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01.
arXiv (quant-ph) 2026-06-11

Quantum repeater segment with free-space coupled co-trapped ions using telecom photon interference

arXiv:2606.12313v1 Announce Type: new Abstract: A quantum repeater segment is a basic building block of a quantum repeater, generating buffered entanglement of quantum memories to connect quantum repeater cells. It also enables the connection between quantum computers. In the implementation we present here, photons emitted from two co-trapped free-space coupled $^{40}$Ca$^+$ ions are converted to the telecom-C band and interfered after transmission over 440$\,$m of optical fiber (220$\,$m per arm), where a photonic Bell measurement is performed to create entanglement between the memories. With this scheme we generate an entangled $\left|\Psi^+\right\rangle$ Bell state with $\ge 68(8)\,$% fidelity, highlighting trapped $^{40}$Ca$^+$ ions as a promising quantum repeater hardware platform.

02.
arXiv (CS.CL) 2026-06-19

Uncertainty Decomposition for Clarification Seeking in LLM Agents

Recent position papers argue that the classical aleatoric/epistemic uncertainty framework is insufficient for interactive large language model (LLM) agents and call for underspecification-aware, decomposed, and communicable uncertainty representations that can unlock new agent capabilities such as proactive clarification seeking and shared mental-model building. Practical deployment constraints – black-box APIs, interactive latency budgets, and the absence of labeled trajectories – rule out logprob-based, multi-sampling, and training-based methods, leaving prompt-based estimation as the most viable family for surfacing such signals at deployment time. We answer this call with a simple prompt-based decomposition that separates action confidence from request uncertainty (u), enabling the agent to ask for clarification when the task specification is ambiguous. To evaluate it, we introduce two clarification-augmented benchmarks (WebShop-Clarification and ALFWorld-Clarification) in which 50% of tasks are deliberately underspecified, and systematically compare the proposed decomposition against ReAct+UE and Uncertainty-Aware Memory (UAM) across five LLM backbones (GPT-5.1, DeepSeek-v3.2-exp, GLM-4.7, Qwen3.5-35B, GPT-OSS-120B) on these variants together with the standard WebShop, ALFWorld, and REAL benchmarks for fault detection. Averaged across the five backbones, the proposed decomposition improves clarification F1 on ALFWorld-Clarification by 73% over ReAct+UE and by 36% over UAM, and leads clarification F1 on every backbone on WebShop-Clarification and on four of five backbones on ALFWorld-Clarification, indicating that the gains generalize beyond a single LLM.

03.
Nature (Science) 2026-06-12

An innovative technology boosts image quality for protein structures

After years of effort, two research teams have developed ‘laser phase plate’ systems that could help cryo-electron-microscopy users to generate high-quality structures for a broad range of proteins. After years of effort, two research teams have developed ‘laser phase plate’ systems that could help cryo-electron-microscopy users to generate high-quality structures for a broad range of proteins.

05.
arXiv (quant-ph) 2026-06-16

Bath memory as a precision resource in quantum transport

arXiv:2606.17026v1 Announce Type: new Abstract: Structured baths can reshape transport fluctuations in mesoscopic quantum devices, yet a predictive criterion for when this enhances precision has been lacking. We propose a route towards such precision advantages by utilizing bath memory in coherent fermionic transport through a noninteracting quantum-dot chain. Using the Landauer-Büttiker formalism, we derive a dual impedance-matching condition that synchronizes the conductor mode splitting, boundary dissipation, and bath bandwidth, and sustains constructive multimode interference across the transmission window. The analytical predictions for the optimal bath bandwidths show excellent agreement with exact nonequilibrium Green's function calculations of the transport for Lorentzian, Gaussian, and Newns spectral densities. The prescription yields an optimal bath bandwidth at which the current Fano factor is minimized and the thermodynamic and kinetic precision coefficients are simultaneously enhanced beyond their Markovian limits. The alignment of the optimal precision regime with the experimentally accessible current Fano factor minimum thus provides a practical strategy for designing precision-enhanced transport in mesoscopic platforms such as semiconductor quantum-dot arrays and ultracold fermionic channels.

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

Text region detection in historical astronomical diagrams

Text detection is a crucial task in the analysis of historical documents. While datasets and benchmarks exist for text detection in manuscripts and maps, the study of text in mathematical diagrams has received little attention. To address this, we introduce a large-scale, diverse, open-access dataset of 948 historical astronomical diagrams containing 10,940 oriented polygonal text regions. Our dataset spans ten centuries (8th to 18th) and seven main linguistic traditions: Arabic and Persian (115), Chinese (332), Byzantine (233), Latin (185), Hebrew (48), and Sanskrit (35). It captures a wide range of diagram styles and textual content, from symbols to multi-line paragraphs. Each text instance is annotated with ordered polygons that precisely delineate text regions and encode the reading direction. In addition, we annotated the 2,293 regions in Latin diagrams with 20 class labels. We evaluated several strong baselines on our dataset, including TESTR, DeepSolo++, and Poly-DETR, a simple extension of DINO-DETR that we design to predict ordered polygon vertices. Poly-DETR achieves state-of-the-art performance on the MTHv2 and cBAD2019 benchmarks and provides a solid, simple baseline on our dataset. Code and dataset available online.

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

GH-ESD: Grounded Hypothesis-Driven Error Slice Discovery for Instance-Level Vision Tasks

Systematic failures of vision models on semantically coherent subsets, known as error slices, reveal limitations in robustness and evaluation. Existing slice discovery approaches largely model slices as clusters in representation space or combinations of predefined attributes. While effective for image-level classification, such formulations are insufficient for instance-level tasks such as object detection and segmentation, where failures often arise from contextual relational and spatially grounded visual patterns. We propose GH-ESD (Grounded Hypothesis-Driven Error Slice Discovery), a generate and verify framework that reformulates slice discovery as grounded hypothesis generation and statistical verification. GH-ESD constructs relational failure hypotheses using LLM priors and grounded visual evidence, discovers hypothesis slices at the instance level via Vision Language Models, and verifies them through statistical trend analysis over instance-level errors. We also introduce GESD (Grounded Error Slice Dataset), a new benchmark for instance-level error slice discovery, providing expert-defined and spatially grounded slices derived from detection and segmentation failures. Extensive experiments demonstrate that GH-ESD consistently outperforms baselines, improving Precision@10 by 0.10 (0.73 vs. 0.63) on the GESD benchmark for detection tasks, while also supporting segmentation scenarios. GH-ESD identifies interpretable slices that facilitate actionable model improvements. The GESD dataset will be made publicly available upon acceptance.

08.
arXiv (quant-ph) 2026-06-16

Scheme for Transport-based Global Entanglement Distribution using Quantum Processors

arXiv:2606.15421v1 Announce Type: new Abstract: We propose a scheme for distributing entanglement over global distances in a heralded manner by using satellites to physically transport entangled processor nodes with rare-earth-ion qubits. A full analysis of channel losses, errors and background light is performed to determine the fidelity and number of entangled pairs that can be distributed between two ground stations. We show that the scheme works already with a single satellite and can distribute close to the theoretical maximum number of entangled pairs that can be generated in a satellite overpass. In addition, we argue that in theory transportation-based schemes outperform other satellite-based schemes and can be scaled up to a constellation without additional channel losses. Daytime operation seems feasible as long as the sky is clear, with an EPR pair fidelity ranging from 99.3% at shorter network lengths to 93.9% with global coverage and can be further improved by active error correction or entanglement purification.

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

MLaGA: Multimodal Large Language and Graph Assistant

arXiv:2506.02568v2 Announce Type: replace Abstract: Large Language Models (LLMs) have demonstrated substantial efficacy in advancing graph-structured data analysis. Prevailing LLM-based graph methods excel in adapting LLMs to text-rich graphs, wherein node attributes are text descriptions. However, their applications to multimodal graphs–where nodes are associated with diverse attribute types, such as texts and images–remain underexplored, despite their ubiquity in real-world scenarios. To bridge the gap, we introduce the Multimodal Large Language and Graph Assistant (MLaGA), an innovative model that adeptly extends LLM capabilities to facilitate reasoning over complex graph structures and multimodal attributes. We first design a structure-aware multimodal encoder to align textual and visual attributes within a unified space through a joint graph pre-training objective. Subsequently, we implement a multimodal instruction-tuning approach to seamlessly integrate multimodal features and graph structures into the LLM through lightweight projectors. Extensive experiments across multiple datasets demonstrate the effectiveness of MLaGA compared to leading baseline methods, achieving superior performance in diverse graph learning tasks under both supervised and transfer learning scenarios.

10.
arXiv (CS.LG) 2026-06-16

SSNAPS: Audio-Visual Separation of Speech and Background Noise with Diffusion Inverse Sampling

arXiv:2602.01394v2 Announce Type: replace-cross Abstract: This paper addresses the challenge of audio-visual single-microphone speech separation and enhancement in the presence of real-world environmental noise. Our approach is based on generative inverse sampling, where we model clean speech and ambient noise with dedicated diffusion priors and jointly leverage them to recover all underlying sources. To achieve this, reformulate a recent inverse sampler to match our setting. We evaluate on mixtures of 1, 2, and 3 speakers with noise and show that, despite being entirely unsupervised, our method consistently outperforms leading supervised baselines in WER across all conditions. We further extend our framework to handle off-screen speaker separation. Moreover, the high fidelity of the separated noise component makes it suitable for downstream detection of the acoustic scene. Code and pretrained models will become available upon acceptance. Demo page: https://ssnaps2026.github.io/ssnaps2026/

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

Multi-component Causal Tracing in Large Language Models

Causal tracing systematically intervenes on a large language model's (LLM's) internal representations to uncover and quantify the causal pathways linking specific inputs or computations to specific metrics of interest, quantifying the LLM's behavior. Building on previous single-component or single-layer studies, this paper presents a unified framework for causally tracing multiple components simultaneously. This framework systematically identifies the subsets of components (e.g., attention heads and multi-layer perceptron neurons) most critical to a desired target performance metric (e.g., accuracy and fairness). This is achieved by incorporating flexible interventions applied to a wide range of desired metrics. To address the combinatorial complexity of the multi-component problem, an efficient algorithm is designed that leverages soft interventions and a carefully designed metric transformation, converting the combinatorial search problem into a continuous one that can be solved efficiently under proper constraints, thereby generating proper binary decisions for selecting components. Experimental results demonstrate that the proposed method efficiently identifies subsets of the model's components that have a high impact on the target metric, outperforming existing baseline approaches. Our code is available at https://github.com/ZiruiYan/multi-component-causal-tracing.

12.
arXiv (CS.LG) 2026-06-18

Anomaly Detection for Sparse and Irregular Multivariate Time Series with Latent SDEs

arXiv:2606.18898v1 Announce Type: new Abstract: Multivariate time series anomaly detection (MTSAD) is critical for a wide range of application areas, such as industrial monitoring, cybersecurity, or healthcare. Real-world data is often sparse, irregularly sampled or partially observed, yet existing methods assume uniformly sampled time series. We propose a generative approach based on Latent SDEs that projects the observed time series on a continuous-time stochastic dynamical system, directly being able to handle missing observations and irregular sampling, while also naturally capturing possible cyclic behavior that many real-world use cases inherently possess. Experiments on six anomaly benchmark datasets show that our proposed method ranks first among state-of-the-art baselines. We further demonstrate that our method remains robust under severe data sparsity, while performance significantly degrades for the tested baseline methods. These results highlight latent SDEs as a natural inductive bias for anomaly detection in multivariate time series, especially in presence of real-world irregularities.

13.
arXiv (CS.LG) 2026-06-11

RePAIR: Predictive Self-Supervised Representation Learning in Chess

arXiv:2606.11860v1 Announce Type: new Abstract: In this paper, we introduce Representation Prediction via Autoencoding using Iterative Refinement (RePAIR) - a novel self-supervised representation learning architecture that synthesizes Masked Autoencoders (MAE), Joint Embedding Predictive Architectures (JEPA), and Bidirectional Encoder Representations from Transformers (BERT). We demonstrate how it can be used to encode objects in sequential data like consecutive chess positions into compact yet meaningful representations. The basic principle of the architecture is to mask large portions of a sequence of latent states, similar to BERT and MAE. Then, we apply a lightweight Predictor to the latent representations that repairs gaps in the sequence in a lower-dimensional embedding space akin to JEPA. Our experiments in the domain of chess show that the Encoder refines the board representations such that meaningful chess concepts emerge clustered in the latent space. Furthermore, reconstructions of the masked board states show that the model is able to reason about the piece movements without relying on costly reinforcement learning methods. Lastly, we find that the resulting representation space allows for quick and intuitive dissections of chess games by observing the game path trajectories in this semantically rich space.

14.
arXiv (CS.LG) 2026-06-18

A Streaming Sparse Cholesky Method for Derivative-Informed Gaussian Process Surrogates Within Digital Twin Applications

arXiv:2511.00366v2 Announce Type: replace-cross Abstract: Digital twins are developed to model the behavior of a specific physical asset (or twin), and they can consist of high-fidelity physics-based models or surrogates. A highly accurate surrogate is often preferred over multi-physics models as they enable forecasting the physical twin future state in real-time. To adapt to a specific physical twin, the digital twin model must be updated using in-service data from that physical twin. In this paper, we combine and extend several previous surrogate-related advancements with the goal of demonstrating an end-to-end digital twin (DT) solution for predicting performance of an aircraft structure (the physical asset). To this end, we extend Gaussian process (GP) models to include derivative data, for improved accuracy, with dynamic updating to ingest physical twin data during service. Including derivative data, however, comes at a prohibitive cost of increased covariance matrix dimension. We circumvent this issue through our modified dynamic sparse Cholesky linear system solver. Numerical experiments demonstrate that the prediction accuracy of the derivative-enhanced sparse Cholesky GP method produces improved models upon dynamic data additions. Lastly, we demonstrate the developed algorithm within a DT framework to model fatigue crack growth in an aerospace vehicle, thereby exhibiting through our assembled engineered system how digital twin technologies can be combined in practice.

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

Phase Transitions in Attention: A Bayesian Theory of Copy Head Emergence

arXiv:2606.12058v1 Announce Type: cross Abstract: Attention is the key mechanism underlying in-context learning in transformers, and attention patterns have been observed empirically to emerge abruptly during training. We present a Bayesian theory of feature learning in attention; we then focus on how the copy subcircuit in the first layer of an induction head is learned by analyzing a single-layer softmax attention network trained on a copy task. We derive a closed-form posterior over the attention matrix and reduce it to a low-dimensional order parameter space. This reduction reveals a phase transition in the amount of training data, which we verify using both Bayesian sampling and standard training with Adam. We contrast our results with linear attention and find that softmax attention exhibits a first-order phase transition while in linear attention an initial second-order phase transition is followed by a smooth, continuous evolution toward the structured attention pattern (crossover). Our work provides a first-principles theoretical account of the abrupt emergence of the copy subcircuit, reminiscent of the one observed in training large language models.

16.
medRxiv (Medicine) 2026-06-17

MedAgent: A Retrieval-Augmented Clinical Decision Support Agent with Verifiable Evidence Grounding for Evidence-Based Medicine

Evidence-based medicine demands clinical answers that are not only fluent and medically plausible, but also anchored in traceable evidence, tailored to patient-specific clinical questions, sensitive to the hierarchy of evidence, and respectful of clinical safety boundaries. While general-purpose large language models (LLMs) exhibit strong medical language generation ability, they tend to lean on parametric memory, underuse retrieved evidence, hallucinate citations, conflate evidence levels, and draw conclusions that are not fully supported by the underlying literature. Such limitations pose particular risks in clinical decision support, where answer reliability, evidence traceability, and reasoning consistency are paramount. To address these issues, we present MedAgent, an evidence-based medical agent trained through an end-to-end pipeline that integrates supervised fine-tuning (SFT) cold start, reward modeling, and Group Relative Policy Optimization (GRPO). The agent is designed to execute a structured workflow encompassing clinical question understanding, PICO extraction, evidence retrieval, evidence stratification, citation-grounded answer generation, and quality evaluation. Specifically, a Qwen2.5-14B-Instruct backbone is first cold-started on 200 human-verified agent trajectories, equipping it with tool invocation, PICO parsing, structured response generation, and citation faithfulness. Next, a Qwen2.5-7B reward model is trained on 2{,}099 pairwise preference samples to provide semantic-level quality signals for evidence-based responses. Finally, GRPO reinforcement learning is conducted in a retrieval-augmented agent environment, where every rollout involves real evidence retrieval and is scored jointly by rule-based rewards and reward-model signals. To avoid over-reliance on training rewards, we further construct an independent evidence-based medical evaluation benchmark, MedTrustBench, which contains 200 clinical questions spanning 10 specialties and four difficulty levels. Each question is annotated with standardized PICO elements and rubric-based scoring criteria. The benchmark includes 1{,}187 rubrics across seven dimensions: question relevance, evidence hierarchy, evidence quality and timeliness, evidence-answer consistency, completeness and depth, logical rigor, and medical terminology. Under an identical RAG pipeline, retrieval tool, retrieval configuration, and evaluation protocol, MedAgentv17 attains 78.6 points, outperforming GPT-4.1 (75.3) and approaching GPT-5.4 (80.3). These results show that a 14B domain-aligned model can surpass strong general-purpose baselines on specialized evidence-based medical reasoning, while delivering practical advantages in cost, privacy, controllability, and hospital-oriented private deployment. The model and associated datasets are publicly released at https://www.modelscope.cn/profile/InfoxmedModel

17.
arXiv (CS.CV) 2026-06-19

Benchmarking Vision Foundation Models for Domain-Generalizable Face Anti-Spoofing

Face Anti-Spoofing (FAS) remains challenging due to the requirement for robust domain generalization across unseen environments. While recent trends leverage Vision-Language Models (VLMs) for semantic supervision, these multimodal approaches often demand prohibitive computational resources and exhibit high inference latency. Furthermore, their efficacy is inherently limited by the quality of the underlying visual features. This paper revisits the potential of vision-only foundation models to establish a highly efficient and robust baseline for FAS. We conduct a systematic benchmarking of 15 pre-trained models, such as supervised CNNs, supervised ViTs, and self-supervised ViTs, under severe cross-domain scenarios including the MICO and Limited Source Domains (LSD) protocols. Our comprehensive analysis reveals that self-supervised vision models, particularly DINOv2 with Registers, significantly suppress attention artifacts and capture critical, fine-grained spoofing cues. Combined with Face Anti-Spoofing Data Augmentation (FAS-Aug), Patch-wise Data Augmentation (PDA) and Attention-weighted Patch Loss (APL), our proposed vision-only baseline achieves state-of-the-art performance in the MICO protocol. This baseline outperforms existing methods under the data-constrained LSD protocol while maintaining superior computational efficiency. This work provides a definitive vision-only baseline for FAS, demonstrating that optimized self-supervised vision transformers can serve as a backbone for both vision-only and future multimodal FAS systems. The project page is available at: https://gsisaoki.github.io/FAS-VFMbenchmark-CVPRW2026/ .

18.
arXiv (CS.CL) 2026-06-12

One Polluted Page Is Enough: Evaluating Web Content Pollution in Generative Recommenders

Search-augmented LLMs increasingly mediate everyday consumer recommendations by retrieving live web content. This creates a new risk: generative recommenders may consume polluted web content, such as fake reviews and promotional pages crafted to mislead recommendations. We ask: to what extent do search-augmented LLMs become unwitting promoters of fake products when consuming polluted retrieval results? To answer this, we introduce FORGE (Fake Online Recommendations in Generative Environments), a benchmark for measuring fake-product promotion under controlled web-content pollution. Given an upstream search result, FORGE locally rewrites real products in retrieved web pages into fake ones to simulate web-content pollution, and measures how often the LLM recommends the fake product. FORGE covers 225 real-world products across 15 categories and 5 consumer scenarios. Across 12 commercial and open-weights LLMs, all models are vulnerable: a single polluted page yields fooled rates of up to 27%, while the full top-3 replacement raises this to 73.8%. Vulnerability varies substantially across categories, increasing when models lack stable prior knowledge of the relevant products. Reasoning does not mitigate this vulnerability; instead, it often generates spurious social proof to justify false recommendations. We evaluate three defenses: skepticism prompting and consensus filtering (over model priors or cross-document evidence). Skepticism can exacerbate vulnerability, much like reasoning, while filtering risks suppressing legitimate products. We release FORGE at https://github.com/leoluolol/forge-benchmark.

19.
arXiv (CS.AI) 2026-06-16

The Initial Exploration Problem in Knowledge Graph Exploration

arXiv:2602.21066v2 Announce Type: replace Abstract: Knowledge Graphs (KGs) enable the integration and representation of complex information across domains, but their semantic richness and structural complexity create substantial barriers for lay users without expertise in semantic web technologies. When encountering an unfamiliar KG, such users face a distinct orientation challenge: they do not know what questions are possible, how the knowledge is structured, or how to begin exploration. This paper identifies and theorises this phenomenon as the Initial Exploration Problem (IEP). Drawing on theories from information behaviour and human-computer interaction, including ASK, exploratory search, information foraging, and cognitive load theory, we develop a conceptual framing of the IEP characterised by three interdependent barriers: scope uncertainty, ontology opacity, and query incapacity. We argue that these barriers converge at the moment of first contact, distinguishing the IEP from related concepts that presuppose an existing starting point or information goal. Analysing KG exploration interfaces at the level of interaction primitives, we suggest that many systems rely on epistemic assumptions that do not hold at first contact. This reveals a structural gap in the design space: the absence of interaction primitives for scope revelation, mechanisms that communicate what a KG contains without requiring users to formulate queries or interpret ontological structures. In articulating the IEP, this paper provides a theoretical lens for evaluating KG interfaces and for designing entry-point scaffolding that supports initial exploration.

20.
medRxiv (Medicine) 2026-06-11

Malaria Risk among Internally Mobile Individuals and Heterogeneous Mobility Patterns in Two Hypoendemic Communities: Implications for Malaria Elimination in the Peruvian Amazon.

Background: Human mobility is increasingly recognized as a key factor influencing malaria transmission dynamics, particularly in low-transmission settings approaching elimination. This study aimed to assess mobility patterns and their association with malaria risk in two hypoendemic communities in the Peruvian Amazon. Method: A longitudinal study was conducted in the communities of Libertad and Urcomirano (Mazan River basin). Monthly population screenings were combined with weekly active and passive case detection. A total of 678 individuals were enrolled. Mobility patterns were assessed through structured questionnaires, and social network analysis was used to characterize travel connections. Log-binomial regression analysis was applied to identify risk factors associated with malaria infection. Result: Internally, mobile individuals in Libertad showed a higher malaria incidence (>32.47 cases per 1,000 person-months) than those in Urcomirano (

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

MMRINet: Efficient Mamba-Based Segmentation with Dual-Path Refinement for Low-Resource MRI Analysis

Automated brain tumor segmentation in multi-parametric MRI remains a critical yet underserved challenge in resource-constrained clinical settings, where deep 3D networks requiring high-end GPUs are not viable. This is particularly acute across sub-Saharan Africa (SSA), where low-field scanners, heterogeneous patient demographics, and severe data scarcity compound the difficulty of applying standard deep learning pipelines. We present MMRINet, a lightweight segmentation architecture purpose-built for these constraints. At its core, MMRINet replaces quadratic-complexity self-attention with linear-complexity Mamba state-space models, enabling efficient long-range volumetric context modeling without the computational overhead of Transformer-based approaches. We combine two lightweight refinement components:Dual-Path Feature Refinement (DPFR), which extracts complementary detail and contextual representations to improve feature diversity under limited data, and Progressive Feature Aggregation (PFA), which hierarchically fuses multi-scale decoder outputs for sharper segmentation boundaries. Evaluated on the BraTS-Lighthouse SSA 2025 challenge dataset, comprising 3D MRI scans from Nigerian clinical sites, MMRINet achieves an average Dice score of 0.752 and an average HD95 of 12.23 mm with only ~2.5M parameters, outperforming all evaluated baselines, including UNETR, Swin-UNETR, SegMamba, and SegResNet3D. These results indicate that strong validation-set segmentation performance can be achieved with substantially reduced computation, offering a practical step toward AI-assisted neuro-oncology in low-resource clinical environments. Our GitHub repository can be accessed here: BioMedIA-MBZUAI/MMRINet.

22.
arXiv (CS.AI) 2026-06-11

Engineering Robustness into Personal Agents with the AI Workflow Store

arXiv:2605.10907v3 Announce Type: replace-cross Abstract: The dominant paradigm for AI agents is an "on-the-fly" loop in which agents synthesize plans and execute actions within seconds or minutes in response to user prompts. We argue that this paradigm short-circuits disciplined software engineering (SE) processes – iterative design, rigorous testing, adversarial evaluation, staged deployment, and more – that have delivered the (relatively) reliable and secure systems we use today. By focusing on rapid, real-time synthesis, are AI agents effectively delivering users improvised prototypes rather than systems fit for high-stakes scenarios in which users may unwittingly apply them? This paper argues for the need to integrate rigorous SE processes into the agentic loop to produce production-grade, hardened, and deterministically-constrained agent *workflows* that substantially outperform the potentially brittle and vulnerable results of on-the-fly synthesis. Doing so may require extra compute and time, and if so, we must amortize the cost of rigor through reuse across a broad user community. We envision an *AI Workflow Store* that consists of hardened and reusable workflows that agents can invoke with far greater reliability and security than improvised tool chains. We outline the research challenges of this vision, which stem from a broader flexibility-robustness tension that we argue requires moving beyond the ``on-the-fly'' paradigm to navigate effectively.

23.
arXiv (CS.LG) 2026-06-16

Spectral Analysis of Molecular Features: When Richer Features Do Not Guarantee Better Generalization

arXiv:2510.14217v2 Announce Type: replace Abstract: The spectral properties of feature embeddings offer critical insights into model generalization and representation quality. While deep learning models are widely used for molecular property prediction, kernel methods remain competitive in low-data regimes, yet their spectral behavior is largely unexplored. We present the first comprehensive spectral analysis of kernel ridge regression across diverse representations-including molecular fingerprints (ECFP), pretrained transformers, graph neural networks, and 3D descriptors-evaluated on QM9 and 3 MoleculeNet benchmarks. Surprisingly, richer spectral features do not consistently yield better generalization performance, contradicting common representation heuristics used in self-supervised learning (SSL). Across 4 spectral metrics, only ECFP-based kernels show a strictly positive correlation with performance. Transformer and global 3D representations exhibit mixed behavior, whereas local 3D representations show consistently negative correlations. Truncation analysis further emphasizes this disparity: for local 3D representations on thermodynamic targets, fewer than 2\% of eigenvalues (and occasionally as few as 0.02\%) are needed to recover 95\% of performance, whereas ECFP and transformer kernels require significantly more. By demonstrating a strong dependence on both task and representation, our results challenge the heuristic that richer spectra inherently improve generalization, providing new guidance for evaluating representations in SSL and in label-limited scientific tasks.

24.
arXiv (CS.CL) 2026-06-15

X-OPD: Cross-Modal On-Policy Distillation for Capability Alignment in Speech LLMs

While the shift from cascaded dialogue systems to end-to-end (E2E) speech Large Language Models (LLMs) improves latency and paralinguistic modeling, E2E models often exhibit a significant performance degradation compared to their text-based counterparts. The standard Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) training methods fail to close this gap. To address this, we propose X-OPD, a novel Cross-Modal On-Policy Distillation framework designed to systematically align the capabilities of Speech LLMs to their text-based counterparts. X-OPD enables the Speech LLM to explore its own distribution via on-policy rollouts, where a text-based teacher model evaluates these trajectories and provides token-level feedback, effectively distilling teacher's capabilities into student's multi-modal representations. Extensive experiments across multiple benchmarks demonstrate that X-OPD significantly narrows the gap in complex tasks while preserving the model's inherent capabilities.

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

When Confidence Lacks Concepts: Interpretable OOD Detection via Representation Perturbations

Deep neural networks have achieved remarkable performance across medical imaging tasks, yet their tendency to overgeneralize under distributional shifts poses a major obstacle to safe clinical deployment. Out-of-Distribution (OOD) detection methods aim to mitigate this risk, but most existing approaches rely on opaque internal signals with poorly understood semantic meaning, limiting trust in safety-critical settings. In this work, we propose an interpretable OOD detection framework that probes the stability of model predictions under class-conditioned semantic perturbations. Leveraging sparse autoencoders (SAEs), we learn class-specific concept vectors from in-distribution data that disentangle dense intermediate representations into sparse, semantically meaningful components. At inference, we perturb deeper-layer representations using the concept vectors associated with the model's predicted class and measure the class logits stability. We hypothesize that in-distribution samples exhibit low sensitivity to such perturbations, as their representations align with class-specific semantic directions, whereas OOD samples show amplified deviations due to representational misalignment. By framing OOD detection as a concept conditioned stability analysis, our approach provides both a discriminative OOD signal and an interpretable lens into the internal mechanisms driving model uncertainty, making it particularly suitable for high stakes medical applications.