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01.
medRxiv (Medicine) 2026-06-18

Comparative Evaluation of Pretrained Large Language Models for Suicide Risk Prediction from Clinical Notes in U.S. Veterans

Background: Suicide remains a significant and potentially preventable cause of death among United States veterans. Predictive models based on structured electronic health record (EHR) data, including the U.S. Department of Veterans Affairs' Recovery Engagement and Coordination for Health-Veterans Enhanced Treatment (REACH-VET) program, aim to identify individuals at elevated risk for enhanced monitoring and follow-up. Increasing evidence suggests that unstructured clinical narratives contain additional psychosocial information that may enhance risk prediction when analyzed using natural language processing (NLP). However, optimal approaches for representing clinical text remain uncertain. Recent advances in large language models (LLMs) enable contextual text representations that capture complex semantic relationships beyond traditional lexical methods. Methods: We compared the predictive performance of pretrained LLMs with classical bag-of-words (BoW) representations for suicide risk prediction using clinical notes from 27,241 veterans receiving care in the Veterans Health Administration. Patients were stratified by REACH-VET risk tier (low, moderate, high), and models were evaluated across prediction windows defined by note look-back periods (

02.
arXiv (CS.LG) 2026-06-25

Robust Linear Predictions: Analyses of Uniform Concentration, Fast Rates and Model Misspecification

arXiv:2201.01973v3 Announce Type: replace-cross Abstract: The problem of linear predictions has been extensively studied for the past century under pretty generalized frameworks. Recent advances in the robust statistics literature allow us to analyze robust versions of classical linear models through the prism of Median of Means (MoM). Combining these approaches in a piecemeal way might lead to ad-hoc procedures, and the restricted theoretical conclusions that underpin each individual contribution may no longer be valid. To meet these challenges coherently, in this study, we offer a unified robust framework that includes a broad variety of linear prediction problems on a Hilbert space, coupled with a generic class of loss functions. Notably, we do not require any assumptions on the distribution of the outlying data points ($\mathcal{O}$) nor the compactness of the support of the inlying ones ($\mathcal{I}$). Under mild conditions on the dual norm, we show that for misspecification level $\epsilon$, these estimators achieve an error rate of $O(\max\left\{|\mathcal{O}|^{1/2}n^{-1/2}, |\mathcal{I}|^{1/2}n^{-1} \right\}+\epsilon)$, matching the best-known rates in literature. This rate is slightly slower than the classical rates of $O(n^{-1/2})$, indicating that we need to pay a price in terms of error rates to obtain robust estimates. Additionally, we show that this rate can be improved to achieve so-called "fast rates" under additional assumptions.

03.
arXiv (quant-ph) 2026-06-11

PHASE: Pauli Hierarchical Assembly on Subdivided Elements for Quantum-Compatible Operator Synthesis

arXiv:2606.11478v1 Announce Type: new Abstract: Efficiently decomposing finite element stiffness matrices into the Pauli basis is challenging due to the exponential growth of Pauli strings with problem size. A naive Pauli expansion requires $\Theta(8^{\lceil \log_2 N \rceil})$ operations, where $N$ denotes the number of degrees of freedom, rendering direct decomposition infeasible for large systems. Existing approaches exploit algebraic sparsity or operator structure but do not incorporate the geometric organization intrinsic to finite element discretizations, and consequently exhibit poor scaling for stiffness matrices. To address this problem, we introduce PHASE, a hierarchical, geometry-aware Pauli decomposition algorithm that leverages recursive mesh partitioning to organize element contributions across multiple spatial scales. PHASE employs a hybrid strategy that combines full- and reduced-space Tensorized Pauli Decomposition with Fast Walsh-Hadamard Transform-based aggregation to assemble global Pauli coefficients efficiently. We show that this approach yields a dimension-dependent reduction in the exponential scaling exponent of Pauli assembly asymptotic complexity relative to existing methods, reducing the cost from $2^{2{\lceil \log_2 N \rceil}}$ to $2^{\gamma_d{\lceil \log_2 N \rceil}}$ with $\gamma_d < 2$ under standard mesh regularity and balanced partition assumptions. These results substantially improve the feasibility of quantum-compatible operator synthesis for large-scale finite element models.

04.
arXiv (CS.AI) 2026-06-25

Lightweight PCGAE-Net: Parallel CrossGate Attention and Bottleneck AutoEncoder for Efficient 5G Channel Prediction

arXiv:2606.25401v1 Announce Type: cross Abstract: Accurate channel state information (CSI) prediction is essential for proactive beamforming and resource management in 5G massive MIMO systems, yet the deployment of high-accuracy transformer-based predictors on base-station hardware remains challenging because the most capable models carry upwards of 30\,M parameters. This paper introduces Lightweight PCGAE-Net, which addresses the efficiency problem not by post-hoc compression but by correcting two architectural flaws in the current state of the art. The first is a sequential attention ordering bias: in CS3T-UNet, group-wise temporal attention (GTA) always operates on features that have already been transformed by cross-shaped spatial attention (CSA), distorting what temporal information GTA can capture. We remove this dependency by routing both attention modules to the same layer-normalized input and combining their independent outputs through a learned per-channel sigmoid CrossGate. The second flaw is an uncompressed bottleneck: applying full self-attention at the deepest encoder stage, where channel depth reaches $4C$, is quadratically expensive and carries redundant features. A Bottleneck AutoEncoder (BAE) with $1\times1$ convolutions halves this depth and uses an auxiliary reconstruction loss to prevent information collapse. Wrapping these components inside a shallower encoder-decoder with frequency-domain dimensionality reduction ($N_f\!=\!32$, $C\!=\!48$) produces a model with just 8.54\,M parameters – 58\% fewer than the CS3T-UNet baseline – that outperforms it by up to 3.26\,dB at 5\,km/h and 6.0\,dB at 9\,km/h in single-step prediction on QuaDriGa dataset.

05.
arXiv (CS.CL) 2026-06-16

Uncertainty Is Not a Safety Net for Clinical VQA, but Can It Anticipate Model Failure?

Safe deployment of clinical vision-language models (VLMs) requires reliable uncertainty estimation (UE): a signal indicating when predictions should be trusted or escalated to a clinician. We test whether current UE methods actually deliver this signal. Benchmarking 8 methods across 12 VLMs on clinical visual question-answering (VQA), we find that UE quality is not an intrinsic property of the UE method: it tracks model accuracy, degrading precisely where the model performance is weakest, and therefore where reliability is most needed. When we stress-test models by hiding the correct option among the multiple-choice answers (NOTA perturbations), accuracy collapses while uncertainty barely changes, leaving models systematically miscalibrated. Yet, we find that uncertainty on the unperturbed input reliably anticipates which predictions will collapse under NOTA, indicating that UE in current VLMs carries diagnostic information about model fragility. Our results position UE as a diagnostic tool for identifying fragile predictions and motivate perturbation-based evaluation as a path toward safe clinical deployment.

06.
arXiv (CS.CL) 2026-06-25

Membox: Weaving Topic Continuity into Long-Range Memory for LLM Agents

Long-term human-agent dialogues are organized by topic continuity: adjacent turns often develop the same goal, plan, problem, or event, while related activities may recur across distant sessions. Yet many LLM agent memory systems first decompose histories into isolated turns or fixed-size chunks, then compensate through enrichment, consolidation, or retrieval mechanisms still tied to semantic proximity or fragment-level records. This weakens temporal and causal organization and biases memory access toward semantic proximity rather than task- or topic-level continuity. We introduce Membox, a hierarchical memory architecture that instantiates topic continuity as an explicit organization layer for agent memory. Its Topic Loom incrementally organizes dialogue streams into boxes whose internal turns follow the same local topic, while its Trace Weaver links extracted events across boxes into macro-topic traces that recover recurring activities, goals, and factual developments across distant sessions. On LoCoMo, Topic-Loom-only retrieval improves over the best Mem0/A-MEM retrieval-depth setting by 13.00 F1 points (53.95 vs. 40.95), and trace-expanded retrieval further raises F1 to 55.28; with GPT-4o, trace-expanded retrieval reaches 59.71 F1. Additional DialSim results show the same gain from adding cross-box traces in multi-party dialogue. These results show that local topic-continuity organization and macro-topic trace expansion improve long-range memory beyond semantic retrieval over fragmented records.

07.
arXiv (CS.LG) 2026-06-19

Advances in Scientific Machine Learning for Coupled Fluid Flow and Transport

arXiv:2606.19562v1 Announce Type: new Abstract: This chapter reviews recent advances in Scientific Machine Learning (SciML) for modeling coupled fluid flow and transport phenomena governed by the incompressible Navier-Stokes and scalar transport equations. Such systems, found in applications like turbidity currents and thermal convection, feature strong nonlinear coupling and multiscale behavior that make high-fidelity simulations computationally expensive. To address this, the chapter surveys state-of-the-art SciML methods for building efficient surrogate models, including linear reduced-order techniques based on Singular Value Decomposition (such as Dynamic Mode Decomposition) and nonlinear neural network approaches like Physics-Informed Neural Networks (PINNs) and $\beta$-Variational Autoencoders ($\beta$-VAEs). It first covers the authors' work combining these models with High Performance Computing strategies, including Adaptive Mesh Refinement/Coarsening (AMR/C) and scientific floating-point data compression. It then presents two new contributions: surrogate modeling of turbidity currents via PINNs, and the extraction of disentangled nonlinear modes from thermal flows using $\beta$-VAEs. Governing equations and representative benchmarks, including lock-exchange flows and Rayleigh-Bénard convection, illustrate these methodologies. The chapter is intentionally long, covering both the mathematical and physical foundations of coupled fluid flow and the computational aspects of state-of-the-art modeling. Overall, it demonstrates how SciML enables fast, accurate approximations of complex coupled systems within the specific data regimes and modeling assumptions considered, while substantially reducing computational cost relative to full-order simulations. Broader capabilities such as real-time prediction and uncertainty quantification remain active research directions whose feasibility depends strongly on the problem at hand.

08.
arXiv (quant-ph) 2026-06-19

Phase locking nuclear spins in silicon with spin-orbit coupling

arXiv:2606.20340v1 Announce Type: new Abstract: Because they have such long coherence times, nuclear spins have extraordinary potential for use in quantum information processing devices. However, coherent nuclear spin control generally requires external phase references, such as microwave control fields. Here, we phase-lock a $^{29}$Si nuclear spin ensemble in a silicon quantum dot using only the internal electronic spin-orbit coupling as a phase reference. When driven with the quantum-dot electrons, the nuclear spins align themselves to a phase determined by the electronic spin-orbit coupling and the timing of the drive protocol. This enables us to measure the coherent precession and inhomogeneous dephasing of the nuclear spins. We corroborate our results with detailed numerical simulations of the many-body electron nuclear system. Our work opens new routes for coherently controlling solid-state nuclear spin ensembles.

09.
arXiv (CS.AI) 2026-06-12

An LLM System for Autonomous Variational Quantum Circuit Design

arXiv:2606.13380v1 Announce Type: cross Abstract: The design of high performing quantum circuits remains largely dependent on human expertise. We introduce an autonomous agentic framework that employs large language models (LLMs) to conduct iterative quantum circuit designs under explicit design constraints. Our system integrates seven components: Exploration, Generation, Discussion, Validation, Storage, Evaluation, and Review. These components form a closed-loop workflow that combines web-based knowledge acquisition, literature-grounded critique, executable code generation, and experimental feedback. We evaluate the framework on two tasks: quantum feature map construction for quantum machine learning and ansatz generation for variational quantum eigensolver applications in quantum chemistry. In image classification benchmarks, the best generated feature map outperforms representative quantum feature maps and, when scaled to larger qubit counts, surpasses the classical radial basis function kernel. In molecular ground state estimation across seven molecules, the generated ansatz attains competitive accuracy with widely used chemically inspired and hardware-efficient constructions while satisfying the imposed scaling constraints. These results establish LLM driven agentic system as a viable paradigm for automated quantum circuit design and illustrate how AI systems can participate in iterative scientific optimization workflows across scientific domains.

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

Are you speaking my languages? On spoken language adherence in multimodal LLMs

While Large Language Model (LLM) based Automatic Speech Recognition (ASR) enables seamless multilingual use, models often misidentify the output language, compromising transcription fidelity and downstream application quality. To preserve flexibility and code-switching capabilities, we propose a soft prompting approach that hints at potential spoken languages without strictly constraining the output. We formally define this challenge as a lack of language adherence, introduce a novel metric to quantify violations, and evaluate three mitigation strategies: (1) zero-shot prompting for robust guidance under uncertainty, (2) supervised fine-tuning (SFT) to improve prompt adherence, and (3) Chain-of-Thought (CoT) reasoning to enforce adherence during decoding. We present a comparative analysis of these methods across multiple languages, evaluating effectiveness in reducing the language violation while maintaining overall ASR performance. Finally, we discuss trade-offs to guide strategy selection under various compute constraints.

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

Attention by Synchronization in Coupled Oscillator Networks

arXiv:2606.12059v1 Announce Type: new Abstract: We address transformer attention on energy-constrained physical substrates. Softmax attention requires exponentiation and global reduction, operations with high energy cost on von Neumann hardware and no natural physical analog. We show that Kuramoto synchronization dynamics (which arise in electrical, mechanical, superconducting, and charge-density-wave oscillator arrays, among other physical systems) implement a well-defined attention operation without either. The resulting mechanism, fixed-query oscillator attention, replaces softmax's arithmetic with the equilibration of a gradient flow on the sphere: queries are learned anchors fixed on the sphere, and free oscillators evolve under Kuramoto-Lohe dynamics until they settle at positions encoding attention weights via cosine similarity. Because the computation is equilibration, it requires no exponentiation; the only global operation is an affine normalization at readout. The fixed point is provably unique and globally attractive from almost every initial condition, a guarantee that holds across every physical realization. Empirically, at the minimal hardware configuration (oscillator dimension $d_{\mathrm{osc}}$ = 2), oscillator attention outperforms softmax on keyword spotting (+1.00 pp) and on subject-verb agreement (+5.27 pp on hard sentences, with zero training failures versus one in five for softmax). On causal language modeling, where softmax retains an advantage, oscillator attention closes the gap as $d_{\mathrm{osc}}$ grows: from +11.09 PPL at $d_{\mathrm{osc}}$ = 2 to +2.98 PPL at $d_{\mathrm{osc}}$ = 32 on WikiText-2, and from +2.39 PPL at $d_{\mathrm{osc}}$ = 2 to +0.57 PPL at $d_{\mathrm{osc}}$ = 32 on TinyStories. The main objective of this work is not to replace softmax in software but to provide a mathematically grounded blueprint for accurate attention on physical substrates.

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

PhaseWin: An Efficient Search Algorithm for Faithful Visual Attribution

Visual attribution is a fundamental tool for interpreting modern vision and vision-language models, particularly when their decisions must be inspected, diagnosed, or audited. Its goal is to explain how a model's decision depends on local regions of the visual input, typically by assigning an importance ordering over candidate image regions. Given an image partitioned into $n$ regions, faithful attribution can be cast as an ordered subset-search problem, in which progressively inserting the selected regions should recover the target model response as early as possible. Exhaustive search over region subsets incurs exponential cost, while the widely used greedy search still requires a quadratic number of model evaluations, because every selection step rescores all remaining candidates. We propose PhaseWin, an efficient subset-search algorithm for faithful visual attribution. PhaseWin reorganizes greedy region selection into a phased window-search procedure: rather than re-evaluating the full candidate set at every step, it alternates between global candidate screening, adaptive pruning, and localized window refinement, while preserving the essential region-ranking behavior of greedy search. We analyze PhaseWin under monotone evidence-accumulation conditions and show that, under feature-level structural assumptions, it attains controllable linear evaluation complexity together with near-greedy faithfulness guarantees. Extensive experiments on image classification, object detection, visual grounding, and image captioning show that, among all compared attribution methods, PhaseWin reaches high faithfulness with the fewest forward passes, empirically realizing the predicted reduction from $O(n^2)$ to $O(n)$. The code is available at https://github.com/Qihuai27/phasewin-va.

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

HD-Prot: A Protein Language Model for Joint Sequence-Structure Modeling with Continuous Structure Tokens

arXiv:2512.15133v3 Announce Type: replace-cross Abstract: Proteins inherently possess a consistent sequence-structure duality. The abundance of protein sequence data, which can be readily represented as discrete tokens, has driven fruitful developments in protein language models (pLMs). A key remaining challenge, however, is how to effectively integrate continuous structural knowledge into pLMs. Current methods often discretize protein structures to accommodate the language modeling framework, which inevitably results in the loss of fine-grained information and limits the performance potential of multimodal pLMs. In this paper, we argue that such concerns can be circumvented: a sequence-based pLM can be extended to incorporate the structure modality through continuous tokens, i.e., high-fidelity protein structure latents that avoid vector quantization. Specifically, we propose a hybrid diffusion protein language model, HD-Prot, which embeds a continuous-valued diffusion head atop a discrete pLM, enabling seamless operation with both discrete and continuous tokens for joint sequence-structure modeling. It captures inter-token dependencies across modalities through a unified absorbing diffusion process, and estimates per-token distributions via categorical prediction for sequences and continuous diffusion for structures. Extensive results demonstrate that HD-Prot achieves competitive performance in unconditional sequence-structure co-generation, motif-scaffolding, protein structure prediction, and inverse folding tasks. Furthermore, our method can perform on par with state-of-the-art multimodal pLMs, despite being developed under limited computational resources (i.e., less than one-tenth the budget for modality extension fine-tuning). It highlights the viability of simultaneously estimating categorical and continuous distributions within a unified language model architecture, offering a promising alternative direction for multimodal pLMs.

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

Inclusive Interactive Collisions for Multi-View Consistent Compositional 3D Generation

arXiv:2606.24206v1 Announce Type: cross Abstract: Recent breakthroughs in 3D generation have advanced notably with the development of text-to-image diffusion model. However, existing methods remain two practical challenges: (1) They primarily generate single 3D object, but struggle to generate multi-object compositional 3D assets due to the lack of the modeling for Gaussian primitives in reasonable interactions. (2) They often suffer from cross-view inconsistency during 3D optimization, as Score Distillation Sampling inherently performs on each single view, inevitably resulting in cross-view hallucinations. To solve above issues, we propose I2C-3D, a novel optimization-based method to generate multi-view consistent compositional 3D assets with reasonable interactions. Specifically, we propose an Inclusive Interactive Collisions strategy to guide Gaussian primitives appearing in reasonable interaction regions naturally, thereby ensuring objects in the compositional scene interact in a physically plausible and visually coherent way. Additionally, to enhance multi-view consistency, Multi-View Adaptive Score Distillation Sampling is devised to distill multi-view consistency prior and layout prior from pre-trained diffusion model by modulating attention map of instance token and spatial token across viewpoints. Benefiting from above elaborate designs, I2C-3D not only generates high-fidelity multi-view consistent compositional 3D assets but also supports 3D editing flexibly, facilitating complex scene generation. Extensive experiments demonstrate our I2C-3D outperforms existing methods in generation quality and multi-view consistency.

15.
Nature (Science) 2026-06-10

Light slows down carbon nanotubes in water

Water-suspended carbon nanotubes move more slowly in green light, suggesting that excited electrons in the tubes couple to the water through ‘quantum friction’. Water-suspended carbon nanotubes move more slowly in green light, suggesting that excited electrons in the tubes couple to the water through ‘quantum friction’.

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

AI Adoption Across a Multinational Workforce: Sociotechnical Conditions for GenAI Acceptance in Human Resources

arXiv:2606.17887v1 Announce Type: cross Abstract: Generative AI (GenAI) deployment in the workplace is accelerating rapidly. Nevertheless, questions of who adopts, who benefits, and who is left behind and why are still understudied. In this paper, we investigate these dynamics in the context of a multinational tech company transitioning from a legacy Human Resources (HR) search system to a GenAI-supported system, analyzing search log data, survey data (n=25), and ten semi-structured interviews. Our findings show that adoption depended on the fit between the GenAI system's design assumptions and employees' work positionalities (role, spoken language, tenure). Further, we find that employees' trust in GenAI answers was built through source-checking, comparison among systems, and seeking input from colleagues or HR when in doubt. Our contribution is twofold. First, we provide empirical evidence of workplace GenAI adoption during a live organizational transition, showing that adoption is influenced by factors such as situational fit, search literacy, and trust calibration. It is also further shaped by knowledge conditions such as the system's content quality, employee training, and guidance. Second, we translate these findings into design considerations for inclusive deployment and adoption in high-stakes environments such as HR. We argue that organizations should design systems considering the role and context-sensitive benefits they yield to different social groups. They also need to treat the organizational knowledge infrastructure as AI infrastructure to improve the accountability and usability of GenAI systems

17.
arXiv (quant-ph) 2026-06-24

Phase-space microscopes for quantum gases: Imaging conjugate variables and momentum-weighted densities

arXiv:2603.29568v2 Announce Type: replace-cross Abstract: Quantum gas microscopes offer unprecedented insights into quantum many-body states of cold atomic gases. Here we introduce concrete protocols for extending quantum gas microscopes to measure in phase space, by mapping momentum onto auxiliary degrees of freedom and using positive operator-valued measures. We distinguish between two distinct operational modes. In the Husimi-Q phase space microscope, position and momentum are jointly measured; in this mode the fundamental quantum noise is distributed between position and momentum. Conversely, the averaged-mode phase space microscope extracts the spatial dependence of averages of the momentum density (and its moments); these averages can be retrieved with arbitrary spatial resolution. We illustrate the utility of these techniques in diverse physical settings.

18.
medRxiv (Medicine) 2026-06-10

Cortical activity during narrative discourse production in individuals with post-stroke aphasia and controls measured via functional near-infrared spectroscopy

Introduction: Aphasia is an acquired language disorder with a significant negative functional impact. Much of the research on aphasia has focused on word-level language comprehension and production. Further evaluation of discourse-level tasks, both at behavioral and neural levels, will allow for an ecologically valid understanding of the functional implications of language impairment in this population. Method: This study evaluated bilateral frontal, temporal, and parietal cortical activity during computer-based narrative production in 14 young neurotypical individuals, 17 individuals with post-stroke aphasia, and 15 age-matched neurotypical participants using functional near-infrared spectroscopy (fNIRS). Oxygenated hemoglobin (HbO) was measured during narrative production following short video clips and compared to HbO during counting aloud. In addition, behavioral measures quantifying in-task performance were correlated with averaged HbO values. Results: Young neurotypical individuals showed greater cortical activity in bilateral language regions for narrative production compared to counting aloud. In contrast, people with aphasia showed positive condition-related effects in the right frontal ROI and the age-matched group showed positive condition-related effects in the left frontal and right precentral ROIs. Each group showed different patterns in relationships between cortical activity and discourse performance measures. Conclusion: Overall, young participants showing more consistent condition-related effects for narrative discourse production than individuals with aphasia and age-matched controls. This study shows the potential for fNIRS to evaluate cortical activity for ecologically valid language tasks in individuals with post-stroke aphasia.

19.
arXiv (quant-ph) 2026-06-19

Strain- and Electric-Field-Tunable Valley Polarization in Mo0.75V0.25Te2(Mo3VTe8) for Valleytronic Application

arXiv:2606.19954v1 Announce Type: cross Abstract: Valley polarization in 2D TMDs is promising for low-power valleytronic and spin-valley information processing, but time-reversal symmetry in pristine nonmagnetic TMDs keeps the K+ and K- valleys degenerate, limiting device applications. In this work, we investigated the structural stability, electronic properties, and tunable valley polarization of V-alloyed MoTe2 monolayer, Mo0.75V0.25Te2, using first-principles density functional theory (DFT) calculations. Substitutional alloying of MoTe2 with V introduced magnetic exchange interaction, which, together with spin-orbit coupling (SOC), lifted the valley degeneracy at the unequal valleys. The alloyed structure was found to be energetically and dynamically stable due to the absence of imaginary phonon modes. In pristine MoTe2, SOC produced spin splittings of 34.0 meV and 218.9 meV in the conduction bands and valence bands, respectively, but no valley polarization was observed. In contrast, Mo0.75V0.25Te2 exhibited spontaneous valley polarization of 37.3 meV in the conduction band and 78.2 meV in the valence band. The valley polarization was further enhanced by external electric fields and biaxial strain. A transverse electric field along the crystal c axis produced the maximum valley splitting of 132.8 meV in the valence band, whereas biaxial tensile strain increased the valence band valley splitting up to 160.8 meV. The maximum conduction band valley splitting reached 54.4 meV under 2% biaxial compressive strain. These results demonstrated that V alloying, combined with electric-field and strain engineering, provides an effective strategy for achieving large and tunable valley polarization in MoTe2. Thus, Mo0.75V0.25Te2 can be considered a promising 2D platform for tunable valleytronic device applications, such as transistors and sensors.

20.
arXiv (CS.CL) 2026-06-16

GRACE-DS: a Guarded Reward-guided Agent Correction Environment in Data Science

We introduce GRACE-DS, a Guarded Reward-guided Agent Correction Environment in Data Science for pre-deployment evaluation of LLM-powered AutoML agents. GRACE-DS is a set of evaluation metrics in an isolated environment that can be applied to tabular ML tasks specific to a particular organization. It exposes agents to realistic workflow stages, from planning and data inspection through feature engineering, model development, validation, and code repair to final submission, while hidden executable validators measure not only final predictive performance but also leakage avoidance, reproducibility, protocol validity, correction behavior, and reward alignment. The strongest structured regime, flexible iterative interaction (our approach), achieves higher end-to-end normalized hidden-test quality than single-shot generation, unstructured interaction, and restart-based baselines, while also improving protocol-valid completion. Validated across more than 7,000 episodes, these results establish GRACE-DS as a robust platform for assessing the capacity of LLM-based AutoML agents to execute machine learning workflows under production-like conditions and in accordance with organization-specific requirements.

21.
arXiv (CS.LG) 2026-06-15

A Composite Activation Function for Learning Stable Binary Representations

arXiv:2605.11558v2 Announce Type: replace Abstract: Activation functions play a central role in neural networks by shaping internal representations. Recently, learning binary activation representations has attracted significant attention due to their advantages in computational and memory efficiency, as well as interpretability. However, training neural networks with Heaviside activations remains challenging, as their non-differentiability obstructs standard gradient-based optimization. In this paper, we propose Heavy Tailed Activation Function (HTAF), a smooth approximation to the Heaviside function that enables stable training with gradient-based optimization. We construct HTAF as a sigmoid hyperbolic tangent composite function and theoretically show that it maintains a large gradient mass around zero inputs while exhibiting slower gradient decay in the tail regions. We show that Spiking Neural Networks, Binary Neural Networks and Deep Heaviside neural Networks can be trained stably using HTAF with gradient-based optimization. Finally, we introduce Implicit Concept Bottleneck Models (ICBMs), an interpretable image model that leverages HTAF to induce discrete feature representations. Extensive experiments across various architectures and image datasets demonstrate that ICBM enables stable discretization while achieving prediction performance comparable to or better than standard models.

22.
arXiv (CS.AI) 2026-06-18

Benchmarking Action Spaces in Reinforcement Learning for Vision-based Robotic Manipulation

arXiv:2606.18594v1 Announce Type: cross Abstract: In real-world reinforcement learning (RL), the choice of action space can play a key role in shaping motion smoothness, safety, and overall task performance. In this study, we evaluate pose increment, pose velocity, joint position increment, and joint velocity across two vision-based manipulation tasks: object picking and pushing. We train policies in simulation and deploy them to the real world using sim-to-real transfer. We find that action-space representation indeed significantly affects sim-to-real performance. In particular, we find that the joint velocity action space is best for the vision-based picking and pushing tasks in terms of smoothness and final task performance. We also provide practical guidance for RL practitioners in choosing action spaces for both simulation and real-world experiments.

23.
arXiv (CS.AI) 2026-06-11

Vision-Language-Action Jump-Starting for Reinforcement Learning Robotic Agents

arXiv:2604.13733v2 Announce Type: replace-cross Abstract: Reinforcement learning (RL) enables high-frequency, closed-loop control for robotic manipulation, but scaling to long-horizon tasks with sparse or imperfect rewards remains difficult due to inefficient exploration and poor credit assignment. Vision-Language-Action (VLA) models leverage large-scale multimodal pretraining to provide generalist, task-level reasoning, but current limitations hinder their direct use in fast and precise manipulation. In this paper, we propose Vision-Language-Action Jump-Starting (VLAJS), a method that bridges sparse VLA guidance with on-policy RL to improve exploration and learning efficiency. VLAJS treats VLAs as transient sources of high-level action suggestions that bias early exploration and improve credit assignment, while preserving the high-frequency, state-based control of RL. Our approach augments Proximal Policy Optimization (PPO) with a directional action-consistency regularization that softly aligns the RL agent's actions with VLA guidance during early training, without enforcing strict imitation, requiring demonstrations, or relying on continuous teacher queries. VLA guidance is applied sparsely and annealed over time, allowing the agent to adapt online and ultimately surpass the guiding policy. We evaluate VLAJS on six challenging manipulation tasks: lifting, pick-and-place, peg reorientation, peg insertion, poking, and pushing in simulation, and validate a subset on a real Franka Panda robot. VLAJS consistently outperforms PPO and distillation-style baselines in sample efficiency, reducing required environment interactions by over 50% in several tasks. Real-world experiments demonstrate zero-shot sim-to-real transfer and robust execution under clutter, object variation, and external perturbations.

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

AgentLeak: A Benchmark for Internal-Channel Privacy Leakage in Multi-Agent LLM Systems

arXiv:2602.11510v3 Announce Type: replace Abstract: Multi-agent Large Language Model (LLM) systems create privacy risks that current output-only benchmarks cannot measure. When agents coordinate on tasks, sensitive data may pass through inter-agent messages, shared memory, and tool arguments, all pathways that final-output audits typically do not inspect. We introduce AgentLeak, a benchmark for evaluating internal-channel privacy leakage in multi-agent LLM systems. AgentLeak instruments seven privacy-relevant communication pathways and provides a large-scale empirical evaluation focused on final outputs, inter-agent messages, and shared memory. Across 1,000 scenarios spanning healthcare, finance, legal, and corporate domains, five production LLMs (GPT-4o, GPT-4o-mini, Claude 3.5 Sonnet, Mistral Large, and Llama 3.3 70B), and 4,979 validated execution traces, we find that multi-agent configurations reduce final-output leakage (C1: 27.2% vs 43.2% in single-agent mode) compared with single-agent baselines but introduce internal channels that raise total system exposure to 68.9% (aggregated across C1, C2, C5). Inter-agent messages (C2) leak at 68.8%, compared with 27.2% for final outputs (C1), meaning that output-only audits miss 41.7% of violations. Across all five models and four domains, the pattern C2 $\geq$ C1 holds consistently. These results suggest, within the evaluated coordinator-worker setting, that privacy risk in multi-agent systems is strongly shaped by architectural coordination channels rather than final-output behavior alone: it arises from internal channels that remain invisible to standard output-level defenses.

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

Scalar-pathway fidelity improves physical accuracy in short-range equivariant interatomic potentials

arXiv:2606.15892v1 Announce Type: new Abstract: Accurate interatomic potentials enable molecular dynamics of materials, molecules, and interfaces beyond density-functional-theory length and time scales. Equivariant neural network potentials have improved the representation of local geometry. However, their deployable energy surfaces ultimately manifest through invariant scalar channels, whose aggregation and spectral resolution remain comparatively underexamined. Here we use Physics-Aware Neighborhood (PAN) pooling and Physics-Guided Spectral (PGS) mixers as controlled scalar-pathway probes: lightweight, symmetry-preserving modifications that act only on \(\ell=0\) channels while leaving the equivariant tensor backbone unchanged. Using MACE as a high-body-order mechanistic scaffold, PAN adds coordination-sensitive amplitude modulation, whereas PGS augments edge and readout scalar features with radial and tapered spectral bases. Across metallic Ag, covalent Si, a short-range ionic LiF/Li–F subset, and MD17/rMD17 molecules, this scalar-pathway correction reduces MACE force errors by 22–27\% and energy errors by 19–22\%; on systems with stress labels, stress errors decrease by 27–28\%, at approximately 5\% additional inference-FLOPs cost. Directionally consistent gains in Allegro and NequIP further indicate that the correction is portable across distinct short-range equivariant backbones, although effect sizes remain architecture-dependent. These results identify scalar-pathway fidelity as a practical design dimension for short-range equivariant interatomic potentials.