论文广场 - AcademicHub

01.

arXiv (quant-ph) 2026-06-12 DOI: arXiv:2512.12266

Coulomb crystallization of xenon highly charged ions in a laser-cooled Ca+ matrix

作者:

arXiv:2512.12266v2 Announce Type: replace-cross Abstract: We report on the sympathetic cooling and Coulomb crystallization of xenon highly charged ions (HCIs) with laser-cooled Ca$^+$ ions. The HCIs are produced in a compact electron beam ion trap, then charge selected, decelerated, and finally injected into a cryogenic linear Paul trap. There, they are captured into $^{40}$Ca$^+$ Coulomb crystals, and co-crystallized within them, causing dark voids in their fluorescence images. Fine control over the number of trapped ions and HCIs allows us to realize mixed-species crystals with arbitrary ordering patterns. By investigating Xe$^{q+}$–Ca$^+$ strings, we confirm the HCI charge states, measure their lifetime and characterize the mixed-species motional modes. Our system effectively combines the established quantum control toolbox for Ca$^+$ with the rich set of atomic properties of Xe highly charged ions, providing a resourceful platform for optical frequency metrology, searches for signatures of new physics, and quantum information science.

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02.

arXiv (CS.LG) 2026-06-15 DOI: arXiv:2604.17402

On the Generalization Bounds of Symbolic Regression with Genetic Programming

作者:

Masahiro Nomura ↗Ryoki Hamano ↗Isao Ono ↗

arXiv:2604.17402v2 Announce Type: replace Abstract: Symbolic regression (SR) with genetic programming (GP) aims to discover interpretable mathematical expressions directly from data. Despite its strong empirical success, the theoretical understanding of why GP-based SR generalizes beyond the training data remains limited. In this work, we provide a learning-theoretic analysis of SR models represented as expression trees. We derive a generalization bound for GP-style SR under constraints on tree size, depth, and learnable constants. Our result decomposes the generalization gap into two interpretable components: a structure-selection term, reflecting the combinatorial complexity of choosing an expression-tree structure, and a constant-fitting term, capturing the complexity of optimizing numerical constants within a fixed structure. This decomposition provides a theoretical perspective on several widely used practices in GP, including parsimony pressure, depth limits, numerically stable operators, and interval arithmetic. In particular, our analysis shows how structural restrictions reduce hypothesis-class growth while stability mechanisms control the sensitivity of predictions to parameter perturbations. By linking these practical design choices to explicit complexity terms in the generalization bound, our work offers a principled explanation for commonly observed empirical behaviors in GP-based SR and contributes towards a more rigorous understanding of its generalization properties.

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03.

arXiv (CS.CL) 2026-06-17 DOI: arXiv:2606.17815

Beyond Native Success: Auditing Deployment-Interface Exposure of CLIP Backdoors

作者:

Kunlan Xiang ↗Haomiao Yang ↗Wenbo Jiang ↗

Contrastive Language-Image Pre-training models are widely reused across downstream interfaces, including feature extraction, retrieval, reranking, and selection. Existing CLIP backdoor, however, usually validate attacks on a small attack-native task, leaving unclear whether the same poisoned checkpoint remains exposed, weakens, or becomes not applicable when reused through other interfaces. We introduce DIFE, a Deployment-Interface Footprint Evaluation framework that audits backdoored CLIP checkpoints across deployment interfaces. DIFE makes various evaluations comparable by specifying each interface's component readout, trigger channel, target event, reference condition, and metric. DIFE also introduces effective-footprint diagnosis to identify the reusable CLIP component or component combination that carries exposure and explains where risk transfers. Auditing reproduced CLIP backdoors with DIFE reveals a structured landscape: native success is not a checkpoint-level risk certificate, exposure follows component footprints, text-side poisoning does not yield textual-encoder control, and some coupled attacks remain mechanism-bound. This audit reveals a import gapin existing CLIP backdoors: a textual encoder that itself becomes a reusable carrier of adversarial behavior. We therefore introduce BadTextTower to fill this gap. BadTextTower produces strong text-conditioned retrieval, reranking, and selection exposure while leaving visual-only reuse nearly clean.

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04.

arXiv (CS.LG) 2026-06-18 DOI: arXiv:2606.19069

Model-Free Reinforcement Learning Control for Resilient Cyber-Physical Systems

作者:

Hugo O. Garc\'es ↗Alejandro J. Rojas ↗Bernardo A. Hern\'andez ↗Andr\'es Escalona ↗Jonathan M. Palma ↗Md. Rezwan Parvez ↗Bhushan Gopaluni ↗Sirish L. Shah ↗

arXiv:2606.19069v1 Announce Type: cross Abstract: This paper compares the performance of model-free controllers on a nonlinear system under cyberattacks, including false data injection and denial-of-service attacks. Four RL reward types are analyzed for accuracy, cost, and resilience. Results show that the Lyapunov reward offers the best resilience with low tracking error. Exponential mode also provides good trade-offs with acceptable resilience under moderate training conditions. Progressive and linear rewards converge faster but are less robust. RL-MPCs show strong steady-state resilience but require longer training times; RL-PID controllers are faster with significantly less training time. Proximal Policy Optimization outperforms Deep Deterministic Policy Gradient with a significant reduction in KPI variance. This study serves to highlight how well-designed RL rewards can improve performance and resilience against cyber threats.

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05.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2606.14923

Trust Between AI Agents: Measuring Formation, Breakage, and Recovery, with Implications for Governing Multi-Agent Systems

作者:

Yujiao Chen ↗

arXiv:2606.14923v1 Announce Type: new Abstract: As language-model agents increasingly work in teams, each agent must decide how much to trust its teammates. Yet we lack a standard way to measure trust between AI agents. We propose a behavioral measure based on costly verification. In a cooperative survival game, checking a teammate's work consumes resources, while trusting a wrong answer can be fatal. Relative to a memoryless version of the same model, reduced verification provides an observable measure of trust. Using this framework, we study trust formation, breakage, and recovery across six frontier model snapshots. When paired with a consistently reliable teammate, four snapshots (Claude Opus 4.6, Claude Sonnet 4.6, GPT-5.1, and Gemini 3.1 Pro) reduce verification by roughly 60-85%, whereas two smaller snapshots show little or no such adjustment. Failures reverse this discount, but models differ in how they respond. Some concentrate renewed scrutiny on the culprit, while others become more cautious toward the entire team. Recovery is slower than formation, and clustered failures sustain suspicion far longer than the same number of failures spread apart. These differences have practical consequences. Models that form trust verify less, decide more quickly, and achieve higher payoffs in our environment. By contrast, persistent over-verification is associated with indecision rather than safety. Our results show that trust dispositions can be measured before deployment and suggest that calibration, rather than maximal suspicion, should be the central concern in the governance of multi-agent AI systems.

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06.

arXiv (CS.CV) 2026-06-15 DOI: arXiv:2606.14562

NEST3D: A High-Resolution Multimodal Dataset of Sociable Weaver Tree Nests

作者:

Constanza A. Molina Catricheo ↗Simon Boeder ↗Ting-Jia Guo ↗Giacomo May ↗Cl\'ement Berthelot ↗Devis Tuia ↗Friedrich Fedor Reinhard ↗Fabio Remondino ↗Benjamin Risse ↗

Sociable weaver nests function as complex ecological structures offering thermoregulatory microhabitats and sustaining diverse species; however, datasets used in prior studies lack fine-grained 3D structural detail. Producing usable and accurate 3D weaver nest data is challenging due to their irregular geometry and integration with complex host vegetation. We bridge this gap with an open-access, 1.4 TB multimodal drone dataset of 104 nest-bearing trees, comprising 27,945 RGB images, 111,780 multispectral images, approximately 781 million 3D points, and expert-annotated semantic segmentation labels. We benchmark semantic segmentation using KPConv, RandLA-Net, and Point Transformer V3, with PT-v3 achieving an mIoU of 86.35% on the test set. While the results demonstrate strong performance for transformer-based and point-wise methods, they also highlight architecture-dependent challenges, particularly for convolution-based approaches such as KPConv. By uniquely combining spectral, spatial, and structural information, the presented dataset advances 3D reconstruction, segmentation, and classification algorithms, enabling ecological applications from nest volume estimation to species conservation, and serves as a demanding benchmark that exposes architecture-dependent performance under extreme class imbalance.

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07.

arXiv (CS.AI) 2026-06-15 DOI: arXiv:2606.14582

A Temporal Planning Framework for Disruption Aware Dynamic Route Optimization in Heterogeneous Railway Systems

作者:

Pollob Chandra Ray ↗Sabah Binte Noor ↗Fazlul Hasan Siddiqui ↗

arXiv:2606.14582v1 Announce Type: new Abstract: Efficient route optimization play a vital role in ensuring both safety and punctuality in railway operations. It is very crucial particularly in heterogeneous multi-gauge railway networks with varying train speed, stopping pattern, infrastructure compatibility constraints increase coordination complexity. In single-track systems these challenges are further intensify due to all trains to share the same track and requires frequent track switching.Stochastic disruptions events including blocked tracks, blocked trains, engine failure and speed slowdowns introduces additional unpredictability in operations and deviate the timetable. However, existing studies predominantly focuses on high-level timetabling, omitting operational details such as track switching coordination. As a result leaving decision to human operators, increasing safety risks into railway operations. This study proposes a framework based on temporal planning for dynamic route optimization and disruption management in heterogeneous railway systems. The framework formulates railway operations as a temporal planning problem using PDDL 2.1 with explicitly modeling gauge compatibility constraints and diverse disruption scenarios. It generates conflict-free timestamped operational plans specifying both optimized schedules and executable action sequences. To evaluate the proposed framework, we developed a benchmark problem set with 200 instances using up to 1,000 track points and 120 trains. Two state-of-the-art temporal planners and a plan validator were employed to assessed the framework. The experimental results demonstrate that the framework effectively generates temporal operational plans for heterogeneous railway systems and handles multi-gauge constraints, disruptions, and reduces dependence on manual decision making.

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08.

arXiv (quant-ph) 2026-06-17 DOI: arXiv:2606.17095

Variational Quantum Eigensolver-Based Quantum Bootstrap Embedding for Molecules

作者:

Derek Peng ↗

arXiv:2606.17095v1 Announce Type: cross Abstract: Simulating strongly correlated molecular systems on near-term quantum hardware remains challenging due to modern hardware's limited quantum volume and moderate-fidelity qubits. One potential way to circumvent this challenge is through bootstrap embedding (BE). Bootstrap embedding breaks molecules into smaller fragments that are then embedded into the "bath" of other fragments in an iterative way. Bootstrap embedding is appealing for quantum simulation because fragmenting the system reduces the qubit requirements for any given fragment. In this work, we develop a quantum bootstrap embedding (QBE) workflow that uses variational quantum eigensolver (VQE) fragment solvers and study the algorithmic choices that determine the overall VQE-QBE algorithm's success. To improve efficiency, we introduce FastAdaptVQE, a sparse matrix-accelerated form of the adaptive variational quantum eigensolver (ADAPT-VQE) that replaces symbolic commutator evaluation with direct statevector linear algebra, and MatrixFreeAdaptVQE, a matrix-free extension that removes the sparse-matrix memory bottleneck that appears when treating larger fragments. We also modify the ADAPT-VQE operator selection step by replacing the purely greedy choice with a look-ahead strategy. Benchmarks on $H_4$ and $F_2$ reach chemical accuracy, within 1 kcal/mol of bootstrap embedding results using a full configuration interaction (FCI) solver. These results show that combining QBE with VQE can accurately calculate energies of molecular systems. This research lays the foundation for extending energy calculations to larger molecular systems and quantum materials on near-term quantum hardware.

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09.

arXiv (quant-ph) 2026-06-16 DOI: arXiv:2606.15744

Comparative Performance Analysis of NIST PQC Standards: From STM32 Software Limitations to FPGA-SoC Acceleration

作者:

Mustafa Akif Y{\i}ld{\i}r{\i}m ↗Osman Tokluoglu ↗

arXiv:2606.15744v1 Announce Type: new Abstract: The rapid advancement of quantum computing poses a significant threat to classical public-key cryptographic systems, necessitating the transition to Post-Quantum Cryptography (PQC). This study investigates the implementation challenges of NISTstandardized signature schemes on resource-constrained embedded hardware. We present a comparative analysis of SPHINCS+ and CRYSTALS-Dilithium on an ARM Cortex-M4 (STM32F407G) microcontroller. Our findings reveal that SPHINCS+ is practically unusable in this software-only environment, with impractical execution times. Furthermore, the reference Dilithium implementation failed to execute entirely on the MCU due to severe RAM and timing constraints. To overcome these hardware limitations, we integrated a hardware-accelerated Dilithium core onto a Xilinx Zynq-7000 ZedBoard SoC. By implementing a specialized Number Theoretic Transform (NTT) accelerator in the FPGA fabric, we achieved successful execution with performance rates for key generation and signature generation at millisecond levels. These results demonstrate that while pure software PQC is non-viable for standard microcontrollers, a hardware-software codesign approach provides the necessary efficiency for quantumresistant embedded systems.

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10.

arXiv (CS.AI) 2026-06-11 DOI: arXiv:2606.11463

LSTM-Based Detection of Structural Breaks in Property Insurance Loss Reserving: A Climate-Informed Approach

作者:

Thomas Mbrice ↗Shashwat Panigrahi ↗

arXiv:2606.11463v1 Announce Type: cross Abstract: Accurate loss reserving is foundational to insurer solvency, yet accelerating climate driven catastrophes systematically violate the stability assumptions on which traditional actuarial methods depend. This white paper presents a research program testing whether Long Short Term Memory (LSTM) neural networks can detect and adapt to these structural breaks faster and more accurately than Chain Ladder, Bornhuetter Ferguson, and Cape Cod methods. Using 15 plus years of regulatory development triangle data from Florida and Louisiana, enriched with NOAA hurricane intensity indices and sea surface temperatures, we hypothesize a targeted improvement of 15, 20% in reserve accuracy for catastrophe exposed years, a threshold grounded both in the prior neural network reserving literature and in the formal convergence results developed here. Beyond empirical validation, we develop a theoretical framework grounding LSTM structural break detection in probabilistic terms, providing formal performance guarantees that compensate for the limited number of catastrophe events in the test period. We document the research design, methodology, expected contributions, and a candid assessment of limitations.

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11.

arXiv (CS.LG) 2026-06-12 DOI: arXiv:2606.13543

NetCause: Counterfactual Learning for Root Cause Analysis in Large-Scale Networks

作者:

Fabien Chraim ↗Jian Zhang ↗Dominik Janzing ↗Xiang Song ↗Christos Faloutsos ↗John Evans ↗

arXiv:2606.13543v1 Announce Type: cross Abstract: Can a learned model capture how faults propagate through a large-scale network and use this knowledge to causally attribute customer impact to its underlying root cause? Existing root cause analysis techniques often rely on static rules, correlation heuristics, or topology-local reasoning, which struggle to generalize in dynamic environments where faults propagate across complex physical and logical dependencies. We present NetCause, a self-supervised learning-based framework that models network incidents as graph-temporal processes and uses counterfactual simulation to rank candidate root causes. This approach produces an interpretable ranking of root cause hypotheses and integrates naturally with operator-defined mitigation and remediation actions. We train the model on over 1,500 incidents collected over six months from a leading cloud provider's production network and evaluate it on 31 expert-labeled incidents. NetCause consistently improves root cause ranking quality in the regime most relevant to operational decision-making, achieving a 16.1% accuracy improvement over a rule-based heuristic baseline. While training is computationally intensive, inference is lightweight, requiring only seconds of GPU runtime per incident (well below typical telemetry collection latencies).

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12.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2606.14788

Unifying Acoustic Features and Text with Multimodal LLMs for Neurodegenerative Screening

作者:

Qingfeng Zhang ↗Yuanxiong Guo ↗Yanmin Gong ↗

arXiv:2606.14788v1 Announce Type: cross Abstract: Voice-based screening offers a scalable and non-invasive way to assess neurodegenerative diseases such as Alzheimer's disease (AD) and Parkinson's disease (PD), but their staging remains challenging due to the difficulty of integrating heterogeneous data. This paper presents NeurMLLM, an efficient multimodal generative framework for neurodegenerative disease staging. NeurMLLM first encodes the spectrograms and Mel-frequency cepstral coefficients of audio data with vision transformers and projects their representations into the embedding space of a large language model (LLM), where they are concatenated with transcript and demographic instruction tokens as a single unified sequence. The LLM is then instruction-tuned via Low-Rank Adaptation using task prompts to autoregressively predict a constrained label token, enabling a generative classification. By evaluating on the Bridge2AI-Voice dataset for fine-grained staging of AD and PD, we observe that NeurMLLM achieves strong performance, consistently outperforming classical machine learning methods and existing LLM-based approaches. The results show the high potential of multimodal LLMs in neurodegenerative disease staging, improving staging accuracy and supporting accessible deployment.

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13.

arXiv (CS.CL) 2026-06-12 DOI: arXiv:2606.12433

Marginal Alignment Does Not Guarantee Joint-Distribution Fidelity: An Official-Reference Audit of Nemotron-Personas-Korea with Cross-Locale Replication

作者:

Joonhyung Bae ↗

Synthetic persona datasets cite alignment with official demographics as a basis for trust, yet downstream users consume them as joint structures across age, sex, region, occupation, education, name, and institutional status. Marginal alignment does not imply that these joints are preserved. We propose the Independence-Assumption Footprint (IAF), an audit primitive that operates on the attribute combinations a dataset card itself documents as treated independently. For each such combination, IAF compares the synthetic joint against an external official or institutional reference, using direct joint tables where available and rule-implied checks otherwise. Applied to NVIDIA Nemotron-Personas-Korea (one million Korean synthetic personas), IAF finds that NPK aligns with KOSIS marginals while three joints fail. The major-by-occupation distribution against the KEIS graduate universe carries a large conditional mismatch. The age profile of military service is institutionally inconsistent. Female representation in male-dominated occupations is substantially over-flattened toward parity, with the strict screening verdict mapping-dependent and age-robust under direct standardisation. A transferability demonstration across six further NPK locales finds locale-dependent rather than universal diagnostics, with reference-taxonomy cardinality confounding cross-locale flag counts. For synthetic personas used as silicon samples, marginal claims must therefore be paired with disclosure-anchored joint audits before reuse. The released audit artefacts (reference manifests, occupational crosswalks, derived metrics, reproducibility scripts) instantiate this protocol on the NPK family and are released for retargeting at other synthetic persona resources.

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14.

arXiv (CS.CL) 2026-06-19 DOI: arXiv:2606.20152

From Texts to Scores: Tracing the Emergence of Essay Quality Representations in Large Language Models

作者:

Jiaxu Zuo ↗Mu You ↗Kaixin Lan ↗Tao Fang ↗Yujia Huo ↗Henghua Shen ↗Lidia S. Chao ↗Derek F. Wong ↗

Recent advances in Large Language Models (LLMs) have substantially transformed Automated Essay Scoring (AES), yet the internal mechanisms underlying LLM-based scoring remain poorly understood. In this work, we systematically analyze the hidden representations of eight LLMs across two English essay datasets (ASAP++, CSEE) and one Portuguese dataset (ENEM). Using linear probing, cross-prompt generalization, dimensionality reduction, and neuron-level analyses, we find consistent evidence that essay quality information is encoded in a linearly accessible form within LLM representations. These representations emerge progressively across layers, remain robust across prompting strategies, and partially transfer across essay prompts despite differences in scoring rubrics. In addition, nonlinear probes provide only marginal and inconsistent improvements over linear probes, suggesting that most essay quality information is already linearly decodable. We further identify individual ``essay scoring neurons'' whose activations strongly correlate with essay scores and whose behavior is sensitive to targeted intervention. Moreover, the layer-wise distribution of these neurons systematically shifts with essay length, with longer essays relying more heavily on deeper layers. Overall, our findings provide evidence that LLMs encode structured representations related to essay quality and offer new insights into the interpretability of LLM-based AES systems.

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15.

arXiv (quant-ph) 2026-06-15 DOI: arXiv:2511.19302

Quantitative and Optimal Device-Independent Lower Bounds on Detection Efficiency

作者:

Arkaprabha Ghosal ↗Soumyadip Patra ↗Peter Bierhorst ↗

arXiv:2511.19302v2 Announce Type: replace Abstract: This paper examines a quantitative and optimal lower bound on the detector efficiency in a (2,2,2) Bell experiment within a fully device-independent framework, whereby the detectors used in the experiment are uncharacterized. We provide a tight lower bound on the minimum efficiency required to observe a desired Bell-CHSH violation using the Navascués-Pironio-Acín (NPA) hierarchy, confirming tightness up to four decimal places with numerical optimization over explicit quantum realizations. We then introduce the effect of dark counts and demonstrate how to quantify the minimum required efficiency to observe a desired CHSH violation with an increasing dark count error. Finally, to obtain an analytical closed-form expression of the minimum efficiency, we consider the set of no-signaling behaviors that satisfy the Tsirelson bound, which are easier to characterize than the quantum set. Using such behaviors, we find a simple closed-form expression for a lower bound on the minimum efficiency which is monotonically increasing with the CHSH violation, though the analytically obtained lower bounds are meaningfully below the numerically tight lower bound.

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16.

arXiv (CS.AI) 2026-06-11 DOI: arXiv:2606.11672

Can Open-Source LLM Agents Replace Static Application Security Testing Tools? An Empirical Assessment

作者:

Derek Yohn ↗Luke Flancher ↗Mirajul Islam ↗Khaled Slhoub ↗

arXiv:2606.11672v1 Announce Type: cross Abstract: This paper explores the value of agentic AI tools for cybersecurity purposes. We evaluate the efficacy of a general-purpose GenAI Large Language Model- (GenAI-) based agent when powered by three different Ollama-hosted general-purpose open source models. We assess each agent's performance using precision, recall, false positive count, and a calculated composite score based upon the interplay of the captured metrics, against the baseline performance of an existing, vetted Static Application Security Testing (SAST) tool, Bandit. Our findings refute the notion that a modern open-source GenAI LLM-based agent is currently suitable for the specialized task of SAST scanning under realistic conditions.

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17.

arXiv (quant-ph) 2026-06-16 DOI: arXiv:2601.04304

Chiral Lattice Gauge Theories from Symmetry Disentanglers

作者:

Ryan Thorngren ↗John Preskill ↗Lukasz Fidkowski ↗

arXiv:2601.04304v2 Announce Type: replace-cross Abstract: We propose a Hamiltonian framework for constructing chiral gauge theories on the lattice based on symmetry disentanglers: constant-depth circuits of local unitaries that transform not-on-site symmetries into on-site ones. When chiral symmetry can be realized not-on-site and such a disentangler exists, the symmetry can be implemented in a strictly local Hamiltonian and gauged by standard lattice methods. Using lattice rotor models, we realize this idea in 1+1 and 3+1 spacetime dimensions for $U(1)$ symmetries with mixed 't Hooft anomalies, and show that symmetry disentanglers can be constructed when anomalies cancel. As an example, we present an exactly solvable Hamiltonian lattice model of the (1+1)-dimensional "3450" chiral gauge theory, and we argue that a related construction applies to the $U(1)$ hypercharge symmetry of the Standard Model fermions in 3+1 dimensions. Our results open a new route toward fully local, nonperturbative formulations of chiral gauge theories.

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18.

arXiv (CS.AI) 2026-06-17 DOI: arXiv:2606.17317

Transformer-Based Warm-Starting for Feasible and Optimal Terminal Approach to Tumbling Objects with Space Manipulators

作者:

Yuji Takubo ↗Maximilian Adang ↗Mac Schwager ↗Simone D'Amico ↗

arXiv:2606.17317v1 Announce Type: cross Abstract: Real-time trajectory generation for on-orbit robotic servicing is challenging due to the nonlinear coupling between spacecraft bus motion, manipulator dynamics, visibility cone, and trajectory-level safety constraints. This paper studies learning-based warm-starting for sequential convex programming (SCP) in the terminal approach of a space manipulator toward a tumbling target. The proposed framework decomposes the problem into a system center-of-mass translational planning stage and a coupled attitude–manipulator torque-allocation stage, and applies a causal transformer warm-start to the latter, which constitutes the dominant computational bottleneck. Linear and flow matching action decoders are compared under different action-chunking and training dataset sizes, and the resulting warm-starts are evaluated under both cost-optimal and feasibility projection using SCP. Across 300 held-out scenarios, the learned warm-start reduces the second-stage SCP iteration count by up to 28% and the runtime by 23% while preserving the final control-cost distribution. When the learned warm-starts are used for nonconvex feasibility projection, they nearly halve the runtime relative to cost-optimal SCP, while avoiding the catastrophic high-cost tail behavior observed when initialized heuristically. These results indicate that sequence-model warm-starts can improve both the computational efficiency and trajectory robustness of optimization-based terminal guidance for space manipulation.

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19.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2505.08774

Generative Molecular Design with Steerable and Granular Synthesizability Control

作者:

arXiv:2505.08774v2 Announce Type: replace-cross Abstract: Designing molecules that are both property-optimal and readily synthesizable is a central challenge in drug discovery. Existing works that do consider synthesizability can jointly output predicted synthesis routes for generated molecules. However, there has been minimal attention in addressing the ease of synthesis and with flexibility to incorporate desired reaction constraints. On the other hand, virtual screening searches for commercially available compounds, but imposes challenges when scaling to ultra-large (billion-size and beyond) chemical spaces. Here, we propose a generative design framework that unifies synthesis-constrained molecular design and ultra-large-scale virtual screening through steerable and granular synthesizability control. Generated molecules satisfy arbitrary multi-parameter optimization objectives with predicted synthesis routes satisfying mix-and-match constraints: including or avoiding certain reactions, incorporating specific building blocks, and minimizing synthesis route length. In an end-to-end in-house campaign targeting BRD4, we designed molecules synthesizable with specific selected reactions and building blocks, synthesized all six selected compounds, and identified two micromolar binders. We further demonstrate that reaction control enables efficient navigation of ultra-large make-on-demand chemical spaces to identify property-optimal candidates. By applying our framework to Chemspace's Freedom 4.0 make-on-demand space (142 billion molecules), we generated ~320k molecules (0.00023% of the library) on a single consumer-grade GPU (with only 8 GB GPU memory) and identified a micromolar Wee1 binder amongst 60 synthesized candidates. The single unified framework thus enables generating novel synthesizable molecules and retrieving catalogue-ready candidates, offering a flexible solution to mitigating the synthesizability bottleneck.

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20.

arXiv (CS.CV) 2026-06-16 DOI: arXiv:2509.18428

Latent Action Pretraining Through World Modeling

作者:

Bahey Tharwat ↗Yara Nasser ↗Ali Abouzeid ↗Ian Reid ↗

Vision-Language-Action (VLA) models have gained popularity for learning robotic manipulation tasks that follow language instructions. State-of-the-art VLAs, such as OpenVLA and $\pi_{0}$, were trained on large-scale, manually labeled action datasets collected through teleoperation. More recent approaches, including LAPA and villa-X, introduce latent action representations that enable unsupervised pretraining on unlabeled datasets by modeling abstract visual changes between frames. Although these methods have shown strong results, their large model sizes make deployment in real-world settings challenging. In this work, we propose LAWM, a model-agnostic framework to pretrain imitation learning models in a self-supervised way, by learning latent action representations from unlabeled video data through world modeling. These videos can be sourced from robot recordings or videos of humans performing actions with everyday objects. Our framework is able to transfer learned knowledge across tasks, environments, and embodiments. It outperforms models pretrained with ground-truth robot actions and other similar pretraining methods on the LIBERO benchmark and real-world setup, while being efficient and practical for real-world settings.

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21.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2606.20058

Autonomous Event-Driven Multi-Agent Orchestration for Enterprise AI at Scale

作者:

Harsh Rao Dhanyamraju ↗Leonidas Raghav ↗Aaron Lee ↗

arXiv:2606.20058v1 Announce Type: new Abstract: Enterprise AI aims to move toward continuous event monitoring, detection, and action across specialist agents, yet existing multi-agent systems largely assume discrete request-response workflows and remain underexplored at enterprise scale. We evaluate DAG Plan and Execute and ReAct across 208 production-derived enterprise scenarios spanning Persona (

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22.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2605.25160

ScaleWoB: Guiding GUI Agents with Coding Agents via Large-Scale Environmental Synthesis

作者:

Guohong Liu ↗Jialei Ye ↗Pengzhi Gao ↗Wei Liu ↗Jian Luan ↗Yunxin Liu ↗Yuanchun Li ↗

arXiv:2605.25160v2 Announce Type: replace Abstract: GUI agents powered by large language models are advancing rapidly, creating urgent needs for evaluation and training based on realistic environments. However, directly doing so in real-world environments introduces some challenges that cannot be overlooked. Real-world environments are complex and uncontrollable, making it difficult to construct verifiable rewards and to save or reset states. Existing works prioritize reproducibility but are often limited to open-source apps or file-operation tasks for reliable reward building, leaving a persistent gap from real-world usage. Furthermore, relying on virtual machines or docker images demand high resource requirements and suffer from slow response speeds, which limit the efficiency. We present \sys, a framework that could produce high-fidelity synthesized interactive environments for GUI agents across platforms with verifiable rewards. These environments behave as backend-free webpages accessible via URL, requiring near-zero setup and low resource cost, making the approach suitable for both large-scale evaluation and downstream agent training. We support multiple GUI platforms including mobile, desktop, and automotive/in-vehicle interfaces based on the same pipeline, covering 100+ environments and 1000+ verifiable tasks. Among them, 120 challenging tasks across 63 simulated mobile applications are released as a fully synthesized mobile GUI agent benchmark. Experiment results on five state-of-the-art mobile GUI agents reveal substantial headroom – the average success rate is only 27.92\%, dropping to 17.82\% on long-horizon subset – while humans reach 92.08\%. A comparison against real-world sample tasks shows that assessments made in our synthetic environments generalize to real apps. The project website is at https://scalewob.github.io.

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23.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2602.09326

Priority-Aware Shapley Value

作者:

Kiljae Lee ↗Ziqi Liu ↗Weijing Tang ↗Yuan Zhang ↗

arXiv:2602.09326v2 Announce Type: replace Abstract: Shapley values are widely used for model-agnostic data valuation and feature attribution, yet they implicitly assume contributors are interchangeable. This can be problematic when contributors are dependent (e.g., reused/augmented data or causal feature orderings) or when contributions should be adjusted by factors such as trust or risk. We propose Priority-Aware Shapley Value (PASV), which incorporates both hard precedence constraints and soft, contributor-specific priority weights. PASV is applicable to general precedence structures, recovers precedence-only and weight-only Shapley variants as special cases, and is uniquely characterized by natural axioms. We develop an efficient adjacent-swap Metropolis-Hastings sampler for scalable Monte Carlo estimation and analyze limiting regimes induced by extreme priority weights. Experiments on data valuation (MNIST/CIFAR10) and feature attribution (Census Income) demonstrate more structure-faithful allocations and a practical sensitivity analysis via our proposed "priority sweeping".

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24.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.15356

ShipNet: A Geometric Deep Learning Surrogate for Real-Time Ship Hydrodynamics

作者:

Kirsten Odendaal ↗George Drakoulas ↗

arXiv:2606.15356v1 Announce Type: cross Abstract: Accurate prediction of hydrodynamic performance is central to ship design, yet high-fidelity computational fluid dynamics remains prohibitively expensive for large-scale parametric exploration. This motivates the development of data-driven surrogate models that provide rapid approximations to hydrodynamic predictions at substantially reduced cost. We present ShipNet, a geometric deep-learning surrogate that predicts both hull-surface pressure distributions and far-field free-surface wave patterns directly from hull geometry and speed. The network employs a regularized dynamic graph convolutional backbone on hull point clouds, with a multi-head decoder for simultaneous near-body pressure and free-surface elevation outputs. Training data consist of 420 inviscid free-surface simulations generated using a potential-flow panel method for two parent yacht hulls, each parameterized into 70 variants and evaluated at three speeds. ShipNet predicts per-point pressure coefficient and two-dimensional wave elevation map using a composite loss that combines point-wise regression and image-structure terms. On a geometry-held-out test set, ShipNet achieves R^2=0.98 for hull pressure and R^2=0.91 for wave fields. Inference requires approximately 0.15s per case, yielding over a 550x speedup relative to the potential-flow solver on conventional hardware. Limitations include the restricted geometry and speed ranges and the inviscid training data, while future work will extend the model to high-fidelity viscous simulations with physics-informed regularization.

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25.

arXiv (CS.CV) 2026-06-16 DOI: arXiv:2606.16519

BadWorld: Adversarial Attacks on World Models

作者:

Linghui Shen ↗Mingyue Cui ↗Xingyi Yang ↗

Visual world models (VWMs) synthesize interactive, action-conditioned rollouts from a single context image. However, it remains an open question how robust these models are to adversarial perturbations. Standard adversarial attacks fail to assess this vulnerability because attackers lack ground-truth future videos and cannot predict subsequent user controls. We introduce BadWorld, a label-free adversarial framework tailored for autoregressive VWMs that systematically overcomes both constraints. First, to bypass the need for future supervision, we propose a self-supervised velocity attack that directly disrupts the early denoising dynamics of the model. Second, to ensure the attack generalizes across unpredictable user actions, we formulate a trajectory-adaptive bi-level optimization that actively mines hard control sequences to forge control-agnostic perturbations. Evaluated on representative VWMs with continuous and discrete controls, BadWorld exposes severe structural fragility. Visually indistinguishable adversarial images reliably trigger catastrophic degradation in future rollouts, leading to incomplete denoising, structural collapse, and control inconsistency. These findings reveal critical risks for deploying VWMs in safety-critical systems while highlighting a practical mechanism for privacy protection.

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