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01.
medRxiv (Medicine) 2026-06-22

Image-based deep learning for emergency electrocardiogram classification

Automated electrocardiogram analysis has advanced largely through digital waveforms, yet many emergency-care workflows rely on ECGs available only as printed tracings, scanned reports, PDFs or mobile photographs. We developed an image-based deep learning system for emergency ECG classification and evaluated it in InCor-EMG, an expert-adjudicated dataset of 18,519 emergency ECGs spanning 12 ECG categories, with labels from 19 cardiologists. On the held-out test set, the final ConvNeXt ensemble achieved a macro F1-score of 0.807 (95% CI, 0.788-0.825), compared with 0.820 (95% CI, 0.805-0.832) for annotating cardiologists, and higher F1-scores than Mortara Veritas in most evaluated categories. Performance was associated more strongly with inter-reader agreement than with training sample size and remained informative across scanned and photographed ECGs, with supportive performance in model-enriched temporal and heterogeneous public-image evaluations. These findings support ECG image classification when digital waveforms are unavailable.

02.
arXiv (CS.LG) 2026-06-16

Pre-Training for Simulation-Based Science: A Study on Jet Foundation Model Training Objectives

arXiv:2606.14870v1 Announce Type: cross Abstract: Foundation models (FMs) trained on large datasets and fine-tuned on downstream tasks have emerged as a powerful paradigm in AI for science. Industrial FMs are typically trained using self-supervision with masking due to the lack of labels. In many scientific domains, accurate simulations are plentiful and facilitate large, labeled datasets. This opens up new possibilities for pre-training. We present a systematic comparison of pre-training methods using the OmniLearned High Energy Physics FM framework. We test supervised classification, flow-matching generation, and self-supervised masked particle modeling. All models are pre-trained on the JetClass dataset and fine-tuned on two representative downstream tasks, top jet classification and JetNet conditional generation. Among other observations, for classification tasks, we find that pure classifier pre-training is optimal when downstream labels and model capacity are plentiful, but combining it with self-supervised masked particle modeling (MPM) is uniquely powerful in the low-finetuning label regime. Flow matching-based generative pre-training seems to provide little benefit for downstream classification, and interestingly, for downstream generation, we find that flow matching must be in the pre-training objective to see a significant finetuning advantage, hinting at the orthogonality of classification and generation tasks. That is, for a model to transfer to both generative and classification downstream tasks, it must be pre-trained on both. This study provides a template for controlled scaling analysis of pre-training objectives for foundation models in simulation-based sciences.

04.
arXiv (CS.AI) 2026-06-19

CADBench: A Multimodal Benchmark for AI-Assisted CAD Program Generation

arXiv:2605.10873v2 Announce Type: replace-cross Abstract: Recovering editable CAD programs from images or 3D observations is central to AI-assisted design, but progress is difficult to measure because existing evaluations are fragmented across datasets, modalities, and metrics. We introduce CADBench, a unified benchmark for multimodal CAD program generation. CADBench contains 18,000 evaluation samples spanning six benchmark families derived from DeepCAD, Fusion 360, ABC, MCB, and Objaverse; five input modalities including clean meshes, noisy meshes, single-view renders, photorealistic renders, and multi-view renders; and six metrics covering geometric fidelity, executability, and program compactness. STEP-based families are stratified by B-rep face count and all families are diversity-sampled to support controlled analysis across complexity and object variation. We benchmark eleven CAD-specialized and general-purpose vision-language systems, generating more than 1.4 million CAD programs. Under idealized inputs, specialized mesh-to-CAD models substantially outperform code-generating VLMs, which remain far from reliable CAD program reconstruction. CADBench further reveals three recurring failure modes: reconstruction quality degrades with geometric complexity, CAD-specialized models can be brittle under modality shift, and model rankings change across metrics. Together, these results position CADBench as a diagnostic testbed for measuring progress in editable 3D reconstruction and multimodal CAD understanding. The benchmark is publicly available at https://github.com/anniedoris/CADBench.

05.
arXiv (CS.CV) 2026-06-18

Native Active Perception as Reasoning for Omni-Modal Understanding

Passive models for long video understanding typically rely on a "watch-it-all" paradigm, processing frames uniformly regardless of query difficulty, causing computational cost to grow with video duration. Although interactive frameworks have emerged, they often rely on global pre-scanning, and their context cost still scales with video length. We propose OmniAgent, the first native omni-modal agent that formulates video understanding as a POMDP-based iterative Observation-Thought-Action cycle. OmniAgent executes on-demand actions to selectively distill audio-visual cues into a persistent textual memory, effectively decoupling reasoning complexity from raw video duration. To operationalize this, we introduce (1) Agentic Supervised Fine-Tuning to bootstrap native active perception via best-of-N trajectory synthesis with dual-stage quality control, and (2) Agentic Reinforcement Learning with TAURA (Turn-aware Adaptive Uncertainty Rescaled Advantage), which leverages turn-level entropy to steer credit assignment toward pivotal discovery turns. Crucially, OmniAgent exhibits positive test-time scaling, where performance improves as the number of reasoning turns increases, validating the efficacy of active perception. Empirical results across ten benchmarks (e.g., VideoMME, LVBench) demonstrate that OmniAgent achieves state-of-the-art performance among open-source models. Notably, on LVBench, our 7B agent outperforms the 10$\times$ larger Qwen2.5-VL-72B (50.5% vs. 47.3%).

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

Learning Earthquake Wave Arrival Time Picking from Labels with Inaccuracies

arXiv:2606.15377v1 Announce Type: cross Abstract: Inaccurately labeled training data, or "label noise", poses a significant threat to the integrity of supervised machine learning models. This corruption directly degrades performance by teaching the model erroneous mappings between features and labels, which leads to poor generalization and reduced accuracy on properly labeled validation and test data. Current seismological applications mainly rely on large-scale training sets or data augmentation to reduce the label-noise impact, which can be labor-intensive and costly. Here, we introduce a Label Noise-Contrastive Robust Learning (LaNCoR) approach that can effectively handle noisy labels in seismic signal processing tasks, without requiring large-scale training datasets. In this approach, the input waveform feature and label representation distributions are aligned in the feature space to correct mislabeling and reduce its impact on the training process. We present LaNCoR's performance on the task of P-phase arrival-time picking of real microseismic data using two baseline models and training approaches. Our results indicate that LaNCoR can improve performance by up to 28.8% across performance metrics. This approach holds great promise for model training in seismology and geosciences.

07.
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.

08.
arXiv (CS.AI) 2026-06-19

Beyond Reasoning Gains: Mitigating General-Capability Forgetting in Large Reasoning Models

arXiv:2510.21978v2 Announce Type: replace-cross Abstract: Reinforcement learning with verifiable rewards (RLVR) has delivered impressive gains in mathematical and multimodal reasoning and has become a standard post-training paradigm for contemporary language and vision-language models. However, the RLVR recipe introduces a significant risk of capability regression, in which models forget foundational skills after prolonged training without employing regularization strategies. We empirically confirm this concern, observing that open-source reasoning models suffer performance degradation on core capabilities such as perception and faithfulness. While imposing regularization terms like KL divergence can help prevent deviation from the base model, these terms are computed on the current task and therefore do not guarantee preservation of broader knowledge. Meanwhile, commonly used experience replay across heterogeneous domains makes it nontrivial to decide how much training emphasis each objective should receive. To address this, we propose RECAP-a replay strategy with dynamic objective reweighting for general knowledge preservation. Our reweighting mechanism adapts online using short-horizon signals of convergence and instability, shifting the post-training focus away from saturated objectives and toward underperforming or volatile ones. Our method is end-to-end and readily applicable to existing RLVR pipelines without training additional models or heavy tuning. Extensive experiments on benchmarks using Qwen2.5-VL-3B and Qwen2.5-VL-7B demonstrate the effectiveness of our method, which not only preserves general capabilities but also improves reasoning by enabling more flexible trade-offs among in-task rewards.

09.
arXiv (CS.CL) 2026-06-25

Beyond Function Calling: Benchmarking Tool-Using Agents under Tool-Environment Unreliability

Large language models are increasingly deployed as agents that solve tasks by interacting with external tool environments. Although recent tool-use benchmarks increasingly cover complex task settings, they still largely assume clean, stable, and trustworthy tool environments, leaving tool-environment unreliability insufficiently examined. We introduce ToolBench-X, a benchmark for evaluating agents under recoverable reliability hazards. ToolBench-X contains executable multi-step tasks across diverse domains and sequential, parallel, and mixed workflows, each paired with deterministic tools and a canonical final answer for automatic evaluation. Starting from clean tool environments, ToolBench-X injects five structured hazard types: Specification Drift, Invocation Error, Execution Failure, Output Drift, and Cross-source Conflict. Crucially, each injected instance remains solvable through at least one valid recovery path, such as retrying, fallback, verification, or cross-checking. Experiments reveal a substantial reliability gap: agents that perform well with reliable tools often fail under recoverable hazards. Further analysis shows that failures are driven less by tool-use volume or inference budget than by limited hazard diagnosis and ineffective recovery. Targeted recovery hints recover many failed tasks, while test-time scaling yields more limited gains. These results suggest that tool-use evaluation should move beyond function-call accuracy toward task completion under unreliable tool environments. The code and data is available at https://github.com/Foreverskyou/ToolBench-X.

10.
arXiv (CS.CL) 2026-06-25

RAVEN: Long-Horizon Reasoning & Navigation with a Visuo-Spatio-Temporal Memory

Long-term robot deployment requires a compact and scalable memory that preserves fine-grained visual semantics, grounds observations in space and time, and enables efficient storage and retrieval. In this paper, we propose RAVEN, an agentic memory system for long-horizon robotic question answering and navigation. RAVEN stores visual embeddings with pose and time in a vector database, and grounds retrieval in a spatial map to answer queries and navigate to goals. By operating directly on visual embeddings, RAVEN avoids lossy image-to-text captioning and enables accurate semantic, spatial, and temporal retrieval at scale. Across several simulated and real-world video question-answering benchmarks, RAVEN consistently surpasses caption-based memory systems and matches frontier VLMs on long-horizon tasks at 10$\times$ lower retrieval cost. Finally, we instantiate RAVEN on a Unitree Go1 robot for the task of long-horizon navigation for natural language goal-reaching, and show successful deployment over several large indoor environments.

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

PERTINENCE: Input-based Opportunistic Neural Network Dynamic Execution

arXiv:2507.01695v3 Announce Type: replace Abstract: Deep neural networks (DNNs) are widely used for their ability to model complex patterns across domains such as computer vision, speech recognition, and robotics. However, larger models, while often more accurate, are computationally expensive and energy-intensive. Since such a cost is typically needed only for challenging inputs, dynamically selecting lighter models for simpler inputs can improve efficiency with minimal impact on accuracy. We introduce PERTINENCE, a runtime method that selects, from a set of pre-trained models, the lightest model likely to process each input correctly. An ML-based dispatcher performs this selection, and a genetic algorithm explores dispatcher training strategies to identify Pareto-optimal trade-offs between accuracy and computational cost. We evaluate PERTINENCE on CNNs trained on CIFAR-10 and CIFAR-100, ViTs trained on TinyImageNet, and a YOLO-based road occupancy estimation application using real-time intersection camera feeds. Results show that PERTINENCE matches or improves the accuracy of state-of-the-art pre-trained models while reducing operations by up to 36%, with equivalent or lower end-to-end inference time through tunable invocation intervals.

13.
arXiv (CS.CV) 2026-06-15

3D-RFT: Reinforcement Fine-Tuning for Video-based 3D Scene Understanding

Reinforcement Learning with Verifiable Rewards ( RLVR ) has emerged as a transformative paradigm for enhancing the reasoning capabilities of Large Language Models ( LLMs), yet its potential in 3D scene understanding remains under-explored. Existing approaches largely rely on Supervised Fine-Tuning ( SFT), where the token-level cross-entropy loss acts as an indirect proxy for optimization, leading to a misalignment between training objectives and task performances. To bridge this gap, we present Reinforcement Fine-Tuning for Video-based 3D Scene Understanding (3D-RFT ), the first framework to extend RLVR to video-based 3D perception and reasoning. 3D-RFT shifts the paradigm by directly optimizing the model towards evaluation metrics. 3D-RFT first activates 3D-aware Multi-modal Large Language Models ( MLLM s) via SFT, followed by reinforcement fine-tuning using Group Relative Policy Optimization ( GRPO) with strictly verifiable reward functions. We design task-specific reward functions directly from metrics like 3D IoU and F1-Score to provide more effective signals to guide model training. Extensive experiments demonstrate that 3D-RFT-4B achieves state-of-the-art performance on various video-based 3D scene understanding tasks. Notably, 3D-RFT-4B significantly outperforms larger models (e.g., VG LLM-8B) on 3D video detection, 3D visual grounding, and spatial reasoning benchmarks. We further reveal good properties of 3D-RFT such as robust efficacy, and valuable insights into training strategies and data impact. We hope 3D-RFT can serve as a robust and promising paradigm for future development of 3D scene understanding.

14.
arXiv (quant-ph) 2026-06-11

The quantum harmonic oscillator and the real Hilbert space

arXiv:2606.12060v1 Announce Type: new Abstract: The harmonic oscillator is considered within generalized frameworks using complex and quaternionic numbers. The classical oscillator is considered in terms of a complex position function, and quantum oscillators are examined in terms of complex wave functions, and in terms of quaternionic wave functions as well. Both of the quantum solutions are obtained within the real Hilbert space formalism. The results reveal the complex and quaternionic descriptions as suitable frameworks for non-stationary processes, including damped oscillations, forced oscillations, and additionally self-interacting processes that cannot be appropriately described otherwise.

15.
PLOS Computational Biology 2026-06-03

IsoPepTracker: An interactive web application for peptide-driven isoform analysis

作者:

by Araf Mahmud, Chen Huang Alternative splicing affects 95% of multi-exon genes, generating protein isoforms with distinct functions. While current alternative splicing analyses effectively identify splice events at the RNA level, they provide limited protein-level insight. To address this gap, we developed IsoPepTracker (https://www.isopeptracker.org), a user-friendly web application for analyzing and visualizing differential peptides across canonical and novel isoforms that are theoretically detectable by shotgun mass spectrometry-based proteomics. IsoPepTracker features four modules: Canonical Isoform Analysis, Novel Isoform Discovery, Peptide Sequence Search, and Alternative Splicing Analysis. Each module is tailored for distinct and complementary proteogenomics analyses. Users can input genes, novel cDNA sequences, peptides, or alternative splicing results to pinpoint peptides of interest and identify their associations with target genes or isoforms. We demonstrate the straightforward application of IsoPepTracker in proteogenomics through case studies. IsoPepTracker not only provides informative peptide signatures to understand the protein-level consequences of alternative splicing but also supplies peptide candidates for validation in shotgun proteomics.

16.
arXiv (quant-ph) 2026-06-24

High-harmonic generation driven by temporal-mode quantum states of light

arXiv:2512.06602v2 Announce Type: replace Abstract: We develop a theoretical framework for high-harmonic generation (HHG) driven by quantum states of light based on a temporal-mode expansion of the electromagnetic field. This approach extends previous single plane-wave mode treatments to realistic pulse configurations and arbitrary multi-mode states of light, resolving conceptual inconsistencies arising from non-normalizable infinite plane waves and establishing consistency between analytical and numerical methods. We derive a correction factor that quantifies deviations from the diagonal approximation (in which the yield becomes a statistical average over classical-field simulations) both for the response of a single atom and in the many-atom regime. Our results confirms that the HHG spectrum for atoms driven by any quantum state of light in free space is accurately described by averaging semi-classical calculations over the Husimi distribution, with no observable genuine quantum effects in the spectrum. We also demonstrate that in the many-atom regime, the mean-field coherent-state approximation underlying this treatment does not preserve probabilities, although unitarity is restored by in the diagonal approximation. The absence of genuine quantum effects in the HHG yield is attributed to the large photon numbers ($\sim 10^{11}$) required to reach HHG intensities in free space, which render quantum fluctuations negligible. We discuss nanophotonic environments with ultrasmall mode volumes as potential platforms where few-photon strong-field processes could exhibit genuine quantum signatures.

17.
arXiv (CS.AI) 2026-06-15

The Silent Cost of Artificial Intelligence Assistance: A Theory of Autonomy Surrender, the Recovery Mechanism, and the Restoration of Human Agency

arXiv:2606.13962v1 Announce Type: cross Abstract: The integration of artificial intelligence into human decision-making environments has introduced a previously undertheorized cost: the gradual surrender of human autonomy in exchange for access to information and computational assistance. Building on the Human Identity and Autonomy Gap (HIAG) framework, this paper advances a theoretical model of autonomy surrender as a measurable, cumulative process driven by cognitive bandwidth depletion. The model proposes three interacting mechanisms: the silent cost of AI assistance, in which autonomy is transferred incrementally and without awareness; the surrender threshold, beyond which reclaiming autonomous function becomes cognitively and psychologically difficult; and the recovery mechanism, which establishes the design obligation and the ethical responsibility accompanying deliberate human re-assumption of control. The paper argues that human re-entry into the decision loop is not a passive option but an active cognitive event requiring intentional bandwidth restoration. The design of AI systems must incorporate structured re-entry pathways, here termed recovery mechanisms, that preserve human agency while appropriately distributing responsibility. The model further predicts a terminal state, here termed preference inversion, in which functional dependence on AI assistance is experienced not as a deficit but as a preference, transforming the restoration of autonomy from a design problem into a cultural and political one. Implications are drawn for AI system design, governance frameworks, and human factors research.

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

Interpolation between Convolution and Attention via K-Nearest Neighbors

作者:

The shift from Convolutional Neural Networks to Transformers has reshaped computer vision, yet these two architectural families are typically viewed as fundamentally distinct. Convolutional Neural Networks are defined by spatially local convolution operations, while Transformers rely on global self-attention. We argue that convolution and self-attention, despite their apparent differences, can be unified within a single k-nearest neighbor aggregation framework. The critical insight is that both operations are special cases of neighbor selection and weighted aggregation. Convolution selects neighbors by spatial proximity while self-attention selects by feature similarity, revealing that they lie on a continuous spectrum rather than representing categorically different computations. We introduce Convolutional Nearest Neighbors (ConvNN), a unified framework that formalizes this connection. ConvNN exactly recovers standard and depthwise convolution by restricting neighbor selection to normalized spatial coordinates, and exactly recovers self-attention and its sparse variants, including KVT-attention, by replacing spatial proximity with scaled dot-product similarity. Beyond these special cases, ConvNN serves as a drop-in replacement for both convolution and attention layers, enabling systematic exploration of the intermediate spectrum between local and global aggregation through configurable similarity functions, neighbor selection strategies, positional encodings, and aggregation kernels.

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

Veriphi: Attack-Guided Neural Network Verification with Dataset-Dependent Training Methods

arXiv:2606.18454v1 Announce Type: cross Abstract: We present Veriphi, a GPU-accelerated neural network verification system that combines fast adversarial attacks with formal bound certification using alpha,beta-CROWN methods. Through systematic experiments on MNIST and CIFAR-10 using three training methodologies (standard, adversarial, certified), we demonstrate that training method effectiveness is fundamentally dataset-dependent. Interval Bound Propagation (IBP) achieves 78% certified accuracy on simple MNIST (784 dimensions) but provides negligible certification performance on the more complex CIFAR-10 dataset, where PGD adversarial training dominates with 94% certification at small perturbations. We achieve 5x verification speedup through attack-guided falsification and scale our approach to production-size models (105.8M parameters) for real-world aerospace logistics optimization. Our results challenge the assumption that certified training universally outperforms adversarial training, showing context matters critically for verification strategy selection.

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

HarnessBridge: Learnable Bidirectional Controller for LLM Agent Harness

arXiv:2606.12882v1 Announce Type: new Abstract: Large language models are increasingly deployed as agents for long-horizon tasks, yet their performance is shaped not only by model capability and environment design, but also by the harness that mediates agent–environment interaction. Existing harnesses are largely manually engineered, making them difficult to scale as trajectories grow longer and interactions become more complex. In this work, we ask whether harness can be generated by a learnable plug-in module that can be trained in an end-to-end fashion. We introduce HarnessBridge, a lightweight learnable harness controller that parameterizes the agent–environment interface as a bidirectional projection. HarnessBridge learns two bidirectional projections: observation projection, which distills raw trajectories into compact, decision-relevant states, and action projection, which converts proposed actions into executable transitions or trajectory-grounded rejections. We train HarnessBridge on a harness supervision dataset via unified instruction tuning. On Terminal-Bench~2.0 and SWE-bench Verified, HarnessBridge matches or surpasses strong specialized harnesses while substantially reducing token usage and trajectory length, and generalizes from smaller generators to larger commercial models.

21.
arXiv (CS.CV) 2026-06-16

Explainable Flood Segmentation on Sentinel-1 SAR Imagery: A Comparative Study of CNN and Transformer Architectures

Rapid and accurate flood prediction is essential for disaster response and mitigation planning. Synthetic Aperture Radar (SAR) sensors in satellites are well-suited for this purpose because they operate independently of weather and daylight conditions. Although SAR-based data enable all-weather flood monitoring, distinguishing flooded land from permanent water remains a significant challenge, particularly when flooding is defined strictly as inundated land. This study provides a comprehensive comparison of convolutional neural network (CNN) and vision transformer architectures for multi-class flood segmentation using Sentinel-1 SAR imagery, specifically trained to separate flooded land from permanent water bodies and land. Three state-of-the-art (SOTA)CNN-based models, U-Net, U-Net++, and DeepLabV3 with ResNet-34 backbone, and three SegFormer variants (b0,b1,b2) were evaluated in two benchmark datasets, the ETCI NASA dataset and SenFloods11, using scene-based data splits to ensure a realistic assessment of spatial generalization. The results demonstrate that SegFormer-b2 significantly outperforms the U-Net baseline on the ETCI dataset (higher flood IoU across all 7 test scenes in the Wilcoxon signed-rank test), while after fine-tuning on Sen1Floods11, the advantage narrows to within the range of scene variability and is concentrated in spatially fragmented flood events. The study includes both qualitative and quantitative explainability techniques to visually comprehend model decisions and systematically assess prediction reliability. Qualitative analysis reveals that SegFormer-b2 produces more spatially coherent Grad-CAM activations focused on flood-relevant features, while U-Net generates more informative uncertainty estimates along flood boundaries.

22.
arXiv (CS.AI) 2026-06-12

APCyc: Property-Informed Design of Cyclic Peptides via Automated Cyclization

arXiv:2606.12991v1 Announce Type: new Abstract: Cyclic peptides represent a promising class of therapeutic compounds in modern drug discovery, often offering improved stability and binding affinity. However, the de novo design of cyclic peptides remains challenging because methods must identify pocket-adaptive cyclization patterns and linkage sites while simultaneously controlling drug-relevant properties. This challenge is particularly pronounced for recent generative models trained predominantly on linear peptide data, which may fail to capture cyclization-specific constraints. To address the limitation, we introduce APCyc, a target-aware de novo cyclic peptide generation framework that explicitly models cyclization and jointly optimizes multiple essential physicochemical properties. By using an expanded residue vocabulary and explicitly encoding cyclization-site and linkage-type information, APCyc learns cyclization-aware representations and leverages Bayesian posterior guidance to steer sampling toward cyclic peptides satisfying multiple property objectives. Experimental results demonstrate that our model learns target-dependent cyclization preferences, and enables effective and controllable multi-property optimization for cyclic peptide design. The source code of this paper is available at https://github.com/HKUSTGZ-ML4Health-Lab/APCyc.

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

LIBERO-Occ: Evaluating and Improving Vision-Language-Action Models under Scene-Induced Occlusion via Viewpoint Imagination

Vision-Language-Action (VLA) models achieve strong performance on standard manipulation benchmarks, but most evaluations assume that task-relevant objects are fully visible. This assumption often fails in realistic settings, where occlusion makes manipulation partially observable. In this paper, we study scene-induced occlusion as a fundamental challenge for VLA models and introduce LIBERO-Occ, an occlusion-oriented extension of LIBERO. Experiments show that state-of-the-art VLAs suffer substantial performance degradation under occlusion. To address this issue, we propose Viewpoint Imagination (VIM), which generates a complementary view from an occluded primary observation and conditions action prediction on both observed and imagined evidence. VIM improves robustness across task suites, occlusion types, and severity levels without requiring additional cameras at deployment time, suggesting that viewpoint imagination is an promising mechanism for perception completion in partially observable manipulation. Our benchmark and corresponding code are available at: \href{https://github.com/litsh/Libero-Occ}{https://github.com/litsh/Libero-Occ}.

24.
arXiv (quant-ph) 2026-06-19

Matrix Product Operator Encodings of the Magnus Expansion and Dyson Series

arXiv:2605.21597v2 Announce Type: replace Abstract: We introduce a matrix product operator (MPO) encoding of the Magnus expansion and the Dyson series for one-dimensional quantum lattice models with time-dependent Hamiltonians. The MPO construction can be made accurate up to arbitrary order in the time step, it can be applied to both finite and infinite systems, and it can handle long-range interactions. The resulting MPO can be combined with state-of-the-art time evolution algorithms based on matrix product states, allowing for drastic improvements in simulating evolution under time-dependent Hamiltonians. Our MPO construction can also be used for the optimization of quantum circuits in the context of quantum simulation of time-dependent Hamiltonians.

25.
arXiv (quant-ph) 2026-06-15

Tamed Feynman-Kac diffusion processes: Killing-branching intertwine

arXiv:2605.07824v2 Announce Type: replace-cross Abstract: Relaxation to equilibrium of a drifted Brownian motion is quantified by a transition probability density function, whose main (multiplicative) entry is an inferred Feynman-Kac kernel of the Schr\"{o}dinger semigroup operator. Although seemingly devoid of a natural probabilistic significance (except for its explicit path integral definition), the pertinent kernel relaxes to equilibrium as well. The implicit Feynman-Kac potential ${\cal{V}}(x)$, continuous, confining and bounded from below, may take negative values. If positive, ${\cal{V}}(x)$ can be interpreted as the killing rate of the decaying diffusion process. In case of relaxing F-K kernels the killing effects are tamed (often overcompensated). The taming inavoidably appears in conjunction with the existence of the negativity subdomains of ${\cal{V}}(x)$ in $R$. If locally ${\cal{V}}(x) < 0$, its sign inversion $- {\cal{V}}(x)$ can be interpreted as the branching (cloning, alternatively bifurcation) rate in the course of the other wise free random motion. The arising killed diffusion processes with branching, we interpret as the possible path-wise background of tamed (relaxing) Feynman-Kac diffusions. We present acomputer-assisted path-wise arguments, towards a consistency of the killing/branching taming scenario, for a number of nonlinear model systems in one space dimension. Special attention is paid to Feynman-Kac potential shapes in the double well form, where an analytic access to eigenvalues and eigenfunctions is scarce. Throughout the paper the dynamics refers to the positive real time. Since the Newton-type equations of motion for admissible classical trajectories have a Euclidean form (due to the sign inverted force term), we give a brief resume of a couple of their explicit solutions, without recourse to the Euclidean time intuitions, and the instanton lore of related quantum model systems.