDI↗Sundararajan↗Subirana-Granes↗Espinosa↗J. M↗Pividori↗Sullivan↗K. D↗Galbraith↗M. D↗Costello↗

Down syndrome, caused by trisomy 21, increases the risk of diverse co-occurring conditions. With more than 34,000 related publications indexed in PubMed as of early 2026, keeping pace with this expanding literature is challenging. While general-purpose large language models are widely used for information retrieval, they often rely on broad training data rather than specific evidence. Retrieval-augmented generation (RAG) improves rigor and reliability of responses by linking model outputs to source texts. In research, source texts are peer-reviewed articles. Standard implementations treat all manuscript sections equally, allowing background text to rank as highly as experimental results. To focus model outputs on experimentally supported responses, we developed the T21 Research Assistant, a section-aware RAG system that prioritizes Results sections to ground responses in primary experimental evidence. The system draws exclusively from 1,789 open-access Down syndrome publications from PubMed Central, including 327 NIH INCLUDE-funded studies, and uses a multistage pipeline for query validation, retrieval, reranking, synthesis, and citation verification. Built on NVIDIA Nemotron models, it generates structured, cited responses. Evaluation using expert-curated questions demonstrated strong performance, achieving a BERTScore F1 of 0.712 and recall of 0.758, comparable to or exceeding leading proprietary and open-source models. T21 Research Assistant is available at: https://bioinformatics.cuanschutz.edu/t21-res-assi/

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24.
arXiv (CS.CV) 2026-06-19

Composed Object Retrieval: Object-level Retrieval via Composed Expressions

作者:
Tong Wang↗Guanyu Yang↗Nian Liu↗Zongyan Han↗Jinxing Zhou↗Salman Khan↗Fahad Shahbaz Khan↗

Retrieving fine-grained visual content based on user intent remains a challenge in multimodal systems. Although current Composed Image Retrieval (CIR) methods combine reference images with retrieval texts, they are constrained to image-level matching and cannot localize specific objects. To this end, we propose Composed Object Retrieval (COR), a new object-level retrieval task that retrieves target object(s) from candidate objects in a target image and grounds the retrieved result with pixel-level masks. Given a reference object, its mask, a target image, and a retrieval text describing the desired modification, COR requires models to perform composed visual-textual reasoning rather than relying on explicit category names. This setting introduces several challenges, including fine-grained compositional matching, negative-object filtering under visually similar distractors, and flexible single- or multi-object retrieval. We construct COR125K, the first large-scale COR benchmark, containing 125,541 retrieval triplets across 408 categories with base/novel splits for evaluating category-level generalization. We also present CORE, a unified end-to-end model that integrates reference region encoding, adaptive vision-text interaction, and region-level contrastive learning to align composed representations with target objects while suppressing background and distractors. Extensive experiments demonstrate that CORE significantly outperforms existing CIR-based pipelines and strong baselines in both base and novel categories, establishing a simple and effective foundation for fine-grained object-level multimodal retrieval. Code will be released publicly at https://github.com/wangtong627/COR.

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

Uncertainty Quantification for Flow-Based Vision-Language-Action Models

作者:
Ralf R\"omer↗Maximilian Seeliger↗Saida Liu↗Ben Sturgis↗Marco Bagatella↗Daniel Marta↗Andreas Krause↗Angela P. Schoellig↗

arXiv:2606.18043v1 Announce Type: cross Abstract: Vision-language-action models (VLAs) combine vision-language backbones with expressive generative action heads trained via flow matching on large-scale robotic datasets. Despite their strong empirical performance in robotic manipulation, VLAs lack mechanisms to quantify confidence in their predictions and to detect when their actions may be unreliable. This presents a critical limitation for real-world deployment in non-stationary environments, where models inevitably encounter scenarios outside their pretraining distribution and may fail without warning. To address this, we derive an efficient method for quantifying epistemic uncertainty in flow-matching models by leveraging velocity-field disagreement (VFD) across a small ensemble. We successfully use this uncertainty estimate for failure detection during deployment and active fine-tuning of flow-based VLAs. To this end, we propose SAVE, a framework for uncertainty-guided active multitask fine-tuning that reduces the number of costly expert demonstrations required to adapt VLAs to new tasks. Through extensive experiments on the LIBERO benchmark, we demonstrate that VFD yields better-calibrated uncertainty estimates predictive of downstream performance, that VFD achieves strong performance in detecting failures, and that uncertainty-guided data acquisition with SAVE requires at least 22% fewer samples than baselines. In summary, our work shows that quantifying epistemic uncertainty in flow-based VLAs improves both failure awareness and adaptation. Project website: tum-lsy.github.io/uq_vla/.

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