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01.

arXiv (CS.CL) 2026-06-16 DOI: arXiv:2606.16568

Fast When, Careful Who: Dual-Process Multiparty Turn-Taking with Diffusion Augmentation

作者:

Rutherford A. Patamia↗Ming Liu↗Wei Luo↗Favour Ekong↗Akan Cosgun↗

Reliable turn-taking is essential for spoken dialogue systems. However, most existing methods are designed for two-speaker interaction and struggle with realistic multiparty audio containing overlap and rapid speaker changes. We study multiparty turn-taking on the VoxConverse dataset and propose an audio-only two-stage pipeline that separates when to trigger a turn boundary from whether the floor is actually transferring. A fast trigger scans the audio and proposes candidate end-of-turn times, while a lightweight verifier runs only at those times to decide \textsc{Hold} or \textsc{Shift} and support next-speaker prediction. We report results in the full multiparty setting and a controlled dyadic top-2 projection for comparability. We also investigate diffusion-based, label-preserving background-audio mixing as a data augmentation strategy. Results show improved shift detection over a baseline, with further improvements from diffusion augmentation.

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02.

arXiv (CS.CV) 2026-06-16 DOI: arXiv:2602.06335

SPDA-SAM: A Self-prompted Depth-Aware Segment Anything Model for Instance Segmentation

作者:

Yihan Shang↗Wei Wang↗Chao Huang↗Xinghui Dong↗

Recently, Segment Anything Model (SAM) has demonstrated strong generalizability in various instance segmentation tasks. However, its performance is severely dependent on the quality of manual prompts. In addition, the RGB images that instance segmentation methods normally use inherently lack depth information. As a result, the ability of these methods to perceive spatial structures and delineate object boundaries is hindered. To address these challenges, we propose a Self-prompted Depth-Aware SAM (SPDA-SAM) for instance segmentation. Specifically, we design a Semantic-Spatial Self-prompt Module (SSSPM) which extracts the semantic and spatial prompts from the image encoder and the mask decoder of SAM, respectively. Furthermore, we introduce a Coarse-to-Fine RGB-D Fusion Module (C2FFM), in which the features extracted from a monocular RGB image and the depth map estimated from it are fused. In particular, the structural information in the depth map is used to provide coarse-grained guidance to feature fusion, while local variations in depth are encoded in order to fuse fine-grained feature representations. To our knowledge, SAM has not been explored in such self-prompted and depth-aware manners. Experimental results demonstrate that our SPDA-SAM outperforms its state-of-the-art counterparts across twelve different data sets. These promising results should be due to the guidance of the self-prompts and the compensation for the spatial information loss by the coarse-to-fine RGB-D fusion operation.

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03.

arXiv (CS.LG) 2026-06-12 DOI: arXiv:2606.12552

Crossing the Validation Crisis: Cross-Validation Reduces Benchmarking Variance Surprisingly Well

作者:

C\'elestin Eve↗Ga\"el Varoquaux↗Thomas Moreau↗

arXiv:2606.12552v1 Announce Type: new Abstract: Modern machine learning progresses through empirical work, benchmarking new methods to evaluate relative performance. However, the statistical variability inherent to evaluation - exacerbated by the stochastic nature of many algorithms - often makes performance estimation unreliable due to the limited test samples available, leading to a validation crisis in which genuine advances are difficult to discern. In this work, we show that cross-validation improves markedly confidence when evaluating and comparing learning algorithm performances. We introduce the concept of sample gain, which quantifies the virtual data augmentation achieved by using multiple cross-validation splits to reduce benchmarking variance. Experiments on both synthetic and real-world datasets (histopathologic scans and NLP fine-tuning) demonstrate that multiple splits can substantially improve the reliability and stability of performance estimates, with diminishing returns often setting in later than expected. We also introduce a procedure to dynamically early-stop cross-validation by estimating from the first few folds if subsequent folds will bring large sample gains. Our findings highlight the value of pushing cross-validation on available samples to achieve robust and reliable benchmarking.

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04.

arXiv (CS.CV) 2026-06-12 DOI: arXiv:2606.12913

Selecting Samples on Graphs: A Unified Dataset Pruning Framework for Lossless Training Acceleration

作者:

Dongyue Wu↗Zilin Guo↗Xiaoyu Li↗Jiajia Liu↗Jingdong Chen↗Nong Sang↗Changxin Gao↗

The rapid growth of modern training datasets has significantly increased computational cost, motivating dataset pruning~(DP) methods which retain only a subset of informative samples to reduce training cost. Existing pruning criteria typically rely on either intrinsic signals that assess samples independently or extrinsic signals that promote diversity via pairwise relations. While effective in their own specific regimes, each captures only one aspect of sample utility and lacks robustness across different pruning ratios or data distribution. In this work, we present a unified graph-based DP framework. By modeling the dataset as a weighted graph, where node weights encode intrinsic value and edge weights encode extrinsic value, DP can be cast as a Maximum Weight Clique Problem (MWCP). Although MWCP is NP-hard, its structure admits a principled greedy solution based on sample-wise marginal gains. Under a few mild conditions, we further prove that this unified objective enjoys a formal approximation guarantee, which applies to a broad family of importance metrics and provides practical design guidelines. Extensive experiments show that our method outperforms existing DP methods while substantially reducing training cost, reducing training time by over 40\% without sacrificing accuracy on ImageNet-1k with ResNet-50.

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05.

arXiv (CS.AI) 2026-06-24 DOI: arXiv:2606.24884

InSight: Self-Guided Skill Acquisition via Steerable VLAs

作者:

Maggie Wang↗Lars Osterberg↗Stephen Tian↗Ola Shorinwa↗Jiajun Wu↗Mac Schwager↗

arXiv:2606.24884v1 Announce Type: cross Abstract: Vision-language-action (VLA) models can learn manipulation skills from demonstrations, but their capabilities are bounded by the skills in the training data. We present InSight, a framework that unlocks autonomous skill acquisition by rendering VLAs steerable at the primitive-action level (e.g., "move gripper to the bowl", "lift upward", "pour the bottle"). InSight consists of two primary stages: (1) an automated segmentation pipeline that partitions demonstrations into labeled primitives via VLM plan decomposition and end-effector poses to enable VLA primitive steerability, and (2) a VLM-guided data flywheel that identifies missing primitives required to accomplish a novel task, autonomously attempts demonstrations of the missing primitives with VLM-proposed low-level control, and automatically labels, stores, and integrates successful demonstrations into the VLA training set. We evaluate InSight across simulation and real-world manipulation tasks, including block flipping, drawer closing, sweeping, twisting, and pouring, without any human demonstrations of these target skills. Once learned, these primitives can be composed to execute novel, long-horizon tasks without additional human demonstrations. Our findings demonstrate that primitive steerability provides a practical foundation for continual skill acquisition in VLA policies. Project website: https://insight-vla.github.io.

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06.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.15950

Spectral Adaptive Conformal Prediction for Structured Non-Exchangeable Data

作者:

Jeffery Opoku↗David Banahene↗

arXiv:2606.15950v1 Announce Type: cross Abstract: Conformal prediction gives prediction intervals with finite-sample coverage when the data are exchangeable. Many time-indexed datasets are not exchangeable. They have seasons, recurring regimes, changing frequencies, or other forms of structured dependence. This paper studies a simple way to use that structure. We propose spectral adaptive conformal prediction, a method that forms weighted conformal quantiles using local spectral similarity and then updates the target miscoverage level online. The spectral weights choose calibration residuals that look relevant to the current test point. The adaptive update corrects the long-run miss rate when uncertainty changes over time. We give an approximate coverage result for the fixed spectral weighted quantile and a deterministic long-run calibration result for the adaptive update. Simulations with recurring regimes and slowly changing frequencies, together with three U.S. real-data examples, show that the hybrid method can improve on fixed spectral weighting, while also showing that spectral weighting must be monitored through effective sample size diagnostics.

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07.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2509.07605

Beyond Rebalancing: Benchmarking Binary Classifiers Under Class Imbalance Without Rebalancing Techniques

作者:

Ali Nawaz↗Amir Ahmad↗Shehroz S. Khan↗

arXiv:2509.07605v2 Announce Type: replace-cross Abstract: Class imbalance poses a significant challenge to supervised classification, particularly in critical domains like medical diagnostics and anomaly detection where minority class instances are rare. While numerous studies have explored rebalancing techniques to address this issue, less attention has been given to evaluating the performance of binary classifiers under imbalance when no such techniques are applied. Therefore, the goal of this study is to assess the performance of binary classifiers "as-is", without performing any explicit rebalancing. Specifically, we systematically evaluate the robustness of a diverse set of binary classifiers across both real-world and synthetic datasets, under progressively reduced minority class sizes, using one-shot and few-shot scenarios as baselines. Our approach also explores varying data complexities through synthetic decision boundary generation to simulate real-world conditions. In addition to standard classifiers, we include experiments using undersampling, oversampling strategies, and one-class classification (OCC) methods to examine their behavior under severe imbalance. The results confirm that classification becomes more difficult as data complexity increases and the minority class size decreases. While traditional classifiers deteriorate under extreme imbalance, advanced models like TabPFN and boosting-based ensembles retain relatively higher performance and better generalization compared to traditional classifiers. Visual interpretability and evaluation metrics further validate these findings. Our work offers valuable guidance on model selection for imbalanced learning, providing insights into classifier robustness without dependence on explicit rebalancing techniques.

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08.

arXiv (CS.CV) 2026-06-19 DOI: arXiv:2508.15228

Collaborative Multi-Modal Coding for High-Quality 3D Generation

作者:

Ziang Cao↗Zhaoxi Chen↗Liang Pan↗Ziwei Liu↗

3D content inherently encompasses multi-modal characteristics and can be projected into different modalities (e.g., RGB images, RGBD, and point clouds). Each modality exhibits distinct advantages in 3D asset modeling: RGB images contain vivid 3D textures, whereas point clouds define fine-grained 3D geometries. However, most existing 3D-native generative architectures either operate predominantly within single-modality paradigms-thus overlooking the complementary benefits of multi-modality data-or restrict themselves to 3D structures, thereby limiting the scope of available training datasets. To holistically harness multi-modalities for 3D modeling, we present TriMM, the first feed-forward 3D-native generative model that learns from basic multi-modalities (e.g., RGB, RGBD, and point cloud). Specifically, 1) TriMM first introduces collaborative multi-modal coding, which integrates modality-specific features while preserving their unique representational strengths. 2) Furthermore, auxiliary 2D and 3D supervision are introduced to raise the robustness and performance of multi-modal coding. 3) Based on the embedded multi-modal code, TriMM employs a triplane latent diffusion model to generate 3D assets of superior quality, enhancing both the texture and the geometric detail. Extensive experiments on multiple well-known datasets demonstrate that TriMM, by effectively leveraging multi-modality, achieves competitive performance with models trained on large-scale datasets, despite utilizing a small amount of training data. Furthermore, we conduct additional experiments on recent RGB-D datasets, verifying the feasibility of incorporating other multi-modal datasets into 3D generation.

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09.

arXiv (quant-ph) 2026-06-15 DOI: arXiv:2606.04470

Multi-entropy in random tensor networks

作者:

Miao Hu↗Simon Lin↗Ion Nechita↗

arXiv:2606.04470v2 Announce Type: replace-cross Abstract: We study the evaluation of Rényi multi-entropies $S^{(q)}_n$ in Random Tensor Network (RTN) states in the large bond-dimension limit. For the case of Rényi index $n=2$ and arbitrary number of parties $q$, we prove that that multi-entropies are determined by minimal multiway cuts through the network. When the minimal multiway cut is degenerate, we characterize the full minimizer set via compatible families of minimal cuts and give a criterion for all minimizers to come from ordinary cut partitions. For $n=2$, this gives a natural generalization of the minimal cut description of bipartite entanglement to multipartite systems with arbitrarily many parties. For the case of integer $n>2$, we show that the minimal multiway cut conjecture is in general not true by providing explicit counter examples for both the single random tensor and for the network built from isometric tilings. We discuss the implication for our results on the multipartite entanglement structures in RTN and holography.

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10.

medRxiv (Medicine) 2026-06-17 DOI: HASH:568264cbe9466b752a9aeeb4aff35e94

Method comparisons for differentiation of Schizophrenia and Bipolar based on rs-fMRI Intrinsic and Functional Networks

作者:

Janeva↗Breyton↗Markovska-Simoska↗Guilhaumou↗Petkoski↗Iraji↗Calhoun↗Gerazov↗

Psychosis as a symptom manifests in schizophenia and bipolar disorder, two highly heterogeneous psychiatric illnesses with overlapping clinical manifestations. Resting-state functional Magnetic Resonance Imaging (rsfMRI), represents a promising tool for identifying objective biomarkers of functional brain alterations to aid differential diagnosis. In this work, we comparatively evaluate multiple rs-fMRI representations for differentiating schizophrenia and bipolar disorder using intrinsic connectivity network (ICN) temporal profiles and several functional network connectivity (FNC) approaches, including static, dynamic, and high-order connectivity analyses. The study was conducted on a cohort of 371 subjects with psychosis, while evaluation was performed using a separate held-out cohort of 315 subjects. We investigated convolutional neural network architectures applied to ICN temporal profiles, spectrograms, and scalograms, alongside classical machine learning models trained on connectivity-derived features. Across the evaluated approaches, ICN temporal profiles provided the most consistent discriminative performance, with a 1D convolutional neural network achieving the strongest overall results under the benchmark protocol. Among connectivity-based methods, static functional connectivity generally outperformed dynamic and high-order representations, suggesting that increased representational complexity did not necessarily translate into improved generalization. Although the obtained classification performance remained modest, the results highlight the challenges of robust psychosis differentiation using rs-fMRI while emphasizing the relative stability of low-order connectivity representations and temporal ICN features. These findings contribute to ongoing efforts toward reproducible and interpretable neuroimaging biomarkers for psychiatric disorders.

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11.

arXiv (CS.LG) 2026-06-15 DOI: arXiv:2606.13941

Binary Black Hole Parameter Estimation with Hybrid CNN-Transformer Neural Networks

作者:

Panagiotis N. Sakellariou↗Spiros V. Georgakopoulos↗Sotiris Tasoulis↗Vassilis P. Plagianakos↗

arXiv:2606.13941v1 Announce Type: cross Abstract: The detection of gravitational waves has revolutionized our ability to explore fundamental aspects of the Universe. Traditionally, modeled gravitational-wave signals have been identified using template-based matched filtering, followed by coincidence analysis across multiple detectors in the signal-to-noise ratio time series. Recent advances in Machine Learning and Deep Learning have sparked growing interest in their application to both signal detection and parameter estimation. In this study, a hybrid Deep Learning strategy is proposed that leverages the effectiveness of Transformer encoders alongside well-established Convolutional Neural Network architectures in an attempt to estimate the intrinsic and extrinsic parameters of non-precessing binary black hole systems. The primary focus of this work is point estimation, producing single best-fit values for each parameter rather than full posterior distributions. This method is evaluated on both simulated signals embedded in Gaussian noise and real gravitational-wave events, and it demonstrates strong predictive performance and robustness across key astrophysical parameters.

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12.

arXiv (CS.LG) 2026-06-11 DOI: arXiv:2606.11192

Restless bandits with imperfect binary feedback: PCL-indexability analysis and computation

作者:

Jos\'e Ni\~no-Mora↗

arXiv:2606.11192v1 Announce Type: new Abstract: We study restless bandits with binary latent states and imperfect binary feedback, motivated by opportunistic spectrum access with sensing errors. For the associated belief-state model, we develop a partial conservation laws (PCL)-based analytical and computational framework for establishing indexability and evaluating the Whittle index, building on a verification theorem for real-state discounted restless bandits. The framework analyzes the stochastic dynamics via an associated deterministic skeleton, renewal decompositions, and combinatorics on words. It yields tractable expressions for discounted reward and resource metrics in several threshold regimes, enabling full verification of the PCL-indexability conditions there. For the remaining regime, where a complete analytic verification is not achieved in this paper, we derive efficient numerical schemes for computing the relevant marginal metrics and the marginal productivity (MP) index, which equals the Whittle index when those conditions hold. Extensive computational experiments provide strong evidence that these conditions also hold in that regime across broad parameter ranges and without the stringent parameter restrictions imposed in prior work. The experiments further show that theMP index policy typically outperforms standard benchmark policies, often by a substantial margin.

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13.

arXiv (quant-ph) 2026-06-12 DOI: arXiv:2503.12749

Matrix phase-space representations for gaussian boson sampling

作者:

Peter D. Drummond↗Alexander S. Dellios↗Margaret D. Reid↗

arXiv:2503.12749v2 Announce Type: replace Abstract: We introduce coherent matrix phase-space distributions. These use conservation laws and symmetries to improve the accuracy and speed of quantum phase-space representations. As an example, this is applied to validation of low-loss Gaussian boson sampling (GBS) quantum computational advantage experiments, where classical generation of the random photon-number counts is exponentially hard. Large improvements in sampling errors are demonstrated compared to previous methods. Matrix phase-space representations also provide a large numerical speed-up, due to their (at worst) quadratic scaling, compared to other methods for validating total count probabilities of large-scale, low-loss GBS networks.

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14.

arXiv (math.PR) 2026-06-17 DOI: arXiv:2410.17706

Optimal Impulse Control for Cyber Risk Management

作者:

Caroline Hillairet↗Thibaut Mastrolia↗Wissal Sabbagh↗

arXiv:2410.17706v2 Announce Type: replace-cross Abstract: We explore an optimal impulse control problem wherein an electronic device owner strategically calibrates protection levels against cyber attacks. Utilizing epidemiological compartment models, we qualitatively characterize the dynamics of cyber attacks within the network. We determine the optimal protective measures against effective hacking by formulating and solving a stochastic control problem with optimal switching. We demonstrate that the value function for the cluster owner constitutes a viscosity solution to a system of coupled variational inequalities associated with a fully coupled reflected backward stochastic differential equation (BSDE). Furthermore, we devise a comprehensive algorithm alongside a verification procedure to ascertain the optimal timing for network protection across various cyber attack scenarios. Our findings are illustrated through numerical approximations employing deep Galerkin methods for partial differential equations (PDEs). We visualize the optimal protection strategies in the context of two distinct attack scenarios: (1) a constant cyber attack, (2) an exogenous cyber attack strategy modeled with a Poisson process.

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15.

arXiv (CS.LG) 2026-06-15 DOI: arXiv:2606.14215

LapidaryEngine: Fully Conversational Crystal Generation

作者:

Yusei Ito↗Yuta Suzuki↗Tomoya Murata↗Masaki Adachi↗

arXiv:2606.14215v1 Announce Type: new Abstract: The emergence of Large Language Models (LLMs) has inspired the vision of generating bespoke crystal materials directly from natural-language instructions, enabling users to design materials through intuitive, conversational interaction. Existing text-to-crystal generative models represent important early steps toward this goal, but they suffer from two critical limitations: (i) restricted input formats that require highly structured descriptions (e.g., chemical formulas), and (ii) one-directional generation, where models can map text to crystal but cannot perform the inverse. These limitations prevent fully conversational workflows and hinder alignment with users' inherently ambiguous and evolving desiderata. We address these challenges with LapidaryEngine, the first model to support fully conversational crystal generation. LapidaryEngine accepts free-form natural-language requests and performs iterative refinement and editing in a dialogue-like manner. The key innovation is a pivot representation, a third, intermediate form that enables bidirectional translation between text and crystal structures despite the absence of direct paired datasets. Leveraging this pivot allows robust interpretation of user feedback and precise structural control. We demonstrate LapidaryEngine across diverse tasks, including insulator discovery, stability optimization, compositional modification, and structural editing, showcasing its ability to align generated materials with user intent in an interactive manner.

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16.

bioRxiv (Bioinfo) 2026-06-18 DOI: HASH:8a4bd15b1bb88e911e6456a6dbab05a5

Calculation of sequence space coverage in a mutagenesis library

作者:

Florez Prada↗Uguzzoni↗Hart↗D. J↗

Directed evolution requires screening of large mutagenesis libraries, but accurate calculation of library sizes needed to discover functional variants remains challenging. Existing models provide baseline estimates, yet current computational approaches for finding the best variants scale poorly with library complexity. Here, we introduce a scalable algorithmic framework to compute exact discovery probabilities in saturation mutagenesis libraries with no requirement for explicit sequence enumeration. By aggregating variants into a composition log–sum distribution and applying log-space convolution across randomisation blocks, it is possible to extend this to massive sequence spaces and mixed codon schemes. By inverting these calculations, absolute mathematical ceilings for experimental design are established. Ultimately, this framework provides a rapid, quantitative tool to balance the statistical coverage-diversity trade-off within the limitations of laboratory screening. Finally, this is implemented as an open-source web application (SSCC) that allows researchers to construct heterogeneous library designs and compute required sampling depths, coverage probabilities, and absolute randomisation limits.

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17.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2605.03573

Stochastic Schrödinger Diffusion Models for Pure-State Ensemble Generation

作者:

Jian Xu↗Wei Chen↗Shigui Li↗Chao Li↗Jingyuan Zheng↗Delu Zeng↗John Paisley↗Qibin Zhao↗

arXiv:2605.03573v3 Announce Type: replace-cross Abstract: Quantum machine learning increasingly relies on pure-state representations, motivating generative models that sample directly in quantum representation space rather than perturbing classical inputs and re-encoding. We introduce Stochastic Schrödinger Diffusion Models (SSDMs), a score-based generative framework that defines diffusion, scores, and reverse-time sampling intrinsically on the complex projective manifold $\mathbb{CP}^{d-1}$ under the Fubini–Study metric. SSDMs combine a Riemannian Ornstein–Uhlenbeck forward diffusion with a stochastic Schrödinger realization, and learn reverse-time dynamics driven by the Riemannian score. Our central technical contribution is a local-time learning objective that exploits the local Euclidean OU limit of intrinsic manifold diffusions in Fubini-Study normal coordinates to obtain an analytic teacher score, bypassing the intractable transition densities that limit existing Riemannian score-based models. Across synthetic, physics-inspired (TFIM, XXZ), and quantum feature-state benchmarks up to $14$ qubits, SSDMs match target pure-state ensembles by orders of magnitude on MMD and observable statistics over both ambient Euclidean and matched Riemannian score-based baselines, and improve representation-level diagnostics for downstream quantum kernel methods.

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18.

arXiv (CS.LG) 2026-06-11 DOI: arXiv:2606.12364

On Subquadratic Architectures: From Applications to Principles

作者:

Anamaria-Roberta Hartl↗Levente Z\'olyomi↗David Stap↗Pieter-Jan Hoedt↗Niklas Schmidinger↗Lukas Hauzenberger↗Sebastian B\"ock↗G\"unter Klambauer↗Sepp Hochreiter↗

arXiv:2606.12364v1 Announce Type: new Abstract: Transformers dominate modern sequence modeling, but their quadratic attention incurs substantial computational cost. Subquadratic architectures offer a scalable alternative. However, it remains unclear which designs yield the most effective sequence models. We compare three leading approaches: xLSTM, Mamba-2, and Gated DeltaNet. We evaluate these models on tasks with complex dependencies: (1) code-model pre-training, (2) distillation of code models from large language models, and (3) pre-training of time-series foundation models. Across these settings, xLSTM delivers the strongest overall performance. To explain xLSTM's advantage, we present a unified formulation and analyze the underlying architectural mechanisms, focusing on state tracking and memory dynamics. Our results show that xLSTM enables more flexible and stable memory correction via its gating scheme. We corroborate these findings on controlled synthetic length-generalization tasks. Overall, our findings indicate that xLSTM's gains on complex tasks stem from robust state tracking and accumulation.

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19.

arXiv (CS.AI) 2026-06-17 DOI: arXiv:2606.17668

ASTEROID: A Spatiotemporal Information Transformer for Forecasting Multi-Step Time Series of Molecular Dynamics

作者:

Kexin Wu↗Luonan Chen↗Renxiao Wang↗

arXiv:2606.17668v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulation is computationally demanding, particularly for large-scale systems requiring long-term analysis. Accurate forecast of the outcomes of a MD simulation is not only an attractive scientific challenge but also has substantial practical value. In this work, we developed a data-driven framework, termed ASTEROID (Advanced Spatiotemporal TransformER fOr Inferring Dynamics), that can directly predict multi-step atomic coordinates, avoiding conventional iterative integration. For this purpose, our ASTEROID reformulates MD trajectories as high-dimensional spatiotemporal sequences and integrates the Spatiotemporal Information (STI) Transformation equation into a Transformer architecture. The core innovation of ASTEROID lies in its ability to model multiscale spatiotemporal dependencies. In particular, for spatial dependencies, a local-global self-attention mechanism captures both short- and long-range interactions. For temporal dependencies, an encoder-decoder structure integrates global context with autoregressive forecasting. ASTEROID was evaluated on several quantum-mechanics derived molecular datasets. Our results indicate that ASTEROID achieved not only a higher level of accuracy in multi-step prediction than existing methods on various benchmarks, but also significantly reduced computational cost of conventional MD simulation. Moreover, the model supports iterative multi-step forecasting over an extended time scale. This work establishes a robust and generalizable data-driven paradigm for accelerating MD simulations.

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20.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2604.08552

Automated Standardization of Legacy Biomedical Metadata Using an Ontology-Constrained LLM Agent

作者:

Josef Hardi↗Martin J. O'Connor↗Marcos Martinez-Romero↗Jean G. Rosario↗Stephen A. Fisher↗Mark A. Musen↗

arXiv:2604.08552v2 Announce Type: replace-cross Abstract: Scientific metadata are often incomplete and noncompliant with community standards, limiting dataset findability, interoperability, and reuse. Even when standard metadata reporting guidelines exist, they typically lack machine-actionable representations. Producing FAIR datasets requires encoding metadata standards as machine-actionable templates with rich field specifications and precise value constraints. Recent work has shown that LLMs guided by field names and ontology constraints can improve metadata standardization, but these approaches treat constraints as static text prompts, relying on the model's training knowledge alone. We present an LLM-based metadata standardization system that queries standard reporting guidelines and authoritative biomedical terminology services in real time to retrieve canonically correct standards on demand. We evaluate this approach on 839 legacy metadata records from the Human BioMolecular Atlas Program (HuBMAP) using an expert-curated gold standard for exact-match assessment. Our evaluation shows that augmenting the LLM with real-time tool access consistently improves prediction accuracy over the LLM alone across both ontology-constrained and non-ontology-constrained fields, demonstrating a practical approach to automated standardization of biomedical metadata.

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21.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2606.01139

SkillRevise: Improving LLM-Authored Agent Skills via Trace-Conditioned Skill Revision

作者:

Yuxuan Liu↗Zhaochen Su↗Lingyun Xie↗Yuhao Zhang↗Qing Zong↗Jiahe Guo↗Zhongwei Xie↗Yiyan Ji↗Yauwai Yim↗Hongyu Luo↗Xiyu Ren↗Ruan Chenyu↗…

arXiv:2606.01139v3 Announce Type: replace Abstract: Agent skills are procedural artifacts that enable LLM agents to execute workflows, verify constraints, and recover from failures. Existing self-evolving methods refine skills using accumulated trajectories. However, they struggle in cold-start settings, where only an initial, imperfect skill is available. Consequently, skill construction defaults to expert authoring or one-shot LLM generation. Expert-authored skills are costly and may not align with how LLM agents actually execute tasks, while one-shot generated skills can be syntactically well formed yet behaviorally weak. To bridge this gap, we propose SkillRevise, an execution-grounded framework designed to iteratively refine these initial skills. SkillRevise diagnoses skill defects from execution evidence, retrieves relevant repair principles from a general memory, and applies execution-anchored edits. By re-executing candidates, it retains the first verifier-passing skill within the revision budget and falls back to empirical utility only when no candidate succeeds. Evaluated across three benchmarks and five LLMs, SkillRevise substantially outperforms one-shot baselines, improving the base agent's success rate on SkillsBench from 36.05% to 61.63%. Furthermore, the revised skills transfer across both executors and task environments, suggesting that SkillRevise captures reusable procedural knowledge beyond any single executor.

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22.

arXiv (CS.AI) 2026-06-11 DOI: arXiv:2507.17012

Sustainability assessment using multimodal AI agents

作者:

Zhihan Zhang↗Alexander Metzger↗Yuxuan Mei↗Felix H\"ahnlein↗Zachary Englhardt↗Tingyu Cheng↗Gregory D. Abowd↗Shwetak Patel↗Adriana Schulz↗Vikram Iyer↗

arXiv:2507.17012v2 Announce Type: replace Abstract: Reducing the rapidly growing environmental impact of the computing industry requires assessing the emissions of electronics at scale. However, a traditional life cycle assessment (LCA) of an electronic device, which maps materials and processes to environmental impacts, often requires proprietary or unavailable data. Here, we reimagine conventional sustainability assessment by introducing a multimodal multi-agent AI system that emulates the collaborative process between LCA professionals and stakeholders (such as product managers and engineers) to automatically estimate the carbon footprint of electronic devices. The agents iteratively construct a complete life-cycle inventory by leveraging a structured data abstraction and software tools that mine information from the public internet, including repair communities and government regulatory databases. This reduces data gaps and data collection from weeks or months of expert time to under one minute. The system can calculate carbon footprint within 19% of expert LCAs with zero proprietary data (typical of the variation between human LCAs). We also show that by encoding domain-specific knowledge, environmental impact estimation can be reframed as a data-driven prediction task, in which both unknown products and emission factors are represented as weighted combinations of similar ones with known emissions.

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23.

bioRxiv (Bioinfo) 2026-06-13 DOI: HASH:d46275f22e35a15de1be441b8af22ff6

Virus-human protein-protein interactions predict viral phenotypes

作者:

Zhang↗Feng↗Ge↗Meng↗Peng↗

Viral phenotypes such as host and tissue tropism are critical determinants of viral infection and transmission. Inferring viral phenotypes presents unique challenges compared to cellular organisms, as viruses rely entirely on host machinery for replication and survival. Current methods for predicting viral phenotypes mainly rely on viral genomic data, often overlooking host-related information. Here, we evaluated the utility of predicted virus-human protein-protein interactions (PPIs) in inferring diverse viral phenotypes using machine-learning algorithms. For predicting human infectivity, a PPI-based machine learning model outperformed both virus genomic and protein sequence-based models that used large language model embeddings. It also surpassed previous methods that incorporated both viral and host genomic data. The human proteins identified by the model were significantly enriched in functions related to viral infection and immune response. In predicting various phenotypes of human RNA viruses, PPI-based models performed better than virus sequence-based models in forecasting virulence, human transmissibility and transmission routes, while showing comparable performance to genomic sequence-based models in predicting tissue tropism. Finally, we demonstrated that a PPI-based model could distinguish high-risk HPV genotypes from low-risk ones. Proteins associated with high-risk HPV were involved in apoptosis and immune regulation, whereas those linked to low-risk HPV were enriched in telomere maintenance and DNA repair. Collectively, this study is the first to demonstrate the value of predicted virus-human PPIs in inferring viral phenotypes, thereby enhancing our understanding of the molecular mechanisms underlying these phenotypes. It also provides effective tools for risk assessment of emerging viruses, contributing to improved pandemic preparedness.

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24.

arXiv (CS.CV) 2026-06-17 DOI: arXiv:2606.18115

HLS-GPT: A Generative Pretrained Transformer (GPT) for Continental-Scale NASA Harmonized Landsat and Sentinel-2 (HLS) Reflectance Reconstruction Across All Bands on Arbitrary Dates

作者:

Junjie Li↗Hankui K. Zhang↗David P. Roy↗

Recent deep learning methods for Landsat and Sentinel-2 reflectance time series reconstruction remain limited by restricted spectral coverage, limited geographic scalability, or patch-based designs with short temporal contexts. We present HLS-GPT, a large-scale generative pretrained Transformer model for reconstructing NASA Harmonized Landsat Sentinel-2 30 m surface reflectance for all bands, any date, and any pixel location. HLS-GPT uses a hierarchical Transformer architecture to handle the different spectral band configurations of Landsat and Sentinel-2 and operates on single-pixel 12-month time series. To capture geographic and seasonal variability, the model was trained with nine years of HLS time series from more than 0.25 million training pixels across the conterminous United States. A random cropping and masking strategy extracts 12-month periods with varying start dates across epochs, masks 50% of valid observations, and trains the model to reconstruct the masked reflectance values from the remaining observations. Evaluation using more than 62,000 independent test pixels shows robust reconstruction under diverse land surface conditions, including complex crop phenology and sparse, irregular observations. Leave-one-observation-out evaluation achieved reconstruction RMSE below 0.026 for all HLS spectral bands, with relative RMSE below 35% for visible bands and below 13% for other bands. Red-edge band errors were comparable to red and near-infrared errors despite the absence of red-edge bands on Landsat. Sensitivity analyses that randomly masked 10% to 90% of test observations showed only modest degradation when 10% to 50% of observations were masked, with all-band RMSE below 0.028. Image reconstruction over nine independent 109 by 109 km CONUS HLS tiles further demonstrates that HLS-GPT outperforms two conventional methods and the NASA-IBM Prithvi model.

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25.

arXiv (quant-ph) 2026-06-15 DOI: arXiv:2601.06468

Emission of time-ordered photon pairs from a coherently-driven Kerr microcavity

作者:

Ferdinand Claude↗Yueguang Zhou↗Sylvain Ravets↗Jacqueline Bloch↗Martina Morassi↗Aristide Lema\^itre↗Alberto Bramati↗Anna Minguzzi↗Iacopo Carusotto↗Ir\'en\'ee Fr\'erot↗Maxime Richard↗

arXiv:2601.06468v2 Announce Type: replace-cross Abstract: Weakly-interacting many-body systems possess remarkable quantum properties that are essential components of quantum technologies, and constitute a topic of fundamental interest. Here we show that in a solid-state nonlinear microcavity embedding discrete modes of exciton-dressed photons, we can isolate a single eigenmode of quantum fluctuations from the much brighter coherent fraction of the field. In this regime, we perform frequency- and time-resolved correlations measurements between photons on the red and blue side of the fluctuations spectrum. When the average number of fluctuation quanta is smaller than one, we observe the formation of large pairwise time-ordered correlations: red photon first and blue photon second. We show that this peculiar time-ordering correlation emerges spontaneously from the interplay between frequency-resolved detection, and the non-trivial internal quantum structure of the elementary fluctuations.

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