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01.
arXiv (CS.AI) 2026-06-17

Multiple cyclicity and Wavelet Decomposition with Channel Correlation for Long-term Time Series Forecasting

arXiv:2606.17996v1 Announce Type: cross Abstract: Cyclicity and trend are important components of time series data and many studies based on cyclicity and trend have achieved good results in long-term time series forecasting. However, we believe that current work neglects the influence of real-world inter-channel correlations in time series data which leads to suboptimal predictions. Furthermore, these models rely on complex designs to capture diverse information so that resulting in low computational efficiency. To address this challenge, we propose McWC, a long-term time series forecasting model that separately models the cyclicity, trend, and inter-channel correlations. Specifically, McWC first decouples cyclical information from data using a multi-layer cyclicity construction module. Then, it extracts inter-channel correlations using multi-layer perceptron. Next, it models and fuses the multi-layer high-frequency and low-frequency information from data using a multi-level wavelet decomposition module. Finally, it aggregates the results of different components to obtain the output. Simultaneously, we decouple intra-channel autocorrelations by calculating a loss function in the frequency domain. Experiments on six real-world datasets demonstrate that McWC achieves state-of-the-art performance, exhibiting excellent computational efficiency and historical information extraction capabilities.

02.
bioRxiv (Bioinfo) 2026-06-12

ProMiSE: Protein Multi-State Evaluation Benchmark in Biological Contexts

Proteins are inherently dynamic, with biological functions often emerging from transitions between multiple conformational states. While recent breakthroughs have largely addressed the static structure prediction problem, no systematic benchmark exists to demonstrate how well current models capture functionally relevant dynamics. We introduce ProMiSE, the first benchmark that provides both a dataset and an evaluation scheme, based on native biological assemblies and integrating major conformational change mechanisms - intrinsic, ligand-induced, and protein-induced - within a single curated dataset. We conducted a comprehensive evaluation of state-of-the-art structure prediction models, including AlphaFold3 and recent generative approaches. Our findings reveal that current models exhibit a limited ability to sample intrinsic multi-states and are often insensitive to biological context in induced scenarios. Internal representation analysis suggests that training-data exposure can shift predictions toward dominant conformational states over alternative biologically relevant states, primarily at the structure module. In contrast, results from BioEmu indicate that reducing decoding-stage bias can substantially improve multi-state sampling without major changes to upstream pair representations.

03.
arXiv (CS.LG) 2026-06-19

Closing the Social-Semantic Gap: SPSD for Edge-Based Prompt Compression in Cloud LLM Inference

arXiv:2606.19364v1 Announce Type: new Abstract: The prefill stage of Large Language Model (LLM) inference is a growing contributor to cloud-scale energy cost. Many consumer-support and conversational prompts contain social scaffolding: politeness markers, apologetic preamble, repetition, and rapport-building language that is important for human communication but carries low marginal information for machine reasoning. We call this discrepancy the Social-Semantic Gap. We present SPSD (Sentiment Preserving Semantic Distillation), an edge-based pipeline that compresses user prompts using a 4-bit quantised Small Language Model before transmission to a cloud-deployed LLM. Evaluation on a 248-prompt corpus using Gemma-2-2B-Instruct (Q4_K_M) as the SLM and Llama-3.1-8B-Instruct as the cloud evaluation model yields a mean input token saving of 99.9 tokens per distilled call, with all 146 distilled calls yielding positive savings. Response quality, assessed by blind LLM-as-judge scoring across 121 pairs, is non-inferior to the raw path within a pre-specified 1-point margin on a 15-point rubric; the judge awarded 43 percent ties, 28 percent distilled wins, and 29 percent raw wins. Cosine similarity is mixed: mean 0.682, median 0.712, with 54.1 percent of pairs above the 0.70 reference threshold. Safety-critical domains are conservatively routed to passthrough via rule-based gates. Per-call net energy saving is estimated at 70-270 uWh under stated assumptions. SPSD shows that on-device prompt distillation can reduce cloud LLM input-token cost while preserving response quality within a practical non-inferiority margin.

04.
arXiv (CS.CV) 2026-06-16

Lightweight Distillation of SAM 3 and DINOv3 for Edge-Deployable Individual-Level Livestock Monitoring and Longitudinal Visual Analytics

Foundation-model pipelines for individual-level livestock monitoring – combining open-vocabulary detection, promptable video segmentation, and self-supervised visual embeddings – have raised the accuracy ceiling of precision livestock farming (PLF), but their GPU memory budgets exceed the envelope of commodity edge accelerators. To close this gap, the 446M-parameter Perception Encoder (PE-ViT-L+) backbone of SAM 3 is distilled into a 40.66M-parameter multi-scale student through three mechanisms: a Feature Pyramid Network student encoder built on TinyViT-21M-512, a four-term direction-then-scale distillation loss, and backbone-substitution inference with sliding-window session pruning that bounds streaming GPU memory growth. The DINOv3 family includes a pre-distilled ViT-S/16 variant (21.6M parameters) released alongside a 6716M-parameter ViT-7B teacher; the ViT-S (21M) variant is adopted as the per-individual embedder. On the Edinburgh Pig dataset, the compressed pipeline reaches 92.29% MOTA and 96.15% IDF1 against the SAM 3 teacher (1.68- and 0.84-percentage-point losses), achieves a 7.77-fold reduction in system-level parameters and a 3.01-fold reduction in peak VRAM (19.52GB -> 6.49GB), and reaches 97.34% top-1 accuracy with 91.67% macro-F1 on nine-class pig behaviour classification. The pipeline fits inside an NVIDIA Jetson Orin NX 16GB envelope with 4.9GB of headroom, supporting a proposed – but not yet empirically validated – on-device embedding-pool re-identification mechanism whose per-individual footprint of approximately 94MB per animal per year produces a longitudinal visual record amenable to retrospective association with disease, lameness, reproductive, and growth outcome labels.

05.
bioRxiv (Bioinfo) 2026-06-13

MoE-Bind: Guiding De Novo Protein Binder Generation with Sparse Experts

作者:

De novo protein binder design has been dominated by structure-based pipelines that require known three-dimensional target conformations and consume substantial compute and generation time per design, limiting their throughput and accessibility for routine large-scale binder exploration. Sequence-only generative models promise a faster and lighter alternative, yet existing systems remain uniformly dense and frequently reintroduce structural computation at inference, undermining the core advantages they were intended to deliver. Across the broader language modelling community, transformers have meanwhile transitioned from fully dense designs to sparse Mixture-of-Experts architectures that decouple capacity from per-token compute, a shift that has yet to reach sequence-only protein binder generation. We present MoE-Bind, an autoregressive protein binder generator that, for the first time in this domain, combines Multi-head Latent Attention with a sparse Mixture-of-Experts feed-forward network and is evaluated under two independent structure predictors, Boltz-2 and AlphaFold2-Multimer. Despite activating less than half the per-token parameters of compute-matched dense baselines, MoE-Bind matches or exceeds them on full-length receptor-conditioned binder generation on a leakage-free Docking Benchmark 5.0 evaluation, transfers without peptide-specific training to short-peptide design, and reduces training and inference compute by a large margin. Routing analysis on generated binders reveals interpretable expert specialization at both the individual amino acid and biochemical group level, a structured expert-token alignment not previously reported for natural-language MoE models. These results show that sparse architectural design, rather than scale, can deliver fast, structure-free, and interpretable protein binder generation.

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

Towards Conditional Feature Alignment for Cross-Domain Counting

Object counting models often degrade under cross-domain deployment because density composition varies across domains and is itself task-relevant. Standard feature alignment methods tend to suppress such variation by encouraging global domain invariance, which can be harmful when source and target domains contain different proportions of background, sparse foreground, and dense foreground. We propose Conditional Feature Alignment (CFA), a cross-domain counting framework that aligns representations within label-induced conditions rather than across full marginal feature distributions. Given density annotations or pseudo-density predictions, CFA constructs foreground/background or density-level conditions and aligns only features belonging to matching conditions. We formalise this idea through a conditional divergence perspective, showing that conditional alignment removes within-condition discrepancy while preserving condition-marginal density shift. For unsupervised domain adaptation, CFA estimates source conditions from annotations and target conditions from detached pseudo-density maps, then performs condition-wise adversarial alignment with full-image consistency regularisation. For source-domain generalisation, we instantiate the same principle with MPCount by enforcing condition-wise memory-consistency between generated source-domain views. Experiments on crowd and cell counting benchmarks show competitive or improved performance across diverse UDA and DG settings. For example, on JHU-CROWD++ FH$\rightarrow$SN, CFA-DG reduces MAE/RMSE from MPCount's 216.3/421.4 to 90.5/169.9, indicating that condition-wise alignment is especially effective under large weather- and density-induced shifts. These results suggest that condition-wise alignment is a promising design principle for domain-adaptive counting.

07.
arXiv (CS.LG) 2026-06-18

Latent-Conditioned Parameterized Quantum Circuits as Universal Approximators for Distributions over Quantum States

arXiv:2605.28690v3 Announce Type: replace-cross Abstract: Many applications in quantum simulation, quantum chemistry, and quantum machine learning require not a single quantum state but an ensemble of states characterizing the heterogeneity of a target system. Preparing such ensembles state-by-state is prohibitive in both variational and fault-tolerant settings, thereby motivating a generative modeling approach. We introduce latent-conditioned parameterized quantum circuits (LPQCs), a hybrid quantum-classical framework in which classical neural networks map a latent variable sampled from a prior distribution to the parameters of a parameterized quantum circuit. We prove that LPQCs are universal approximators for probability measures over density operators in the 1-Wasserstein distance, extending classical universal approximation theorems to the quantum-distribution setting. We additionally introduce a multimodal latent prior and a mixture-of-experts circuit architecture, and show empirically that the latent-conditioned parameterization alleviates the barren plateau problem during optimization, a behavior for which we provide rigorous partial guarantees. Numerical experiments validate the framework on a synthetic multi-cluster ensemble of mixed quantum states and on a QM9-derived ensemble of 3-D molecular structures. In these tasks, LPQC outperforms recent quantum generative baselines and matches the generation quality of a classical neural-network baseline, while requiring an output dimension that grows only linearly with the number of qubits rather than exponentially. By leveraging classical expressivity in the latent space, LPQCs offer a tractable route to quantum generative modeling.

08.
arXiv (CS.CV) 2026-06-18

Spiking Pyramid Wavelet Transformation for High-efficient and Low-energy Image Restoration

Spiking neural networks (SNNs) have garnered significant interest in computer vision due to their potential for efficiency and biological inspiration. While spiking CNN-based methods have shown promise for image restoration (IR) tasks, their performance is constrained by the inherent receptive field limitations of CNN operations. In the paper, we explore the benefits of discrete wavelet transformation and propose a spiking pyramid wavelet-based model (SPWM) for high-efficient and low-energy target. Specifically, we develop a spiking dual pyramid wavelet (SDPW) block to model long-range dependency and exploit the properties of the degradation in the wavelet domain. Experimental results on several benchmarks demonstrate that SPWM significantly lowers computational costs and energy consumption while maintaining image quality. Our method showcases the potential of SNNs in the field of IR, offering new insights for future applications of resource-limited devices.

09.
arXiv (CS.CL) 2026-06-18

Learning Robust Pair Confidence for Multimodal Emotion-Cause Pair Extraction

Multimodal emotion-cause pair extraction (MECPE) requires reliable pair confidence over candidate pairs. Existing pair scorers commonly use pair-level cross entropy over valid candidates, which treats links mostly independently. This leaves the relative confidence geometry among competing causes under-constrained, allowing gold pairs to stay close to hard negatives or rely on incidental non-gold context. We study this vulnerability as pair-confidence brittleness and propose RPCL (Robust Pair Confidence Learning), a training-only framework for pair-confidence learning. RPCL encourages pair confidence to be both discriminative and stable: gold pairs are separated from row-wise hard negatives through a confidence-difference margin constraint, and clean pair predictions are aligned with predictions from a corrupted view where non-gold contextual utterance representations are partially corrupted. The original clean pair scorer and decoding pipeline are used unchanged at inference time. On ECF, MECAD, and MEC4, RPCL improves the three-seed mean Pair F1 over a matched base model by 2.58 to 2.83 percentage points in the full text-audio-video setting, and improves mean Pair AUPRC on all three datasets. Diagnostic analysis further shows larger gold-negative confidence gaps and lower margin-violation severity. These results suggest that explicitly shaping pair confidence is an effective training strategy for MECPE.

10.
arXiv (CS.CL) 2026-06-11

ResearchClawBench: A Benchmark for End-to-End Autonomous Scientific Research

AI coding agents are increasingly used for scientific work, but their end-to-end autonomous research capability remains difficult to verify. We present ResearchClawBench, a benchmark for evaluating autonomous scientific research across 40 tasks from 10 scientific domains. Each task is grounded in a real published paper, provides related literature and raw data, and hides the target paper during evaluation. Expert-curated multimodal rubrics decompose the target scientific artifacts into weighted criteria, enabling evaluation of target-paper-level re-discovery while leaving room for new discovery. We evaluate seven autonomous research (auto-research) agents under a unified protocol and seventeen native LLMs through the lightweight ResearchHarness. Current systems remain far from reliable re-discovery: the strongest autonomous agent, Claude Code, averages 21.5, and the strongest ResearchHarness LLM, Claude-Opus-4.7, averages 20.7, with an LLM frontier mean of only 26.5. Error analysis shows that failures concentrate in experimental protocol mismatch, evidence mismatch, and missing scientific core. ResearchClawBench provides a reproducible evaluation frontier for measuring progress toward autonomous scientific research.

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

AI Sandboxes: A Threat Model, Taxonomy, and Measurement Framework

arXiv:2606.18532v1 Announce Type: cross Abstract: AI systems are increasingly evaluated in bounded environments that combine isolation, simulation, instrumentation, supervision, and evidence capture. For physical AI, AIoT, and cyber-physical systems, this shift is not a matter of terminology: the system under test may sense, decide, actuate, communicate, and fail through physical processes, networked devices, and human operators. This article develops an assurance-oriented account of AI sandboxes as controlled environments for testing, evaluation, verification, and validation across digital AI, embodied autonomy, and cyber-physical deployments. We formalize the sandbox boundary and a weakest-link rule for composing per-dimension evidence into a bounded deployment claim; separate major sandbox archetypes; define a cyber-physical threat model that includes attacks on the assurance apparatus itself; and introduce a measurement framework spanning fidelity, controllability, observability, containment, reproducibility, and governance artifacts, instantiated on three worked case studies of real sandboxes. The resulting threat model, taxonomy, and measurement framework clarify what a sandbox can validly test, which risks it can contain, and what forms of evidence it can support for safety, security, and regulatory assurance.

12.
arXiv (math.PR) 2026-06-12

Sticky CIR process with potential: invariant measure and exact sampling

arXiv:2605.13648v4 Announce Type: replace Abstract: We study the sticky Cox–Ingersoll–Ross (CIR) process in one dimension, a diffusion on $[0,\infty)$ with a sticky boundary condition at the origin, arising as the marginal process in a sparse Bayesian inference framework based on Hadamard–Langevin dynamics. For the parameter range $\delta\in(1,2)$, in which the origin is accessible but not absorbing, we prove well-posedness of the process and uniqueness of its invariant measure, which is a mixture of a point mass at zero and a weighted gamma-type density on the interior. We derive an explicit Green's function for the resolvent in terms of confluent hypergeometric functions, and use this to construct an exact sampler for the invariant measure in the zero-potential case. For a non-trivial potential $G$, we establish existence and uniqueness of the tilted invariant measure via a Girsanov change of measure, and develop two sampling algorithms: a Metropolis–Hastings corrected sampler that targets the invariant measure exactly, and a cheaper, biased unadjusted Langevin algorithm (ULA) for a boundary-clamped variant of which we prove a first-order expansion of the stationary bias with an explicit constant: the leading error is a rank-one transfer of mass $K_\star h|\log h| $ onto the atom, so the total-variation bias is of exact order $h|\log h | $ – independent of $\delta$ – whenever the potential has nonzero boundary drift. Numerical experiments confirm the predicted behaviour: the Metropolis–Hastings sampler achieves the target invariant measure at all step sizes, while the ULA bias follows the proven first-order law, including its constant.

13.
arXiv (CS.AI) 2026-06-17

Combating Data Laundering in LLM Training

arXiv:2604.01904v3 Announce Type: replace-cross Abstract: Post-hoc unauthorized-training data detection for large language models (LLMs) typically assumes a query-with-originals regime: rights holders query a target LLM with raw proprietary data and assess whether the model assigns them stronger memorization-based detection signals, e.g., higher confidence or lower loss, than held-out non-training reference texts. We show that this regime becomes brittle under data laundering, where the target LLM is trained on semantics-preserving but stylistically or structurally transformed surrogates of proprietary data to obfuscate provenance. Since training-time exposure occurs in the laundered form, memorization signals may no longer appear on the originals, collapsing the candidate-reference signal separation that standard detectors rely on. We counter this threat by studying laundering-aware detection with raw proprietary data, a held-out reference corpus, and query access to the target LLM, while the laundering transformation is undisclosed. Since exact recovery of the laundered corpus is infeasible, we infer a detection-useful synthesis process via an auxiliary LLM that maps originals into training-like queries. To make this search tractable, we introduce Synthesis Data Reversion (SDR), which constrains the unbounded space of natural-language transformations through a goal-details abstraction: a high-level transformation goal, e.g., "lyrical rewriting", and fine-grained details, e.g., "with vivid imagery". SDR identifies the most likely goal and iteratively refines details so synthesized queries elicit stronger target-model detection signals. Evaluated on the MIMIR benchmark against diverse laundering practices and target LLM families (Pythia, Llama2, and Falcon), SDR consistently restores detection signals, offering a practical auditing layer against data laundering.

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

XAI-Grounded Explanation Generation for Speech Deepfake Detection with Training-Free Multimodal Large Language Models

Speech deepfake detection (SDD) systems require trustworthy explanations for reliable decision-making. Existing explanation ways mainly fall into two categories. Traditional explainable AI (XAI), such as gradient-based attribution, produces low-level attribution signals tightly coupled with model decisions, and harder to be understood by human than natural language explanations. Meanwhile, large language model (LLM)-based explanation generation often produces generic and ungrounded descriptions due to the lack of heuristic evidence and task-specific supervision, stemming from limited grounded explanation datasets for SDD. We therefore propose a training-free explanation framework that integrates XAI evidence with multimodal LLMs to generate grounded and specific explanations. Using the PartialSpoof dataset, we construct a grounded explanation dataset and show that methods with XAI increase inside accuracy by over 45\%, verified through human evaluation and faithfulness checks.

15.
arXiv (quant-ph) 2026-06-16

Readout-Induced Leakage in Superconducting Circuits with Nonlinear Couplings

arXiv:2606.16055v1 Announce Type: new Abstract: In superconducting circuits, drive-induced unwanted transitions limit the readout power, thereby constraining readout speed and fidelity. When such transitions excite the qubit into leakage states, they produce correlated errors that are particularly harmful for quantum error correction. Native nonlinear qubit-readout resonator coupling is a promising alternative to conventional linear hybridization because it provides intrinsic Purcell protection and stricter selection rules for multiphoton processes. In realistic devices, however, we show that such a coupling alone neither eliminates nor necessarily suppresses drive-induced transitions. Instead, if not appropriately engineered, these couplings often worsen the situation by introducing additional parasitic processes. Moreover, the rates of these unwanted transitions remain sensitive to the choice of readout frequency, regardless of the coupling mechanism. We demonstrate that readout-induced leakage can thus vary by orders of magnitude even when readout frequencies differ by less than ~7%. Our results establish that the benefits of native nonlinear couplings are realized only through informed device design, including the spectral placement of relevant auxiliary modes and elimination of parasitic ones.

16.
arXiv (CS.AI) 2026-06-18

Guava: An Effective and Universal Harness for Embodied Manipulation

arXiv:2606.18363v1 Announce Type: cross Abstract: Language models trained on large-scale vision-language data have demonstrated strong potential for embodied agents. Harnessing models through embodied tools use offers a promising alternative to end-to-end vision-language-action systems by combining high-level reasoning with external modules for perception, planning, and control. However, it remains unclear what makes an effective harness for embodied manipulation, and to what extent such a harness can unlock embodied capabilities in a wide range of reasoning models. In this work, we present Guava, a harness framework for embodied tool use developed through systematic exploration of the design space of agent workflows, action spaces, and observation spaces. Our study identifies three key ingredients for effective embodied agents: iterative perception-reasoning-action loops, semantic action abstractions, and multimodal observations. To understand whether these design principles are universal even to small models, we develop an end-to-end training pipeline that distills embodied manipulation capabilities into a 4B open-source model using fewer than 2K trajectories collected entirely in simulation. Experimental results in both simulation and real-world environments show performance comparable to frontier proprietary models while exhibiting strong generalization to unseen objects, novel instructions, and long-horizon tasks. Results suggest that a well-designed harness can serve as a scalable, model-agnostic interface for embodied manipulation, enabling strong emergent embodied capabilities in compact open-source models with minimal training data.

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

Hamiltonian description of nonreciprocal interactions

arXiv:2505.05246v5 Announce Type: replace-cross Abstract: In a vast class of systems, which includes members as diverse as sedimenting particles and bird flocks, interactions do not stem from a potential, and are in general nonreciprocal. Thus, it is not possible to define a conventional energy function, nor to use analytical or numerical tools that rely on it. Here, we overcome these limitations by constructing a Hamiltonian that includes auxiliary degrees of freedom; when subject to a constraint, this Hamiltonian yields the original nonreciprocal dynamics. We show that Glauber dynamics based on the constrained Hamiltonian reproduce both stationary and nonstationary states of the original Langevin dynamics, as we explicitly illustrate for dissipative XY spins with vision-cone interactions. Further, the symplectic structure inherent to our construction enables us to apply the well-developed notions of Hamiltonian engineering, which we demonstrate by varying the amplitude of a periodic drive to tune the spin interactions between those of a square and a chain lattice geometry. Overall, our framework for generic nonreciprocal pairwise interactions paves the way for bringing to bear the full conceptual and methodological power of conventional statistical mechanics and Hamiltonian dynamics to nonreciprocal systems.

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

Ultrafast On-chip Online Learning via Spline Locality in Kolmogorov-Arnold Networks

arXiv:2602.02056v3 Announce Type: replace-cross Abstract: Ultrafast online learning is essential for high-frequency systems, such as controls for quantum computing and nuclear fusion, where adaptation must occur on sub-microsecond timescales. Meeting these requirements demands low-latency, fixed-precision computation under strict memory constraints, a regime in which conventional Multi-Layer Perceptrons (MLPs) are both inefficient and numerically unstable. We identify key properties of Kolmogorov-Arnold Networks (KANs) that align with these constraints. Specifically, we show that: (i) KAN updates exploiting B-spline locality are sparse, enabling superior on-chip resource scaling, and (ii) KANs are inherently robust to fixed-point quantization. By implementing fixed-point online training on Field-Programmable Gate Arrays (FPGAs), a representative platform for on-chip computation, we demonstrate that KAN-based online learners are significantly more efficient and expressive than MLPs across a range of low-latency and resource-constrained tasks. To our knowledge, this work is the first to demonstrate model-free online learning at sub-microsecond latencies.

19.
arXiv (CS.CL) 2026-06-18

Improve Large Language Model Systems with User Logs

Scaling training data and model parameters has long driven progress in large language models (LLMs), but this paradigm is increasingly constrained by the scarcity of high-quality data and diminishing returns from rising computational costs. As a result, recent work is increasing the focus on continual learning from real-world deployment, where user interaction logs provide a rich source of authentic human feedback and procedural knowledge. However, learning from user logs is challenging due to their unstructured and noisy nature. Vanilla LLM systems often struggle to distinguish useful feedback signals from noisy user behavior, and the disparity between user log collection and model optimization (e.g., the off-policy optimization problem) further strengthens the problem. To this end, we propose UNO (User log-driveN Optimization), a unified framework for improving LLM systems (LLMsys) with user logs. UNO first distills logs into semi-structured rules and preference pairs, then employs query-and-feedback-driven clustering to manage data heterogeneity, and finally quantifies the cognitive gap between the model's prior knowledge and the log data. This assessment guides the LLMsys to adaptively filter out noisy feedback and construct different modules for primary and reflective experiences extracted from user logs, thereby improving future responses. Extensive experiments show that UNO achieves state-of-the-art effectiveness and efficiency, significantly outperforming Retrieval Augmented Generation (RAG) and memory-based baselines. We have open-sourced our code at https://github.com/bebr2/UNO .

20.
arXiv (CS.LG) 2026-06-12

Where Computation Lives Inside TabPFN: Causal Localisation of Attention Head Function

arXiv:2606.12917v1 Announce Type: new Abstract: We present the first causal mechanistic analysis of a tabular foundation model, investigating how TabPFN 2.5's feature wise attention heads distribute computation across layers. Using activation patching, ablation, and attention entropy across two synthetic regression datasets, we find clear temporal specialisation: one head's causal necessity dominates that of the others by 2 to 5 times at peak layer, with its dominant layer shifting across tasks of different complexity, while the remaining heads exhibit symmetric late layer profiles. Attention entropy and patching provide convergent evidence for the computationally active layers of the dominant head. We additionally investigate inference time steerability via contrastive activation steering, which fails to transfer across samples. We attribute this result to TabPFN's in context learning mechanism, which encodes task structure through context dependent attention rather than the stable parametric directions that make steering tractable in language models.

21.
arXiv (quant-ph) 2026-06-16

Generative modelling powered by room-temperature polariton condensates

arXiv:2606.15344v1 Announce Type: cross Abstract: Generative modelling requires efficient stochastic nonlinear transformations and physical platforms that can naturally realise them. We experimentally demonstrate that nonlinear optical systems operating in the strong light-matter coupling regime can serve as physical transformation layers for conditional generative modelling. Specifically, we develop a workflow in which room-temperature exciton-polariton condensates formed in organic dye microcavities act as a physical stochastic transform within a generative adversarial network and enable conditional digit-to-image translation. By using the nonlinear many-body dynamics and intrinsic stochasticity of polariton condensates, the workflow outperforms baseline approaches based on digitally injected perturbations. We find that polariton-enabled sampling via generative adversarial network (Polariton GAN) yields improved inception score, digit preservation accuracy and structural similarity compared with both digital sampling and laser-based systems. We further show that spatially correlated output variations can naturally regularise adversarial training and enhance output diversity. Our results establish polariton condensation as a new computational resource for generative modelling, opening a pathway towards physics-enhanced machine learning systems.

22.
arXiv (CS.AI) 2026-06-16

Protein Design with Agent Rosetta: A Case Study for Specialized Scientific Agents

arXiv:2603.15952v2 Announce Type: replace Abstract: Large language models (LLMs) are capable of emulating reasoning and using tools, creating opportunities for autonomous agents that execute complex scientific tasks. Protein design provides a natural testbed: although machine learning (ML) methods achieve strong results, these are largely restricted to canonical amino acids and narrow objectives, leaving unfilled need for a generalist tool for broad design pipelines. We introduce Agent Rosetta, an LLM agent paired with a structured environment for operating Rosetta, the leading physics-based heteropolymer design software, capable of modeling non-canonical building blocks and geometries. Agent Rosetta iteratively refines designs to achieve user-defined objectives, combining LLM reasoning with Rosetta's generality. We evaluate Agent Rosetta on design with canonical amino acids, matching specialized models and expert baselines, and with non-canonical residues – where ML approaches fail – achieving comparable performance. Critically, prompt engineering alone often fails to generate Rosetta actions, demonstrating that environment design is essential for integrating LLM agents with specialized software. Our results show that properly designed environments enable LLM agents to make scientific software accessible while matching specialized tools and human experts.

23.
bioRxiv (Bioinfo) 2026-06-19

FeatureMSEA: Metabolic Feature-based Metabolite Set Enrichment Analysis

Liquid chromatography-mass spectrometry (LC-MS) untargeted metabolomics detects thousands of metabolic features, but converting these chemical signals into metabolite set-level biological knowledge remains challenging. This is because most features lack unambiguous metabolite identities. Conventional metabolite set enrichment analysis (MSEA) generally requires identified metabolites and metabolite-level ranked inputs, leaving much of the untargeted feature space unused. Here, we present FeatureMSEA, a feature rank-based framework for metabolite set enrichment directly from metabolic features with ambiguous annotations. FeatureMSEA integrates multi-evidence feature-to-metabolite annotation, feature rank-based enrichment scoring, permutation-based inference, and iterative leading-edge-guided annotation refinement, with an optional LLM-assisted module for post-enrichment interpretation. In null comparisons of randomly split healthy samples, FeatureMSEA detected no significant metabolite sets, whereas metabolite-set spike-in simulations showed recovery of implanted signals. In a cerebrospinal fluid metabolomics study of Huntington's disease, FeatureMSEA identified dysregulated metabolite sets related to amino acid metabolism, mitochondrial energy metabolism, and neuroactive signaling. MS/MS-based annotation analysis further showed that FeatureMSEA refinement reduced annotation ambiguity and prioritized chemically consistent candidate metabolites. In summary, FeatureMSEA provides a general framework for extracting metabolite set-level biological insights from LC-MS untargeted metabolomics in which confident metabolite identification remains incomplete.

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

WEQA: Wearable hEalth Question Answering with Query-Adaptive Agentic Reasoning

arXiv:2606.18147v1 Announce Type: new Abstract: Language models are remarkably capable at medical question answering, in some cases surpassing the accuracy of general physicians. However, answering questions about wearable health data remains challenging and understudied, as these ubiquitous sensors produce continuous, high-dimensional, and longitudinal data, which is non-trivial to align with text-centric distributions in LLM pretraining. The diversity of sensor modalities and user intents cannot be effectively handled by a fixed reasoning workflow or a single pretrained foundation model. To address these challenges, we propose WEQA, a query-adaptive agent framework that unifies LLM reasoning with specialized wearable analytical and modeling tools. An LLM controller is employed to synthesize execution plans and dynamically route each query to the appropriate combination of sensor analysis and pretrained models, and perform grounded response auditing with external knowledge. We also curate a benchmark spanning four open wearable datasets comprising analytic and predictive tasks in three different health domains. Experiments show that our framework is 24% more accurate than LLM and agentic baselines, and a blinded study with 12 medical experts and 8 users shows substantial gains in usefulness and clinical soundness.

25.
arXiv (CS.LG) 2026-06-12

Attacking the First-Principle: A Black-Box, Query-Free Targeted Mimicry Attack on Binary Function Classifiers

arXiv:2605.18231v2 Announce Type: replace Abstract: Binary function classifiers play a crucial role in maintaining the security and integrity of software systems by detecting malicious code and unauthorized modifications. However, machine learning-based classifiers are vulnerable to adversarial attacks that can evade detection. In this study, we present Kelpie, a novel framework for executing mimicry attacks, a stronger type of targeted evasion attacks, on binary function classifiers in a black-box, zero-query setting. Unlike previous approaches that rely on querying the target classifier to refine untargeted evasion attacks, Kelpie leverages code transformations that preserve the functionality of malicious payloads while causing them to be misclassified as we want. Through extensive experimentation, we demonstrate that Kelpie can successfully execute mimicry attacks against six state-of-the-art binary function classifiers representing different model architectures without requiring direct interaction with them. We further validate our approach with a practical demonstration, involving a keylogger and a wiper concealed within benign-looking functions embedded in an application. This work, to our best knowledge, is the first to demonstrate such a mimicry attack in a black-box, zero-query context, raising important questions about the reliability and security of existing machine learning-based binary function classifiers.