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01.
arXiv (CS.CL) 2026-06-24

CALIBER: Calibrating Confidence Before and After Reasoning in Language Models

Reasoning language models are increasingly asked not only to answer difficult questions, but also to estimate their likelihood of success. Existing methods typically elicit confidence only once: either before thinking or after answering. We argue that confidence in reasoning models is state-dependent: before thinking, confidence should estimate the chance of the model correctly solving the prompt, while after thinking it should predict whether the realized answer is likely to be correct. This distinction determines the appropriate supervision target: prompt-level success should supervise confidence estimates made after seeing the prompt, while individual answer-level correctness should supervise confidence estimates made after answering. We introduce CALIBER (Calibration Before and After Reasoning), which elicits both estimates and supervises each with the target matched to its information state. Under this unified protocol, CALIBER reduces Expected Calibration Error (ECE) by 52.5% over the strongest single-confidence baseline on BigMathDigits for the 7B model, while achieving the best Brier score and AUROC, and remains within 2.1 points of the best accuracy. Further, on a larger 30B model, CALIBER achieves the best ECE on BigMathDigits while remaining competitive in Brier score and AUROC. Out of distribution, it achieves the best ECE and Brier score on GPQA and TriviaQA, and remains competitive on SimpleQA. Ablations further show that this position-target alignment is most beneficial under distribution shift where it consistently reduces calibration error across all out-of-distribution benchmarks.

02.
arXiv (math.PR) 2026-06-11

Marked random graphs with given degree sequence: large deviations on the local topology

arXiv:2401.00351v2 Announce Type: replace Abstract: We investigate the behavior of the empirical neighborhood distribution of marked graphs in the framework of local weak convergence. Here we extend known results by considering uniform random graphs with given degree sequences and i.i.d. marks on half-edges and vertices. We establish a large deviation principle for such families of empirical measures. The proof builds on Bordenave and Caputo's seminal 2015 paper, and Delgosha and Anantharam's 2019 introduction of BC entropy, relying on combinatorial lemmas that allow one to construct suitable approximations of measures supported on marked trees. Possible applications of these results are in the study of interacting diffusions on top of random graphs.

03.
arXiv (quant-ph) 2026-06-17

Creating squeezed and non-classical collective motional many-body states through stroboscopic Rydberg dressing

arXiv:2606.17849v1 Announce Type: cross Abstract: Realizing conditional quantum operations, e.g., quantum gates, for quantum computing and simulation requires controlled interactions between particles. Often, these interactions depend on the interparticle distance, and accordingly, an uncertainty of the relative particle position may translate into gate infidelities. We consider here a quantum computing platform based on an array of neutral atoms and present a method that allows to reduce the uncertainty of all interatomic distances. Our approach exploits the coupling between atomic motion and stroboscopically excited atomic Rydberg states. It allows to collectively squeeze the modes corresponding to interatomic displacements, thereby reducing distance fluctuations down to a fraction of the motional vacuum state. Furthermore, the method permits the creation of non-classical states with substantial Wigner negativity. These correlated states may allow reducing motional decoherence, increasing gate fidelity, and potentially yield a resource for quantum-enhanced metrology.

04.
arXiv (CS.AI) 2026-06-12

An Explainable AI Assistant for Introductory Programming Education: Improving Feedback Reliability with Instructor-AI Collaboration

arXiv:2606.12425v1 Announce Type: cross Abstract: Active learning is widely recognized as an effective approach for improving learning outcomes in introductory programming courses. However, insufficient instructional support often limits students' access to timely, personalized feedback, which is crucial for mastering foundational programming concepts. Although recent advances in AI, particularly large language models, offer scalable opportunities for feedback, concerns about explainability and reliability remain. In this paper, we present an AI-driven classroom assistant that leverages an explainable AI model to analyze student code, map logical errors to instructor-identified misconceptions, and deliver instructor-authored feedback, thereby grounding reliability in instructor-defined pedagogical knowledge. To evaluate the effectiveness of our framework, we conducted an expert evaluation to examine its alignment with instructor-verified feedback and deployed the system in a classroom setting to assess students' perceptions of its usability. Results indicate that the assistant can provide accurate, instructor-verified feedback to students while fostering a positive experience.

05.
arXiv (CS.AI) 2026-06-12

Constructing Evaluation Datasets for Procedural Reasoning: Balancing Naturalness, Grounding, and Multi-Hop Coverage

arXiv:2606.12767v1 Announce Type: new Abstract: Evaluating procedural reasoning in AI-supported learning systems requires question-answer datasets that are both learner-like and grounded in the instructional knowledge the system is expected to use. We study how TMK-based question generation strategies affect dataset quality for procedural and multi-hop reasoning. We compare three strategies: strict generation from Task-Method-Knowledge (TMK) models, transcript-first generation with post-hoc TMK filtering, and TMK-aware generation that combines transcripts with structured guidance. To evaluate generated items, we introduce a grounding validation framework based on closed-set evidence units extracted from TMK models. The framework measures whether answers are supported by the underlying representation, whether questions are self-contained, and whether they target multi-hop procedural reasoning. Across 23 instructional topics and 690 generated question-answer pairs, strict TMK generation achieves the strongest overall quality, with 96.5% grounded questions and 92.6% usable questions. Transcript-first generation produces more learner-like questions but more context-dependent or weakly grounded items, while TMK-aware generation yields high raw multi-hop coverage but lower grounding. These results show that procedural richness and natural phrasing do not guarantee representational grounding, motivating explicit representation-aware validation for evaluation datasets in AI-supported learning.

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

Style-CCL: Content-Preserving Style Transfer via Curriculum Continual Learning

Content-Preserving Style transfer, given content and style references, remains challenging for Diffusion Transformers (DiTs) due to entangled content and style features. With a reverse triplet synthesis pipeline to build a million-scale training set and a dual-branch Style-Content DiT (SC-DiT) that decouples style and content via separate ROPE embeddings and causal masking, we observe that such a one-stage training paradigm on mixed style categories causes semantic styles to dominate, hindering texture style learning, and harming content preservation. To address these issues, we propose Style-CCL, a Multi-Stage Curriculum Continual Learning framework that trains SC-DiT from semantic (easy) to texture (hard) styles, and from clean to synthetic data, with Random Memory Rehearsal across stages to avoid catastrophic forgetting. Extensive experiments demonstrate that our Style-CCL achieves state-of-the-art performance in three core metrics: style similarity, content consistency, and aesthetic quality.

07.
arXiv (CS.LG) 2026-06-16

Agent trajectories as programs: fingerprinting and programming coding-agent behavior

arXiv:2606.16988v1 Announce Type: cross Abstract: Benchmark scores tell you what an agent got right; they do not tell you how it got there. In this work, we introduce methods for comparing agents procedurally in different contexts, where the model, tasks, and approaches vary. We compare ten agents and find that they are identifiable by their behavioral habits, which we define as fingerprints: a probe over these procedural signatures attributes an unseen trajectory to the correct agent at 85.7% accuracy, controlling for leakage across tasks. We develop procedural representations for agent problem-solving procedures with an emergent vocabulary induction technique that is meant to be maximally compressive to avoid surface-level variation while being expressive enough to unveil the quirks of the models' patterns. We apply our framework to the software engineering evaluation dataset SWE-Bench to study the structural distinctness of agent trajectories and find that behavior is most similar between models from similar release periods and those that are distilled from one another (e.g., a distilled student model and its teacher have a Jensen-Shannon divergence of 0.25, about half the distance between other model pairs). As more models saturate evaluations, we believe that it will be important to probe model behavior along more holistic dimensions than success rates alone. We introduce ProcGrep, a library for auditing and evaluating agents for how they approach tasks at a procedural level given their traces in a top-down fashion. We believe this work has a range of applications to help developers work with and program coding agents, such as task-aware model routing, agent monitoring, and finer-grained cost analysis.

08.
PLOS Medicine 2026-05-11

Connected or chained by social media? Child and adolescent mental health in a digital era

作者:

by Silja Kosola Social media has evolved from connection to compulsion, disproportionately harming children and adolescents. Addictive designs together with developmental vulnerability fuel mental health risks and highlight the urgent need for stricter age limits and stronger protections. In this Perspective, Silja Kosola outlines how social media disproportionately harms child and adolescent mental health, and argues that while recent policy changes aimed at protecting youth from social media are welcome, stricter age limits and greater accountability of social media companies are needed.

09.
medRxiv (Medicine) 2026-06-24

Utility of genetic screening for the prediction of severe arrhythmic outcomes in mitral valve prolapse

Background: Cardiomyopathy and channelopathy (CC) gene variants have been linked to sudden cardiac arrest (SCA) or death (SCD) in small, selected pedigree or post-mortem studies of arrhythmic mitral valve prolapse (MVP). However, the utility of clinical whole exome sequencing (WES) panels as a risk stratification tool in unselected MVP samples is unknown. Objectives: The goal of the study was to test the utility of clinical WES panels with CC variant screening for arrhythmic risk stratification in MVP. Methods: We performed research based WES in 203 consecutive MVPs without other arrhythmic substrate. Variants were filtered for rare (

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

Amortizing Maximum Inner Product Search with Learned Support Functions

arXiv:2603.08001v2 Announce Type: replace Abstract: Maximum inner product search (MIPS) is a crucial subroutine in machine learning, requiring the identification of a vector taken within a database (the keys) that best aligns with a given query. We propose amortized MIPS: a regression-based approach that trains neural networks to directly predict MIPS solutions, amortizing the cost of repeatedly solving MIPS for queries drawn from a known distribution over a fixed key database. Our key insight is that the MIPS value function is the support function of the set of keys, a well-studied convex function whose gradient yields the optimal key. This motivates two complementary amortized models: SupportNet, an input-convex neural network trained to regress the support function, and KeyNet, a vector-valued network that directly regresses the optimal key. SupportNet can serve as a cluster router, steering queries toward relevant database partitions, while KeyNet can be used as a drop-in replacement for the original query, fed directly to off-the-shelf indexing pipelines. Our experiments on the BEIR benchmark show that, for document embeddings, learned \SupportNet{}s and \KeyNet{}s significantly improve IVF match rates when accounting for compute effort, whether measured in FLOPs, number of probes, or wall-clock time. Our code is available at: https://github.com/apple/ml-amips.

11.
arXiv (CS.CL) 2026-06-16

SAAS: Self-Aware Reinforcement Learning for Over-Search Mitigation in Agentic Search

Agentic search enables LLMs to solve complex multi-hop questions through iterative reasoning and external search. Despite the effectiveness, these systems often suffer from a critical limitation in practice: agents fail to recognize their own knowledge boundaries, blindly triggering searches when internal knowledge suffices and failing to terminate search even when adequate evidence has been collected. The lack of self-awareness leads to severe over-search, incurring substantial inference latency and prohibitive computational cost. To this end, we propose SAAS, a novel RL framework designed to cultivate dynamic self-awareness that precisely regulates search behavior without compromising accuracy. SAAS introduces three key components: (i) a search boundary modeling mechanism, which identifies the search boundary under the evolving policy by contrasting search-disabled and search-enabled rollouts; (ii) a boundary-aware reward module, which translates this boundary awareness into trajectory-level penalties, suppressing unnecessary and redundant searches; and (iii) a stage-wise optimization strategy, which leverages a sequential curriculum to prioritize reasoning over search regularization, thereby avoiding reward hacking. Extensive experiments demonstrate that SAAS substantially reduces over-search, while maintaining accuracy. Our code and implementation details are released at https://github.com/XMUDeepLIT/SAAS.

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

ArtBoost: Synthetic Articulatory Data Augmentation for Acoustic-to-Articulatory Inversion

arXiv:2606.16327v1 Announce Type: cross Abstract: Recent acoustic-to-articulatory inversion (AAI) models rely on electromagnetic articulography (EMA) data, which are costly and limited in scale. To address this limitation, we propose ArtBoost, a novel data augmentation strategy that leverages large-scale speech–mesh datasets originally developed for speech-driven 3D facial animation to improve AAI under limited EMA supervision. ArtBoost extracts pseudo articulatory trajectories from visible facial anchors and uses them for pre-training before fine-tuning on real EMA data. Experiments show consistent improvements in PCC and RMSE. Trajectory analyses confirm that the pseudo articulatory signals reflect physically meaningful visible articulatory dynamics. Additional evaluations across different AAI architectures demonstrate stable performance gains, indicating that ArtBoost can be integrated into diverse AAI models. These results suggest that speech–mesh data provide an effective and scalable source of articulatory supervision for AAI. Project page: https://cau-irislab.github.io/Interspeech26-ArtBoost/

13.
arXiv (quant-ph) 2026-06-25

Spectral Leakage and Masking Effects in the Measurement of Hyperuniformity

作者:

arXiv:2606.24904v1 Announce Type: cross Abstract: The detection of hyperuniformity relies critically on accurate characterization of the small-wavenumber behavior of the static structure factor of the system. In practice, however, measurements are performed on finite subsystems or through incomplete observations that effectively mask portions of the underlying configuration. Inspired by a recent numerical study [Y. Liu, X. Li, J. Tian, X. Yan, G. Zhang, {\it J. Chem. Phys.} {\bf 164}, 094102 (2026)], we develop a unified theoretical framework that quantifies how finite windows and spatially correlated binary masks modify the observed structure factor. We show that the measured structure factor $S_{obs}(k)$ is the convolution of the intrinsic structure factor with the spectral density of the observation function, whether it is a compact window or an extended random mask. For generic hyperuniform systems with small-$k$ scaling $S(k)\sim k^{\alpha}$, finite observation window induces a universal quadratic leakage term at sufficiently small wavenumbers (i.e., $k \lesssim 1/L$), leading to an apparent $k^{2}$ scaling independent of the true exponent. The true hyperuniform exponent $\alpha$ can only be measured in the intermediate regime $1/L \ll k \ll q_c$. In stealthy hyperuniform systems, where the intrinsic structure factor possesses a spectral gap, all observed small-$k$ power arises entirely from this convolution mechanism. For spatially correlated masks, we derive the corresponding convolution relation in terms of the mask spectral density and identify conditions under which hyperuniform signatures are suppressed, preserved, or distorted. Our results establish quantitative criteria for reliably extracting intrinsic scaling exponents and distinguishing genuine hyperuniform order from measurement-induced artifacts.

14.
arXiv (quant-ph) 2026-06-12

Approximability limits for bounded-degree max-LINSAT and implications for decoded quantum interferometry

arXiv:2606.13570v1 Announce Type: new Abstract: For general max-k-XORSAT with $k \geq 3$, no polynomial-time algorithm can do substantially better than random guessing on worst-case instances unless $\mathsf{P} = \mathsf{NP}$: approximating beyond the random-assignment value of $1/2$ is $\mathsf{NP}$-hard. The picture changes when each variable appears in at most $D$ constraints. In that bounded-degree setting, polynomial-time algorithms can provably beat the random baseline by an additive amount of order $1/\sqrt{D}$. For Boolean instances, this scaling is known to be optimal: the matching hardness result is due to Trevisan, while the corresponding algorithmic guarantee was established by Barak et al. Whether the same holds over general finite fields, and what it implies for quantum algorithms, has not been established. We make this connection explicit and extend the hardness to max-E$k$-LINSAT$(q,r)$ with bounded degree $D$ and over arbitrary finite fields $\mathbb{F}_q$, proving that it is $\mathsf{NP}$-hard to exceed $r/q + \mathcal{O}_{q,r}(1/\sqrt{D})$. These results provide the complexity-theoretic benchmark for the bounded-degree instances targeted by decoded quantum interferometry (DQI), QAOA, and classical heuristics. Any quantum advantage on bounded-degree instances is therefore confined to the constant prefactor. We further show that in the context of DQI and on $(k,D)$-regular instances, this prefactor is sensitive to the nature of the decoder: DQI with classical decoders faces an information-theoretic $1/\sqrt{D \log D}$ barrier that prevents it from matching the hardness scaling, while DQI with quantum decoders is compatible with the $1/\sqrt{D}$ scaling – identifying quantum decoding as the key ingredient for matching the complexity-theoretic scaling with DQI.

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

Characterizing the Impact of NVFP4 Quantization for Low-Power Edge AI Deployment

arXiv:2606.06527v3 Announce Type: replace-cross Abstract: Energy-efficient neural-network inference at the edge requires reducing arithmetic cost, memory traffic, computation energy, and storage overhead while maintaining acceptable accuracy. This paper presents an ablation-focused study of NVFP4 quantization for edge-efficient neural networks, with emphasis on the relationship between activation precision, weight precision, block-size scaling, retraining, and model accuracy. NVFP4 activations are represented using 4-bit FP4 data, an FP8 block scale, and an FP32 tensor scale, enabling ultra-low precision inference while preserving activation dynamic range. A block-size ablation over six edge-efficient models shows that block size B = 16 provides a practical accuracy/storage trade-off, requiring only 4.5078 bits per input for N = 4096. A weight precision ablation further shows that FP8 and FP16 weights provide only modest gains over FP4 weights under the same NVFP4 activation path, suggesting that activation quantization and scaling dominate much of the accuracy behavior. To isolate the benefit of the NVFP4 data type, this work compares conventional unscaled FP4 activation inference and NVFP4 activation inference with and without retraining. The results show that conventional FP4 inference collapses accuracy for most compact models, while NVFP4 without retraining already recovers substantial accuracy by restoring activation dynamic range through FP8 block scaling and FP32 tensor scaling. When combined with retraining, NVFP4 achieves the best accuracy across the evaluated models, demonstrating the effectiveness of scaling-aware FP4 (NVFP4) inference. These findings provide general design guidance for hardware-software co-design of low power edge inference across a broad range of accelerator platforms, including GPUs, Tensor Cores, FPGAs, domain-specific AI accelerators, near-memory computing systems, and emerging edge-computing architectures.

16.
bioRxiv (Bioinfo) 2026-06-14

Virtual phenotypic screening discovers novel scaffolds inhibiting the PI3K/mTOR pathway

Phenotypic drug discovery has yielded many first-in-class small-molecule drugs by discovering modulators of disease phenotypes in physiologically relevant cellular systems. However, high-content phenotypic assays lack the ultra-high-throughput scalability of target-based screens. Recent advances in virtual screening present an opportunity to address this bottleneck, but have been limited to simple phenotypes like viability, restricted to small repurposing libraries, or lack in-depth biological validation. Here, we present PhenoCompass, a multimodal co-embedding model that aligns compound structures and high-content phenotypic imaging to enable virtual phenotypic screening over billion-compound libraries. Following training on the Joint Undertaking in Morphology dataset with more than 100,000 Cell Painting compound profiles, retrospective validation with historical biochemical high-throughput screening data demonstrates that PhenoCompass ranks compounds according to their biochemical target engagement. Leveraging PhenoCompass, we performed a prospective screen of 3.8 billion Enamine REAL compounds for inhibitors of PI3K/mTOR pathway, a critical signaling cascade whose aberrant activation is a common tumor driver. This search identified 11 novel compounds with pathway-consistent Cell Painting readout and diverse scaffolds, a 54-fold enrichment over the training set. Orthogonal validation experiments using a FOXO3A reporter assay and direct kinase inhibition confirmed seven structurally novel inhibitors with distinct mechanisms of action. These results highlight the convergence of diverse molecular target profiles onto a shared morphological pathway signature and establish PhenoCompass as a robust framework for high-content phenotypic virtual screening.

17.
arXiv (CS.AI) 2026-06-24

Governed Shared Memory for Multi-Agent LLM Systems

arXiv:2606.24535v1 Announce Type: new Abstract: Multi-agent LLM environments require robust mechanisms for shared knowledge management. This paper formalizes the fleet-memory problem and identifies four foundational failure modes: unauthorized leakage, stale propagation, contradiction persistence, and provenance collapse. To address these, we define explicit systems-level primitives: scoped retrieval, temporal supersession, provenance tracking, and policy-governed memory propagation. These primitives are implemented in MemClaw, a production multi-tenant memory service, and evaluated via ArgusFleet, a reproducible harness testing four governance dimensions. Rather than a baseline comparison, this study measures a live production service, emphasizing real-world architectural insights and negative results. Key Evaluation Results Provenance: Successfully reconstructed 100% of depth-four derivation chains with correct writer identity at sub-second per-hop latency. Propagation: Demonstrated high intra-fleet visibility with zero cross-fleet leakage. Under strong write mode, write-to-visible latency was optimized to a single search round-trip. Production Architectural Issues Discovered Asymmetric Scope Enforcement: Tenant isolation held, but sub-tenant scope was initially bypassed on direct GET-by-id requests for agent-scoped credentials (disclosed and remediated during the study). Pipeline Ordering Conflict: While contradiction supersession works for admitted writes, a synchronous near-duplicate gate can prematurely reject contradictory writes before the asynchronous contradiction detector can evaluate them. Conclusion: Long-context retrieval alone is insufficient for production multi-agent memory. Governed shared memory demands explicit systems-level abstractions, and live evaluation is vital to expose enforcement and pipeline-ordering failures missed by design-only treatments.

18.
medRxiv (Medicine) 2026-06-16

AI-assisted continuous-time modelling of metastatic breast cancer reveals subtype-specific spatiotemporal organ interactions

Metastatic breast cancer is one of the leading causes of premature mortality among women worldwide. A major barrier to optimal care is the marked heterogeneity in both the temporal dynamics of metastatic spread and the organ-specific spatial distribution of metastases. Existing analyses do not adequately capture this complexity, as they either neglect temporal dependencies or assume independence between metastasic sites. As a result, it remains unclear how established metastases influence subsequent organ-specific dissemination. We address this question using patient-level longitudinal trajectories from a large multicentre real-world metastatic breast cancer registry, combined with an AI-assisted disease-progression modelling framework based on continuous-time Markov chains that represent combinations of metastatic sites and the non-uniform and practice-driven timing of radiologic response assessments, as encountered in routine clinical care. We present a stochastic model determined by progression rates, which are parameterised to capture baseline organ-specific transition risks, patient-level covariates, and pairwise inter-organ interaction effects. High-dimensional treatment information is incorporated using an large language model based encoding. We find that metastatic spread follows non-independent, subtype-specific spatiotemporal patterns, with subtype-specific inter-organ interaction patterns that shape progression. Visceral metastases, particularly lung and liver metastasis, are associated with an increased hazard of subsequent brain metastasis, with effects varying across hormone receptor-positive, HER2-positive, and triple-negative subtypes. Together, these findings define a clinically relevant spatiotemporal architecture of metastatic progression in breast cancer. This framework enables refined mechanism-informed risk stratification and provides a data-driven rationale for targeted and risk-adapted – rather than symptom-triggered – surveillance strategies.

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

From Prompts to Tokens: Internalizing Causal Supervision in Vision-Language Model for Multi-Image Causal Reasoning

Visual causal reasoning is essential for understanding and intervening in the physical world, requiring identification of causal variables from visual inputs and reasoning over intervention effects. Despite recent progress, large vision–language models (VLMs) remain brittle at such tasks, especially for interventional and counterfactual queries over multi-image inputs. Most existing explorations inject causal knowledge via textual prompts, leaving causal mechanisms external to model execution and limiting reliable control during inference. To address this problem, we propose BridgeVLM, which internalizes visual causal reasoning by inducing a causal graph from multi-image inputs and converting it into structured Causal Tokens executed by RAMP layers injected into the LLM decoder for causal message passing. We further introduce a unified training interface M3S for fine-grained causal supervision from different granularities (local/global level). BridgeVLM achieves 54.4% accuracy on intervention tasks on CausalVLBench (vs. 33.2% with prompt-level supervision), improves results on Causal3D from 43.6% to 49.0%, and substantially improves causal structure learning on CausalVLBench ($F_1$: 33.4% $\rightarrow$ 75.1%).

20.
arXiv (CS.AI) 2026-06-24

HiPath: Hierarchical Vision-Language Alignment for Structured Pathology Report Prediction

arXiv:2603.19957v2 Announce Type: replace-cross Abstract: Pathology reports are structured, multi-granular documents encoding diagnostic conclusions, histological grades, and ancillary test results across one or more anatomical sites; yet existing pathology vision-language models (VLMs) reduce this output to a flat label or free-form text. We present HiPath, a lightweight VLM framework built on frozen UNI2 and Qwen3 backbones that treats structured report prediction as its primary training objective. Three trainable modules totalling 15M parameters address complementary aspects of the problem: a Hierarchical Patch Aggregator (HiPA) for multi-image visual encoding, Hierarchical Contrastive Learning (HiCL) for cross-modal alignment via optimal transport, and Slot-based Masked Diagnosis Prediction (Slot-MDP) for structured diagnosis generation. Trained on 749K real-world Chinese pathology cases from three hospitals, HiPath achieves 68.9% strict and 74.7% clinically acceptable accuracy with a 97.3% safety rate, outperforming all baselines under the same frozen backbone. Cross-hospital evaluation confirms generalisation with only a 3.4pp drop in strict accuracy while maintaining 97.1% safety.

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

TRACE: Trajectory-Routed Causal Memory for Delayed-Evidence Visuomotor Imitation

arXiv:2606.14551v1 Announce Type: cross Abstract: Robots under autonomous operation may require decisions based on evidence that is no longer visible. We study delayed-evidence tasks, where an early cue disappears before a later decision point, so visually similar observations can require different actions. In these settings, the current observation is not a sufficient state for control. We introduce TRAjectory-routed Causal Evidence (TRACE), a memory framework for visuomotor imitation policies. TRACE stores task-relevant visual and robot-state evidence, such as object identity, target choice, or route-dependent state, in a fixed-size latent memory that remains bounded over long episodes. Instead of indexing memory by raw time or manually provided task labels, TRACE uses path signatures: compact, order-sensitive features of the executed robot-state trajectory. These signatures do not store the visual cue itself; rather, they provide trajectory-conditioned keys for writing and retrieving the evidence stored when the cue was visible. When the robot later reaches an ambiguous observation, the policy conditions on TRACE memory to recover the missing context and choose the correct branch. TRACE attaches through lightweight adapters to policies, without changing the policy backbone, action head, or imitation objective. Across real-world long-horizon manipulation tasks with visually ambiguous branch points, TRACE improves branch selection and task success over alternative baselines, including short-history and recurrent memory. Project page: https://jeong-zju.github.io/trace

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

Probabilistic Contrastive Pretraining for Multi-task ADME Property Prediction

arXiv:2606.11508v1 Announce Type: new Abstract: Accurate prediction of absorption, distribution, metabolism, and excretion (ADME) properties is critical to drug discovery, but remains challenging because ADME endpoints are noisy, interdependent, and often data-limited. We propose a molecular graph-transformer pretraining framework that combines chemistry-specific self-supervision with contrastive mutual information machine learning (cMIM). Our method encodes molecular graphs into latent variables, reconstructs SMILES strings from the graph-derived latent codes, and augments the contrastive objective with domain-specific self-supervised chemistry tasks. Rather than treating these tasks as auxiliary regularizers with separately tuned loss weights, we formulate reconstruction, contrastive discrimination, and chemistry-specific supervision as unit-weighted log-probability factors in a single probabilistic latent-variable objective. For fine-tuning, we propose a multi-task GNN readout architecture with task-specific multilayer perceptron heads, preserving shared representation learning while mitigating negative transfer and improving the modeling of heterogeneous, nonlinear task relationships. Across Biogen, ExpansionRX, and ChEMBL-MT, the resulting Contrastive KERMT pretraining improves over the KERMT baseline by 7.6%, 9.9%, and 9.5% respectively (averaged over significantly-improved endpoints). Adding ADME-adjacent molecules to the pretraining corpus further improves transfer, and the contrastive component sharpens chemically meaningful latent neighborhoods.

23.
arXiv (CS.LG) 2026-06-18

Detecting Hidden ML Training With Zero-Overhead Telemetry

arXiv:2606.19262v1 Announce Type: new Abstract: Hardware-enabled monitoring of GPU workloads underpins many proposals for AI compute governance, but if developers can defeat monitoring mechanisms, such schemes are unworkable. We evaluate the adversarial robustness of GPU workload classification using only zero-overhead, privacy-preserving NVML telemetry: content-agnostic signals that observe physical effects of computation without accessing model weights, training data, or hyperparameters. Across 5 rounds of monitor-evader iteration, we evaluate 20 evasion strategy families on 9 GPU models spanning 4 architecture generations. We develop a classifier that achieves 98.2% binary accuracy at identifying training workloads across the whole corpus, and 43-87% accuracy against the most challenging unexpected workloads even when they are adversarially disguised.

24.
arXiv (CS.LG) 2026-06-12

The Metric Picks the Winner: Evaluation Choice Flips Model Rankings for Drug-Response Prediction in Unseen Chemistry

arXiv:2606.12639v1 Announce Type: new Abstract: Predicting how a cell's transcriptome responds to a drug it has never seen is a core, hard problem in computational cell biology: recent benchmarks show complex models often fail to beat trivial baselines once test compounds are held out by chemistry. We study one cell line and assay, THP-1 cells profiled by DRUG-seq, scored by the active-compound weighted MSE(wMSE) of the VCPI prediction contest. We propose a staged approach: dumb baselines (untreated control and mean training-compound response) that the field keeps failing to beat; non-parametric retrieval (a Tanimoto-weighted average of a held-out compound's nearest training compounds); and a fusion stage combining a frozen chemistry embedding with retrieval-support features to predict the residual over the mean, with an uncertainty head and gene programs. On the released VCPI THP-1 drug-seq data (14,026 training compounds), under a Bemis-Murcko scaffold split, the model ranking inverts depending on the metric. Under an inverse-variance per-gene proxy, a regularized linear regression on Morgan fingerprints appears to win over the deep models, retrieval, and ChemBERTa – the textbook "simple baselines win" result. But under the contest's true active-set metric (per-(gene, compound) Mejia weights, validated against the official scorer; mean baseline 0.535 vs the organizers' 0.507 reference), that reverses: the deep models win, our fusion decoder significantly beats the linear fingerprint baseline (-0.012 wMSE, paired bootstrap p < 10^-4), and the proxy's winner becomes the worst chemistry-aware predictor. Picking the metric picks the winner – to our knowledge the first demonstration on real held-out drug chemistry of the metric-calibration effect established largely on genetic perturbation. We release a reproducible pipeline wired to the official scorer that emits a valid submission over the real 1064 x 12,995 grid.

25.
Science (Express) 2026-05-21

Observation of quantum vortex core fractionalization and skyrmion formation in a superconductor | Science

作者: 未知作者

Magnetic fields can penetrate a superconductor in the form of quantum vortices, which consist of a core singularity with circulating currents. London’s quantization implies that there is one core singularity per quantum of magnetic flux in single-component superconductors. Here, we report signatures of quantum vortex core fractionalization on the potassium-terminated surface of a multiband superconductor KFe 2 As 2 . The observed splitting of single integer-flux vortices into several fractional vortices results in a disparity between the numbers of flux quanta and vortex cores. These fractional vortices often arrange in chains, which calculations show are characterized by a ℂP 2 skyrmionic topological invariant; this constitutes a different type of topological defect: the chiral skyrmion. The disparate natures of integer and fractional vortices comprising skyrmions lead to distinct spectroscopic signatures.