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01.
arXiv (quant-ph) 2026-06-19

Universality in Ionic Three-body Systems Near an Ion-atom Feshbach Resonance

arXiv:2511.00325v3 Announce Type: replace-cross Abstract: We calculate bound and scattering properties of a system of two neutral atoms and an ion near an atom-ion Feshbach resonance. Our results indicate that long-range atom-ion interactions lead to significant deviations from universal behavior derived from contact or van der Waals potentials. We find that ionic systems display an overall suppression of inelastic transitions leading to recombination rates and lifetimes of Efimov state orders of magnitude smaller with respect to those for neutral atoms. We further characterize the dense spectra of triatomic molecular ions with extended lifetimes. Our results provide a deeper insight on the universality and structure of three-body ionic systems and establishing them as a promising platform for exploring novel few- and many-body phenomena with long-range interactions.

02.
arXiv (quant-ph) 2026-06-24

Dimensionality Reduction of QAOA Parameter Space with Kernel PCA for Max-Cut

arXiv:2606.23718v1 Announce Type: new Abstract: The Quantum Approximate Optimization Algorithm (QAOA) is a leading variational algorithm for combinatorial optimization on near term quantum devices. As circuit depth increases, the number of optimization parameters grows, making the search landscape increasingly nonlinear and difficult to optimize. Previous studies have shown that optimal QAOA parameters often lie on a low dimensional manifold that can be approximated using Principal Component Analysis (PCA) at shallow circuit depths. However, the effectiveness of PCA decreases at higher depths because the underlying parameter manifold becomes increasingly nonlinear. In this work, we investigate Kernel Principal Component Analysis (KPCA) with a radial basis function kernel as a nonlinear dimensionality reduction technique for QAOA parameter optimization. The model is trained using 200 graphs from each of 3 graph families, namely Erdos-Renyi, Barabasi-Albert, and Watts-Strogatz, with graph sizes ranging from 7 to 10 nodes. Performance is evaluated on 30 test graphs containing 12 nodes at circuit depths 1, 2, 4, and 8. Experimental results demonstrate that KPCA consistently outperforms PCA at deeper circuit depths across all graph families. At depth 8, KPCA achieves approximation ratios above 0.86, while PCA declines to approximately 0.81 to 0.83. Both methods reduce the number of quantum circuit evaluations by more than 93 percent relative to unrestricted QAOA optimization. These findings suggest that nonlinear kernel methods more effectively capture the structure of the QAOA parameter manifold and provide a practical approach for scaling variational quantum optimization to deeper circuits.

03.
bioRxiv (Bioinfo) 2026-06-20

The recount3 Python package for programmatic access to uniformly processed RNA-seq data

The recount3 online resource provides tens of thousands of uniformly processed RNA-seq samples across human and mouse from major sequencing repositories like the Sequence Read Archive. While access to these datasets has traditionally been centered in the R/Bioconductor ecosystem, the growing prominence of Python in bioinformatics and machine learning necessitates native, efficient tooling for Python users. Therefore, we present the recount3 Python package with robust application programming interface (API) and command-line interface (CLI) for discovering, downloading, and materializing recount3 resources. The software orchestrates uniform resource locator (URL) resolution, persistent on-disk caching, and the automatic parsing of data into analysis-ready data structures, including Pandas DataFrames and BiocPy RangedSummarizedExperiment objects. The recount3 Python package drastically lowers the barrier to entry for large-scale utilization of RNA-seq data in Python-based computational pipelines, bridging the gap between massive public transcriptomic data and modern machine learning ecosystems.

04.
arXiv (CS.AI) 2026-06-24

Polycepta: Object-Centric Appearance Estimation for Multi-Object Tracking

arXiv:2606.23604v2 Announce Type: replace-cross Abstract: The tracking-by-detection paradigm in multi-object tracking (MOT) typically relies on static appearance descriptors to complement motion estimation. However, these descriptors are frame-independent, limiting their robustness as visual cues. Since such descriptors are often obtained from computationally intensive pretrained backbones, real-time MOT systems frequently abandon appearance cues altogether and rely solely on motion prediction and geometric association. In this work, we introduce Polycepta, an object-centric appearance state estimation framework that reformulates appearance modeling as a recursive estimation problem rather than a frame-wise matching task. Polycepta constructs and continuously updates an independent appearance state for each tracked object, enabling future appearance representations to be estimated from accumulated observations. Polycepta is encouraged to learn the appearance-state construction of object-specific representations rather than memorize them through a proposed learning strategy, enabling appearance estimation for unseen classes. A key property of Polycepta is that the quality of appearance estimation improves as object states evolve during inference. While conventional appearance descriptors remain static or degrade over time, Polycepta progressively refines appearance estimates as additional observations are accumulated. Extensive experiments on KITTI, the Waymo Open Dataset, and MOT17 demonstrate consistent reductions in identity switches and improvements in tracking performance when integrated into the tracking-by-detection pipelines. Polycepta operates at 90.57 Hz and delivers state-of-the-art performance on the KITTI benchmark when integrated into the RobMOT framework, achieving a MOTA of 92.27\%.

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

Quantum Nonlocal Games on Graph Ensembles

arXiv:2606.16784v1 Announce Type: new Abstract: Quantum entanglement is one of the most striking discoveries in all of science. This effect allows, for instance, two spatially separated agents to coordinate their actions, without communication, to an extent that is both counter-intuitive, and provably impossible by any other physical means. A recently discovered example is that of mobile agents (players) performing spatial coordination tasks such as rendezvous, where the agents aim to meet on a network without communication. Until now, demonstrations of this advantage have relied on highly idealized conditions: agents are assumed to have complete knowledge of the topography, and experiments have been restricted to simulations using data generated by qubits within a single quantum processor. Here we address both limitations by developing a theory for graph ensembles that capture topographical uncertainty and by experimentally demonstrating the advantage in rendezvous scenarios between physically separated ion-trap systems with access to remote entanglement. Moreover, we simulate a broader set of problems on superconducting hardware. Surprisingly, when players are given the ability to gather more local information the quantum advantage increases – a feat impossible by classical means. Our findings establish a concrete route toward practical quantum advantages in motion coordination problems. More broadly, they point to a new way of using portable quantum devices to enhance collective decision-making in uncertain environments.

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

Implicit vs. Explicit Prompting Strategies for LVLMs in Referential Communication

Two recent studies (Jones et al. (2026); Zeng et al. (2026)) reach apparently contradictory conclusions about whether LVLMs can coordinate on efficient referring expressions. We control for task differences between the studies while directly comparing their prompting styles. We replicate the finding that models can coordinate efficient referring expressions when explicitly prompted to do so, suggesting that other task differences are not responsible for divergent results. However, we also find that the same models fail to infer the need for communicative efficiency from a more implicit prompt, highlighting critical differences between how humans and AI systems communicate.

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

Distilling Examples into Task Instructions: Enhanced In-Context Learning for Real-World B2B Conversations

In-context learning (ICL) is the standard method for low-resource classification, yet its efficacy in specialized domains remains largely unexplored. We address the challenge of classifying semantically complex, multi-party B2B conversations, where traditional ICL encounters significant limitations, especially as context length increases due to the concatenation of multiple few-shot examples. We introduce the \texttt{Call Playbook} dataset, featuring five classification tasks derived from real-world B2B conversations targeting core sales concepts. To bridge the gap between performance and practical utility, we propose novel knowledge extraction methods that distill verbose examples into compact, interpretable representations of structured classification criteria and precise task descriptions. Our approach achieves a 99\% reduction in token usage and improves macro-averaged AUC by up to 7\% over traditional ICL. Notably, it remains robust as context grows, unlike advanced token compression baselines which degrade by over 9 F1 points. Importantly, our framework enables direct refinement of classification logic, addressing critical needs for transparency, efficiency, and user interaction in real-world NLP applications.

08.
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.

09.
arXiv (CS.AI) 2026-06-24

On the Position Bias of On-Policy Distillation

arXiv:2606.22600v2 Announce Type: replace-cross Abstract: On-Policy Distillation (OPD) improves the learning efficiency of standard reinforcement learning through dense, token-level supervision from teachers. In the standard KL objective of OPD, token-level losses are uniformly averaged, implying equal weights for all tokens. However, we discover that not all tokens are created equal: as student rollouts grow longer, they deviate further from the teacher's distribution, leading to degraded supervision quality at later positions. As a result, OPD using only the first 30% of tokens can perform comparably to using all tokens, whereas OPD using only the last 30% of tokens barely learns anything. In this work, we provide a principled understanding of this issue through the lens of constrained optimization. Based on these insights, we derive Importance-Weighted On-Policy Distillation (IW-OPD), in which the weight assigned to each token depends on the accumulated discrepancy between the student's and teacher's distributions, naturally upweighting earlier tokens and downweighting later ones with larger deviations. We show that IW-OPD converges significantly faster than OPD, with better learning efficiency, and achieves better final performance than standard OPD in both same-size and cross-scale settings, improving performance up to 6.9 points on AIME-2025.

10.
arXiv (CS.CL) 2026-06-24

NatureBench: Can Coding Agents Match the Published SOTA of Nature-Family Papers?

We introduce NatureBench, a cross-discipline benchmark of 90 tasks distilled from peer-reviewed Nature-family publications, designed to evaluate whether AI coding agents can move beyond reproduction toward discovery on real scientific problems. NatureBench is built on NatureGym, an automated pipeline that constructs a standardized, per-task containerized environment from a source paper, addressing the environment-fragmentation problem that has limited the credibility of prior agent-on-research benchmarks. Evaluating ten frontier agent configurations under a strict web-search-disabled protocol, we find that the strongest model surpasses SOTA on only 17.8% of tasks under the g>0.1 criterion. Analysis of method pathways reveals that agents succeed primarily through methodological translation, converting scientific tasks into familiar supervised prediction problems, rather than through genuine scientific invention. Failures are dominated by wrong method choice and insufficient compute budget, not by task misunderstanding. We release the benchmark, the NatureGym pipeline, and a public leaderboard with maintainer-side reproduction. Code: https://github.com/FrontisAI/NatureBench

11.
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/

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

MemRerank: Preference Memory for Personalized Product Reranking

LLM-based shopping agents increasingly rely on long purchase histories and multi-turn interactions for personalization, yet naively appending raw history to prompts is often ineffective due to noise, length, and relevance mismatch. We propose MemRerank, a preference memory framework that distills user purchase history into concise, query-independent signals for personalized product reranking. To study this problem, we build an end-to-end benchmark and evaluation framework centered on an LLM-based 1-in-5 selection task, which measures both memory quality and downstream reranking utility. We further train the memory extractor with reinforcement learning (RL), using downstream reranking performance as supervision. Experiments with two LLM-based rerankers show that MemRerank consistently outperforms no-memory, raw-history, and off-the-shelf memory baselines, yielding up to +10.61 absolute points in 1-in-5 accuracy. These results suggest that explicit preference memory is a practical and effective building block for personalization in agentic e-commerce systems.

13.
arXiv (CS.AI) 2026-06-24

Synergizing Physically Constrained MCMC and Chemical-Informed Gaussian Processes for Reaction Network Discovery

arXiv:2606.23757v1 Announce Type: cross Abstract: Extracting interpretable governing equations from sparse, noisy chemical time-series data remains difficult because discrete reaction topology and continuous kinetic parameters are tightly coupled. We present PC-MCMC-CIGP, a reproducible gray-box workflow that combines spike-and-slab topology sampling, hard conservation and thermodynamic screening, and a Chemical-Informed Gaussian Process (CIGP) residual model for parameter calibration and experimental design. The methodological contribution is not a new MCMC or GP family in isolation; rather, it is the integration of these components into a physically constrained workflow with explicit uncertainty-aware acquisition choices. On the H2 + Br2 benchmark, the constrained sampler distinguishes elementary radical pathways from deceptive phenomenological fits in our experiments. On styrene epoxidation, the CIGP optimization loop improves final yield by 12.5% over the reported GP-BO baseline. A new 10-seed acquisition study shows that EI, GWU, PC-EI, uncertainty sampling, discrepancy hunting, and random search have different trade-offs: PC-EI substantially reduces low-yield BO suggestions, while EI-style criteria give the strongest final-yield performance.

14.
arXiv (CS.LG) 2026-06-16

Privacy from Symmetry: Orthogonally Equivariant Transformers for LLM Inference

arXiv:2606.16461v1 Announce Type: new Abstract: Running large language models locally is often impractical, pushing inference on sensitive text to third-party providers. Split inference partially mitigates this by keeping tokens on the client and sending only hidden representations, but these representations can still be recovered via nearest-neighbor search against the public embedding table. We propose an orthogonal obfuscation procedure in which the client multiplies embeddings by a secret orthogonal matrix before transmission. To enable correct inference under arbitrary rotations, we introduce ConjFormer, a transformer variant that is exactly $\mathrm{O}(d)$-equivariant via a lightweight normalization change (scalar RMSNorm) together with blockwise orthogonal conjugation of all linear weights. As a result, the server performs the full forward pass entirely in the rotated basis and never observes unrotated hidden states. Experiments on GPT-2 and Llama 3.2 1B models fine-tuned on PubMed show that orthogonal obfuscation eliminates direct cosine nearest-neighbor inversion and reduces token recovery from over 35% top-10 to at most 1.3%, while increasing perplexity by only 0.4% after fine-tuning. These results indicate that enforcing symmetry at the architectural level can provide a practical defense for privacy-preserving LLM inference without noise injection or heavy cryptographic machinery.

15.
medRxiv (Medicine) 2026-06-22

Anterior-superior hypothalamic enlargement as specific marker in episodic migraine: converging evidence from an independent discovery-replication design

Background: Growing evidence implicates the hypothalamus as a key structure in migraine pathophysiology; however, our understanding of its precise role and of the specific nuclei involved remains limited. We combined MRI data from our laboratory with publicly available MRI datasets from OpenNeuro to examine hypothalamic subunit volumes in episodic migraine and assess the specificity of these alterations relative to chronic pain conditions. Methods: Structural MRI combined with an automated atlas-based segmentation algorithm and a discovery-replication design was employed to investigate cross-sectional volumetric differences across 5 bilateral hypothalamic subunits in two independent migraine cohorts: DS1-MIG (DS1-MIG-base, n = 111 patients, n = 35 controls) and DS2-MIG (n = 27 patients, n = 31 controls). The adjusted volumes were compared between groups using MANOVA as an omnibus test, followed by Welch t-tests to test univariate follow-up. Longitudinal volumetric changes were additionally assessed in DS1-MIG participants with available follow-up scans using linear mixed models. To assess the specificity of findings to migraine, the same pipeline was applied to two chronic pain datasets, one including patients with fibromyalgia (DS-FM, n = 33 patients, n = 33 controls) and the other including patients with trigeminal neuralgia (n = 119 patients, n = 55 controls). Results: MANOVA revealed significant multivariate group differences in the discovery and replication migraine cohorts (DS1-MIG-base: = .006; DS2-MIG: = .008). Follow-up univariate analyses identified a consistent enlargement of the left anterior-superior subunit across both cohorts (FDR = .023 in DS1-MIG-base and FDR = .046 in DS2-MIG), representing the only cross-cohort replication finding. Beyond this shared signature, DS2-MIG exhibited additional significant enlargements of the right anterior-inferior and right tubular-inferior subunits. Longitudinal analyses in DS1-MIG showed that hypothalamic subunit volumes remained broadly stable over time within both migraine patients and control participants. No significant volumetric alterations were detected in the fibromyalgia or trigeminal neuralgia cohorts, either in multivariate or univariate analyses, underscoring migraine-specific findings. Conclusions: These findings provide evidence for subunit-specific hypothalamic structural alterations in migraine localized in the left anterior hypothalamic subunit. The stability of these differences over time and their absence in other chronic pain conditions suggest a migraine-specific structural organisation of hypothalamic circuitry.

16.
arXiv (quant-ph) 2026-06-19

A Quantum Encoding of Traveling Salesperson Tours via Route Generation, Cost Phases, and a Reversible Valid-Permutation Oracle

arXiv:2603.21283v3 Announce Type: replace Abstract: For a traveling salesperson problem (TSP) of n cities, we present a compact quantum encoding based on a time-register representation of tours. A candidate route is represented as a sequence of n-1 city labels over discrete time steps, with one fixed start city and the remaining cities encoded in binary registers. We describe three ingredients of the construction: uniform route generation over the route register, a reversible validity oracle, and a phase oracle that encodes the total tour cost. The validity oracle checks both that the non-start city labels form a permutation and, for incomplete graphs, that every directed edge used by the route exists. The cost oracle then accumulates the start-edge, intermediate-transition, and return-edge costs into a tour-dependent phase for valid routes. This yields a coherent superposition of candidate routes with feasibility and tour-length information embedded directly in the quantum state. The complete construction uses O(n log n) qubits, while a naive implementation has worst-case elementary-gate complexity O(n^3 log n). The encoding is compatible with amplitude amplification or spectral filtering techniques such as the quantum singular value transform (QSVT) or Grover's algorithm. However, due to the exponentially small fraction of valid tours, the overall complexity remains exponential even when combined with amplitude amplification.

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

Two Wrongs, No Right: Auditing Social-Desirability Bias in LLM Annotators for Computational Social Science

作者:

LLM annotators are increasingly used in computational social science (CSS), but it is unclear whether their alignment-shaped errors preserve the empirical conclusions a researcher would report. We audit three open-source 7B instruction-tuned models (Zephyr, Mistral-Instruct, Qwen2.5-Instruct) across six TweetEval tasks under four prompt conditions (72 cells) and find that social-desirability failures do not run in a single direction. Zephyr exhibits leniency bias, systematically under-applying harmful labels (offensive language: false benign rate 0.729, false alarm rate 0.031). Mistral and Qwen exhibit overcorrection, over-applying the same labels (Mistral hate-speech FAR = 0.604). All three models exhibit neutrality bias on abortion stance, underestimating opposition prevalence by 24 to 40 percentage points and inflating the neutral label. None of the four prompting interventions we test (neutral, safety framing, depersonalized, chain-of-thought) corrects these failures across models; safety framing can worsen stance distortion. Strikingly, Zephyr's hate-speech prevalence estimate matches the gold rate exactly while its class-conditional errors are large in both directions, an accidental cancellation that misleads aggregate validation. We translate these patterns into a three-part taxonomy with diagnostic FBR/FAR signatures and a lightweight gold-sample validation protocol. The headline for trustworthy CSS: a model that looks calibrated on aggregate metrics can still flip the substantive empirical conclusion a researcher would report.

18.
arXiv (CS.AI) 2026-06-11

KAN-MLP-Mixer: A comprehensive investigation of the usage of Kolmogorov-Arnold Networks (KANs) for improving IMU-based Human Activity Recognition

arXiv:2605.19031v2 Announce Type: replace Abstract: Kolmogorov-Arnold Networks (KANs) have demonstrated an exceptional ability to learn complex functions on clean, low-dimensional data but struggle to maintain performance on noisy and imperfect real-world datasets. In contrast, conventional multi-layer perceptrons (MLPs) are far more tolerant to noise and computationally efficient. Replacing all MLP components with KANs in HAR models often degrades accuracy and computation efficiency, highlighting an open challenge: how to combine KANs' precision with MLPs' noise robustness and efficiency. To address this, we systematically explore various placements of KAN modules within deep HAR networks and propose a hybrid architecture that strategically synergizes the strengths of both paradigms, which uses a KAN-based input embedding layer, retains MLP layers for intermediate feature mixing, and introduces a specialized LarctanKAN module for final activity classification. Across eight public HAR datasets, the hybrid KAN-MLP model achieves an average macro F1 score relative improvement of 5.33\% compared pure-MLP model, significantly outperforming standalone KAN and MLP baselines. Furthermore, integrating this hybrid strategy into other state-of-the-art HAR architectures consistently boosts their performance. Our findings demonstrate that a carefully orchestrated combination of KAN, MLP, or other conventional neural components yields more robust and accurate HAR models for real-world wearable sensing environments.

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

Spectrally Regularized Latent Flow Matching for Turbulence Generation

arXiv:2606.11691v1 Announce Type: new Abstract: Latent diffusion and flow matching have emerged as leading approaches for synthetic turbulence generation, yet they systematically under-represent dissipation-range amplitudes. We introduce a latent flow matching framework with a spectrally regularized compression stage that directly targets this failure mode. On a 256^2 DNS dataset at Re_f \approx 2250, replacing an MSE-trained VAE with a zone-weighted log-spectral objective raises deep-dissipation retained spectral power from 25% to 94% in reconstruction and from 20% to 79% in unconditional generation. The improved latent representation also yields a substantially better sampling cost-fidelity tradeoff: the MSE-trained latent space imposes a fundamental quality ceiling near DD bias -0.70 that no integrator or step-count can overcome, while the spectrally regularized latent space reaches DD bias -0.117 at just 20 function evaluations. Mechanistically, encoder-decoder swap experiments show that the improvement is driven primarily by encoder-induced latent reorganization rather than decoder capacity, while a support-amplitude decomposition reveals that MSE-trained models behave as conservative suppression models, minimizing pointwise error by attenuating intermittent high-wavenumber structure. Both pipelines recover the second-order structure function and the correct sign of S_3, indicating the correct cascade direction without explicit supervision. A small residual gap in the magnitude of S_3 suggests that phase-coherent triadic organization remains a complementary axis to amplitude fidelity for future generative turbulence models.

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.LG) 2026-06-17

Domain-Validity-Gated Metamorphic Testing of Scientific ML Surrogates

arXiv:2606.17529v1 Announce Type: cross Abstract: Scientific machine-learning (SciML) surrogates approximate expensive simulations, but exact expected outputs for arbitrary inputs are unavailable (the oracle problem). Metamorphic testing checks relations across executions, yet a candidate relation is not automatically valid: its preconditions, output mapping, and the numerical floor of the scoring operator determine whether a violation is meaningful. We study how candidate metamorphic relations (MRs) can be screened for domain validity and turned into executable, oracle-free test assets for SciML surrogates. We propose (i) a domain-validity rubric that admits a candidate only when its tolerance dominates the operator's numerical floor and its preconditions hold; (ii) an MR-card executable-asset format recording source cases, transformations, metrics, tolerances, and typed relation-level verdicts; and (iii) a case-study protocol on MeshGraphNets cylinder-flow surrogates, with a claim ledger binding every result to a tracked artifact. On a MeshGraphNets checkpoint, node permutation holds to machine precision, mirror-y is a bounded out-of-distribution stress finding rather than an exact symmetry, and absolute conservation stays deferred while a reference-relative guard passes. The same readings hold across held-out trajectories, a checkpoint roster, three further architectures, and PhysicsNeMo. On a second CFD task (compressible airfoil) the predicate instead rejects incompressible continuity on physical grounds, showing it reasons about domain validity rather than running a fixed checklist. On a second PDE family, FNO Burgers and heat surrogates run full admit/reject/execute verdicts. The evidence spans two CFD tasks and a second PDE family, supporting a validity-aware bridge from candidate MRs to auditable SciML test assets that separates model-level violations from out-of-domain applications.

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

ISE: An Execution-Grounded Recipe for Multi-Turn OS-Agent Trajectories

Training capable OS agents requires data that simultaneously captures structured user intents, multi-turn task delegation, and grounded tool execution–properties absent from existing datasets. We propose ISE (Intent -> Simulate -> Execute), a three-stage synthesis paradigm that addresses these gaps jointly. Stage 1 constructs roughly 50000 structured intents via a 4D framework (Persona x Domain x Task x Complexity); after deduplication the pool contains 43956 unique intents and attains a Vendi Score of 61.57 over the entire pool on mpnet-base-v2 embeddings (cosine kernel, q=1). Stage 2 drives multi-turn user-agent interaction through a role-locked user simulator that grounds each user turn in actual execution outcomes, producing 23132 complete trajectories averaging 8.12 user turns and 68.24 total dialogue turns. Stage 3 runs every tool call inside a live, isolated OS workspace, generating authentic failure-recovery dynamics instead of simulated responses. Fine-tuning on ISETrace improves ClawEval pass@1 from 19.3 to 37.7 using Qwen3-8B on agent tool-use tasks with a standard protocol. This result outperforms zero-shot GPT-4o and the larger Qwen3-32B base model which is four times bigger. An ablation on Stage 2 proves multi-turn simulation brings a large portion of the performance gain. We release all source code and dataset at https://github.com/Valiere01/ISE-Trace.

23.
arXiv (CS.AI) 2026-06-17

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

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

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

TechRAG: Evidence-Gated Multimodal Agentic RAG for Technical Literature Reasoning

arXiv:2606.01613v2 Announce Type: replace-cross Abstract: This paper presents an agentic multimodal retrieval-augmented generation (RAG) framework for domain-specific literature reasoning, instantiated on a curated corpus of several thousand papers in intelligent tires, vehicle dynamics, vehicle control, sensing, estimation, and machine learning. Unlike conventional single-pass RAG systems, the proposed architecture uses an autonomous, evidence-gated pipeline that classifies query intent, generates separate text and visual query rewrites, performs hybrid text retrieval with FAISS and BM25 followed by cross-encoder reranking, expands evidence through graph-guided chunk traversal over a Neo4j knowledge graph, and retrieves visual document evidence using ColSmol late-interaction embeddings with MUVERA fixed-dimensional encoding, approximate nearest-neighbor search, and MaxSim reranking. The framework scores evidence sufficiency using a 100-point rubric with hybrid rule-based/LLM review, retries retrieval through drift-guarded reformulation, searches external academic databases through optimize–search–vet loops, merges and deduplicates multimodal evidence, verifies citation integrity, and generates cited answers through Planner, Researcher, Writer, and Critic agents with self-correcting revision. Key contributions include: (i) a scalable multimodal retrieval architecture combining text, graph, and visual evidence over 40,000 document pages; (ii) an interpretable evidence sufficiency and retry mechanism; (iii) a multi-agent generation pipeline with evidence mapping and critic-driven revision; (iv) a domain knowledge graph with LLM-based entity extraction, OpenAlex author validation, and intra-corpus citation resolution; and (v) a route-dependent external search architecture for targeted literature expansion. The result is a practical, evidence-gated, multimodal agentic RAG architecture for technical reasoning over specialized research corpora.

25.
arXiv (CS.CV) 2026-06-11

Adapting Prithvi-EO for Fallow Detection for Food-Water Nexus: ViT-Adapter Necks and Parameter-Efficient Backbone tuning of Geospatial Foundation Model

Understanding spatial distribution of fallow land is important for optimizing the food-water (FW) nexus, given fallowing's role in crop rotation and water conservation. Fallow is a low accuracy class in USDA Cropland Data Layer (CDL). Geospatial foundation model (GFM), Prithvi-EO has shown strong transferability across computer vision tasks. However, its Vision Transformer (ViT) backbone produces features at a single spatial scale that are ill-suited for the multi-scale features required by object detection heads. Existing approaches synthesise multi-scale pyramids through scaling of single stride tokens, sacrificing spatial heterogeneity, and full backbone fine-tuning is computationally prohibitive for GFMs. We evaluate a fallow detection pipeline combining two parameter-efficient fine tuning (PEFT) schemes: Low-Rank Adaptation (LoRA) and a hybrid PEFT, with three neck designs: pseudo multi-scale, Lite ViT-Adapter, and Full ViT-Adapter. Our best configuration, Lite ViT-Adapter with a one-stage head, achieves a mAP@50 of 0.9479 with the Diou loss, suggesting the effectiveness of center-aware localization for irregular fallow field detection. ViT-Adapter free one-stage detection under LoRA improves the adapter-free anchor-based approach by 6.42%, and the best configuration improves baseline adapter-free anchor-based approach by 25.70%. These results demonstrate that lightweight spatial prior fusion and selective backbone unfreezing enable Prithvi-EO to capture local fallow patterns more effectively, outperforming approaches that rely on reshaped single-stride ViT tokens.