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01.

bioRxiv (Bioinfo) 2026-06-20 DOI: HASH:1d1533d50dadea05b1249ee3a67c7593

SAbDab2: The structural antibody database in the age of machine learning

作者:

Capel↗H. L↗Vavourakis↗Williams↗B. H↗Taylor↗C. R↗Deane↗C. M↗

The Structural Antibody Database (SAbDab) is a publicly available repository of experimentally determined antibody structures, first released in 2013. Explicit support for single-domain antibodies was added in 2021, with SAbDab-nano. Recently, increasing interest in antibodies has led to a proliferation of novel antibody formats, while simultaneous advances in machine learning have increased demand for standardised, high-quality structure data. Here, we present SAbDab2, re-engineered for the machine-learning age. It introduces support for a variety of new formats, and makes it easy to retrieve and compare all known structures of a given antibody. In addition, SAbDab2 provides ready access to ML-grade structures of antibody and antibody–antigen-complexes, with standardised, versioned train/test splits. These will be updated every six months going forward, and are available at https://zenodo.org/records/20083995. SAbDab2 itself is updated weekly and is freely available at https://sabdab2.opig.stats.ox.ac.uk.

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02.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2606.20246

Finetuning Vision-Language-Action Models Requires Fewer Layers Than You Think

作者:

Gia-Binh Nguyen↗Trong-Bao Ho↗Thien-Loc Ha↗Khoa Vo↗Philip Lund M{\o}ller↗Quang T. Nguyen↗Long Dinh↗Tuan Dam↗Vu Duong↗Tung M. Luu↗Trung Le↗Tran Nguyen Le↗…

arXiv:2606.20246v1 Announce Type: cross Abstract: Vision-Language-Action (VLA) models pre-trained on massive video-robot datasets have revolutionized robotic manipulation, yet their multi-billion parameter architectures impose prohibitive computational burdens during downstream fine-tuning and real-time inference. In this work, we reveal a highly non-trivial architectural characteristic of these continuous control foundation policies (e.g., pi_0, GR00T-N1.5): despite being trained on diverse physical trajectories, they exhibit severe layer-wise representational redundancy. To exploit this, we introduce a structural compression pipeline that is entirely training-free, bypassing the need of existing methods to load full-scale models to learn optimized token reductions or dynamic layer selectors. Instead, using only a single forward pass via Centered Kernel Alignment to identify redundant layer features, we remove twin layers to permanently compress the model depth by up to 50% across both the VLM backbone and the continuous control policy head. Downstream fine-tuning of this streamlined architecture yields a dual acceleration benefit: a 40-50% reduction in training time and up to 30% faster real-time inference, while matching or exceeding full-scale base model performance. We comprehensively validate our method across three simulation benchmarks (LIBERO, RoboCasa, SimplerEnv) and 10 diverse real-world manipulation tasks across 4 unique robotic embodiments. These results prove that advanced VLAs require significantly fewer layers than previously assumed, offering a highly compute-efficient paradigm for scalable robot learning.

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03.

bioRxiv (Bioinfo) 2026-06-21 DOI: HASH:c9e290f119cceaa66abf690d71211597

DeepCDS: Ab initio coding sequence prediction in prokaryotic short reads

作者:

Nielsen↗L. S↗Winther↗

Accurate coding sequence prediction in short prokaryotic metagenomic reads remains challenging due to sequence fragmentation, unknown sequence origins, and sequencing errors. Here we introduce DeepCDS, a deep learning-based ab initio coding sequence predictor trained on short prokaryotic sequences with and without simulated Illumina-like sequencing errors. DeepCDS integrates ESM-2 protein language model embeddings with nucleotide-level information to predict complete and fragmented coding sequence regions. Benchmarking on 215 phylogenetically diverse prokaryotic organisms demonstrates that DeepCDS consistently outperforms current state-of-the-art methods in coding sequence detection, start and stop codon localization, and robustness to different sequencing error profiles, while remaining operational at shorter sequence lengths than existing tools support. These findings demonstrate that protein language models capture distinct signals relevant for nucleotide-level coding sequence detection, especially at very short lengths. Ultimately, DeepCDS may help uncover the functional potential of the vast microbial diversity that remains genomically uncharacterized.

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04.

arXiv (quant-ph) 2026-06-16 DOI: arXiv:2606.15518

Suppressing Intrinsic Spin-Phonon Errors in Trapped-Ion Quantum Simulation

作者:

Dylan Sheils↗James Wang↗Or Katz↗

arXiv:2606.15518v1 Announce Type: new Abstract: Trapped-ion quantum simulators realize programmable spin models through phonon-mediated interactions. For Hamiltonians with noncommuting terms, however, the same phonon bus generates intrinsic spin-phonon errors that strongly distort the target dynamics. Because these errors are governed by the full time history of the spin-dependent phonon motion, they survive standard loop-closing control and limit simulation accuracy. Using a sequence of frame transformations, we isolate the residual error dynamics and show that this intrinsic error can be strongly suppressed while preserving programmable Ising couplings. Full spin-boson simulations of multi-ion chains demonstrate orders-of-magnitude lower error than both constant-drive and conventional loop-closing protocols. These results remove a central precision barrier in trapped-ion analog quantum simulation and enable accurate programmable simulation of noncommuting many-body Hamiltonians and dynamical protocols.

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05.

arXiv (CS.CV) 2026-06-11 DOI: arXiv:2506.03933

Diffusion-based Cumulative Adversarial Purification for Vision Language Models

作者:

Jia Fu↗Yongtao Wu↗Yihang Chen↗Kunyu Peng↗Xiao Zhang↗Volkan Cevher↗Sepideh Pashami↗Anders Holst↗

Vision Language Models (VLMs) have shown remarkable capabilities in multimodal understanding, yet their susceptibility to adversarial perturbations poses a significant threat to their reliability in real-world applications. Despite often being imperceptible to humans, these perturbations can drastically alter model outputs, leading to erroneous interpretations and decisions. This paper introduces DiffCAP, a novel diffusion-based purification strategy that can effectively neutralize adversarial corruptions in VLMs. We theoretically establish a provable recovery region in the forward diffusion process and meanwhile quantify the convergence rate of semantic variation with respect to VLMs. These findings manifest that adversarial effects monotonically fade as diffusion unfolds. Guided by this principle, DiffCAP leverages noise injection with a similarity threshold of VLM embeddings as an adaptive criterion, before reverse diffusion restores a clean and reliable representation for VLM inference. Through extensive experiments across six datasets with three VLMs under varying attack strengths in three task scenarios, we show that DiffCAP outperforms existing defense techniques by a substantial margin. Notably, DiffCAP significantly reduces both hyperparameter tuning complexity and the required diffusion time, thereby accelerating the denoising process. Equipped with theorems and empirical support, DiffCAP provides a robust and practical solution for securely deploying VLMs in adversarial environments. The source code is available at https://github.com/JasonFu1998/DiffCAP.

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06.

arXiv (CS.LG) 2026-06-12 DOI: arXiv:2606.13133

Learning-Augmented Approximation for Unrelated-Machines Makespan Scheduling

作者:

Kaito Baba↗Evripidis Bampis↗Giorgos Mitropoulos↗

arXiv:2606.13133v1 Announce Type: cross Abstract: Recently, Antoniadis et al. (ICLR 2025) proposed a framework for incorporating predictions to approximate NP-hard selection problems. Despite its simplicity, this approach tightly matches theoretical lower bounds, making its generalization highly compelling. We address an open question raised in the work of Antoniadis et al., concerning the extension of this approach to other important problems outside the class of selection problems, such as scheduling. We develop a learning-augmented algorithm for the makespan minimization problem on unrelated machines, denoted by $R\|C_{\max}$. By using predictions of heavy job assignments, we achieve a polynomial-time $(1+\varepsilon)$-approximation for accurate predictions that smoothly degrades to a worst-case 2-approximation as the error increases. We conclude our work with an empirical analysis of our method.

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07.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2606.18897

SAERec: Constructing Fine-grained Interpretable Intents Priors via Sparse Autoencoders for Recommendation

作者:

Jiangnan Xia↗Xuansheng Wu↗Yu Yang↗Xin Wang↗Ninghao Liu↗

arXiv:2606.18897v1 Announce Type: cross Abstract: Intent-based recommender systems have gained significant attention for improving accuracy and interpretability by modeling the underlying motivations behind user behaviors. Most existing models derive intents directly from user sequences via clustering or prototype learning. However, they are sensitive to sequence quality, require presetting the number of intents, and lack explicit semantic grounding. These issues lead to an incomplete and coarse intent set and limit the effectiveness of recommendation. In this paper, we propose the Sparse Autoencoder for intent-based recommendation (SAERec), a novel recommender that automatically constructs a fine-grained and interpretable intent space from a textual corpus to guide recommendation. Rather than treating texts as side signals, SAERec leverages them as high information density evidence for intent construction. Specifically, we first extract a comprehensive set of fine-grained interpretable intents from the latent space of large language models (LLMs) by using a sparse autoencoder (SAE) to disentangle and interpret text embeddings, which isolates intent-related semantics from textual noise. Then, for each user, we retrieve relevant intents from this set as priors to guide recommendation. It contains personal intents matching a user's current interests and public intents capturing general item patterns shared across users (e.g., quality, price). Finally, to integrate retrieved intents into sequence modeling, we propose a multi-branch attention mechanism that captures temporal dependencies and injects both personal and public intent signals, followed by an adaptive fusion layer to construct the final user representation for recommendation. Extensive experiments on public datasets demonstrate the superiority of SAERec, consistently outperforming state-of-the-art baselines while providing human-understandable explanations.

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08.

bioRxiv (Bioinfo) 2026-06-22 DOI: HASH:2a5258a58f620cde242d30fc3478b73c

Complex-valued representations of time-series gene expression profiles for network analysis

作者:

Sun↗Cao↗Ikumi↗Shimizu↗K. K↗Sese↗

Time-series RNA sequencing provides a powerful framework for studying dynamic gene regulation, yet conventional analyses usually represent gene expression profiles as real-valued vectors in Euclidean space and quantify similarity using correlation or distance. Inspired by quantum information theory, we present a framework for encoding time-series gene expression profiles as complex-valued vectors comprising amplitude and phase components in Hilbert space. We designed multiple encoding models to represent gene expression in the amplitude of complex-valued vectors, encode temporal differences in the phase, and extend the phase representation to incorporate the direction of local expression changes. Gene-gene similarity was then quantified using fidelity, which measures the overlap between two encoded vectors. Evaluation using time-series RNA-seq datasets across diverse species and biological contexts showed that different encoding models produced distinct fidelity distributions that were related to, but distinct from, conventional correlation measures. We then constructed gene-gene networks using pairwise fidelity values and detected communities containing genes with similar temporal profiles. Although fidelity distributions differed across encoding models, the resulting communities captured major temporal expression programs, and functional annotations based on gene ontology and Kyoto encyclopedia of genes and genomes pathway analyses provided exploratory biological context. The detected communities were comparable to those obtained using conventional methods, including weighted correlation network analysis and fuzzy c-means clustering. Furthermore, as a proof-of-concept, we performed SWAP-test circuit simulations to mimic fidelity computation on a quantum computer; under noise-aware conditions, these simulations produced less accurate fidelity estimates with higher computational cost than classical computation. As a proof-of-concept, this study provides a complementary view of temporal transcriptome organization, rather than a uniformly superior alternative to conventional methods.

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09.

arXiv (CS.AI) 2026-06-15 DOI: arXiv:2606.14585

Sensitivity Shaping for Latent Modeling

作者:

Hongzhan Yu↗Chenghao Li↗Ruipeng Zhang↗Henrik Christensen↗Sicun Gao↗

arXiv:2606.14585v1 Announce Type: cross Abstract: Generative dynamics models enable planning in challenging robotic systems, but safe deployment requires reliably detecting policy-induced out-of-distribution (OOD) transitions. Existing methods typically treat the learned dynamics as fixed and attach post hoc support surrogates. We show that these surrogates can fail when the dynamics are locally insensitive to critical action choices: unsupported control actions may produce latent predictions that resemble demonstrated transitions, suppressing OOD signals despite large true predictive errors. To address this, we introduce support-conditioned control-sensitivity regularization, which promotes sensitive local response to control input changes in learned dynamics in high-support training regions. This preserves control-induced variation while limiting unstable extrapolation due to weak empirical support. Experiments in vision-based obstacle avoidance, manipulation, and real-robot navigation show improved OOD detection and safer closed-loop planning.

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10.

arXiv (CS.CV) 2026-06-15 DOI: arXiv:2606.05102

ZipSplat: Fewer Gaussians, Better Splats

作者:

Alexander Veicht↗Sunghwan Hong↗D\'aniel Bar\'ath↗Marc Pollefeys↗

Feed-forward 3D Gaussian Splatting methods reconstruct a scene from posed or pose-free images in a single forward pass, yet current approaches predict one Gaussian per input pixel, tying the representation budget to camera resolution rather than scene complexity. A flat wall and a richly textured object thus produce equally many Gaussians despite very different geometric needs. We propose ZipSplat, a token-based feed-forward model that decouples Gaussian placement from the pixel grid. A multi-view backbone extracts dense visual tokens, and k-means clustering compresses them into a compact set of scene tokens. Cross- and self-attention refine these tokens, and a lightweight MLP decodes each into a group of Gaussians with unconstrained 3D positions. Because clustering is applied at inference, a single trained model spans the quality-efficiency curve without retraining. ZipSplat operates without ground-truth poses or intrinsics, yet sets a new state of the art on DL3DV and RealEstate10K with ${\sim}6{\times}$ fewer Gaussians than pixel-aligned methods, surpassing the best pose-free baseline by 2.1dB and 1.2dB PSNR, respectively. It further generalizes zero-shot to Mip-NeRF360 and ScanNet++, outperforming all comparable baselines. Our project page is at https://veichta.com/zipsplat.

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11.

arXiv (CS.AI) 2026-06-17 DOI: arXiv:2508.02721

Blueprint First, Model Second: A Framework for Deterministic LLM Workflow

作者:

Libin Qiu↗Yuhang Ye↗Zhirong Gao↗Xide Zou↗Junfu Chen↗Ziming Gui↗Weizhi Huang↗Xiaobo Xue↗Wenkai Qiu↗Kun Zhao↗

arXiv:2508.02721v2 Announce Type: replace-cross Abstract: While powerful, the inherent non-determinism of large language model (LLM) agents limits their application in structured operational environments where procedural fidelity and predictable execution are strict requirements. This limitation stems from current architectures that conflate probabilistic, high-level planning with low-level action execution within a single generative process. To address this, we introduce the \textsc{Source Code Agent} framework, a new paradigm built on the ``Blueprint First, Model Second'' philosophy that decouples workflow logic from the generative model. An expert-defined operational procedure is first codified into a source code-based Execution Blueprint, which is then executed by a deterministic engine. The LLM is strategically invoked as a specialized tool to handle bounded, complex sub-tasks within the workflow, but never to decide the workflow's path. We evaluate on the TravelPlanner benchmark for constraint-aware travel planning. The \textsc{Source Code Agent} achieves a 35.56\% final pass rate, a 97.6\% improvement over the state-of-the-art ATLAS baseline (18.00\%) on the same Claude-Sonnet-4 backbone. Critically, it reduces constraint violations by 96.0\% (11 vs 275) while improving execution efficiency by 27.1\% (10.2$\pm$0.7 steps vs 14.0). Two production incident-diagnosis deployments and additional results on ScienceWorld and ALFWorld confirm that the architecture transfers beyond travel planning to procedurally well-defined, constraint-intensive workflows. Our work enables the verifiable and reliable deployment of autonomous agents in applications governed by strict procedural logic.

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12.

arXiv (CS.AI) 2026-06-12 DOI: arXiv:2606.13468

Understanding the Rejection of Fixes Generated by Agentic Pull Requests – Insights from the AIDev Dataset

作者:

Mahmoud Abujadallah↗Ali Arabat↗Mohammed Sayagh↗

arXiv:2606.13468v1 Announce Type: cross Abstract: AI coding agents are increasingly used to generate pull requests (PRs) that propose code fixes in software projects. From a first exploration of the AIDev dataset, we find that 46.41\% of the fixes proposed by the agents Copilot, Devin, Cursor, and Claude are rejected. This represents a significant amount of wasted resources that require human reviews, verifications, and running tests and validations for fixes that are merely discarded. Our goal in this paper is to understand the failure modes of AI-agents, an understanding that is crucial for better integrating AI-agents as efficient teammates. In this paper, we conduct a qualitative study on a representative sample of 306 non-merged pull requests created or co-authored by the agents mentioned earlier, followed by a quantitative analysis of the reasons for rejection. Our qualitative findings identify 14 reasons divided into four high-level categories for rejecting AI-agent fixes. We observe that developers can reject fixes due to fixes whose implementation is incorrect (e.g., incomplete, wrong approach), fixes that do not pass the continuous integration (CI) pipelines and fail tests, fixes for which the agent is unable to perform the implementation (e.g., no code generated, sessions lost), and fixes whose priority is low. Our results shed light on the importance of better guiding the model at these levels: (1) proposing hints about the approach to follow for fixing an issue, (2) outlining constraints or limitations regarding the approaches that should not be taken, and (3) instructing the agent on how to validate the implementation through CI pipelines and without introducing a breaking change. Our results suggest the need for good prioritization of tasks so that generated fixes do not lead to wasted human review efforts or wasted agent resources (e.g., tokens, compute, or allowed number of requests).

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13.

arXiv (CS.CL) 2026-06-16 DOI: arXiv:2510.17431

Agentic Reinforcement Learning for Search Misaligns Instruction-Tuning

作者:

Yushi Yang↗Shreyansh Padarha↗Sarah Ball↗Andrew Lee↗Adam Mahdi↗

Agentic reinforcement learning (RL) trains large language models to use tools, but its impact on alignment is poorly understood. We study how agentic RL for search affects the alignment of instruction-tuned (IT) models. We find that RL-trained models inherit refusal reasoning by deflecting harmful requests into benign search queries, but this breaks down under a simple diagnostic trigger that elicits a search call before refusal can occur. Under this condition, RL models produce multi-step unsafe search actions and reasoning, reducing search query safety by up to 68.6% in Qwen and Llama models relative to their IT counterparts. The effect generalises across model families, scales, and RL algorithms. To understand why, we identify linear directions in the residual stream that control search query safety, and show that RL training progressively shifts search behaviour toward the harmful end of this direction. We thus propose representation-guided RL training, which adds a reward penalty based on projection toward the harmful search direction. Training on benign data alone, it restores IT-level alignment without reducing task accuracy and requires no additional training data. Together, our work provides the first framework for diagnosing, mechanistically analysing, and mitigating alignment degradation in agentic RL for search.

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14.

arXiv (CS.CL) 2026-06-12 DOI: arXiv:2602.14367

InnoEval: On Research Idea Evaluation as a Knowledge-Grounded, Multi-Perspective Reasoning Problem

作者:

Shuofei Qiao↗Yunxiang Wei↗Xuehai Wang↗Bin Wu↗Boyang Xue↗Ningyu Zhang↗Hossein A. Rahmani↗Yanshan Wang↗Qiang Zhang↗Keyan Ding↗Jeff Z. Pan↗Huajun Chen↗…

The rapid evolution of Large Language Models has catalyzed a surge in scientific idea production, yet this leap has not been accompanied by a matching advance in idea evaluation. The fundamental nature of scientific evaluation needs knowledgeable grounding, collective deliberation, and multi-criteria decision-making. However, existing idea evaluation methods often suffer from narrow knowledge horizons, flattened evaluation dimensions, and the inherent bias in LLM-as-a-Judge. To address these, we regard idea evaluation as a knowledge-grounded, multi-perspective reasoning problem and introduce InnoEval, a deep innovation evaluation framework designed to emulate human-level idea assessment. We apply a heterogeneous deep knowledge search engine that retrieves and grounds dynamic evidence from diverse online sources. We further achieve review consensus with an innovation review board containing reviewers with distinct academic backgrounds, enabling a multi-dimensional decoupled evaluation across multiple metrics. We construct comprehensive datasets derived from authoritative peer-reviewed submissions to benchmark InnoEval. Experiments demonstrate that InnoEval can consistently outperform baselines in point-wise, pair-wise, and group-wise evaluation tasks, exhibiting judgment patterns and consensus highly aligned with human experts.

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15.

arXiv (CS.AI) 2026-06-15 DOI: arXiv:2605.07984

Where's the Plan? Locating Latent Planning in Language Models with Lightweight Mechanistic Interventions

作者:

Nicole Ma↗Nick Rui↗

arXiv:2605.07984v2 Announce Type: replace-cross Abstract: We study planning site formation in language models – where internal representations of structurally-constrained future tokens form during the forward pass, and whether they causally drive generation. Using rhyming-couplet completion as a clean test of forward-looking constraint, we apply two lightweight methods (linear probing and activation patching) across Qwen3, Gemma-3, and Llama-3 at more than ten scales. Probing shows that future-rhyme information is linearly decodable at the line boundary, with signal that strengthens with scale in all three families. Activation patching reveals that only Gemma-3-27B causally relies on this encoding, exhibiting a handoff in which the causal driver migrates from the rhyme word to the line boundary around layer 30. Every other model we test conditions on the rhyme word throughout generation, with near-zero causal effect at the line boundary despite strong probe signal. We localize the Gemma-3-27B handoff to five attention heads through two-stage path patching that recover ~90% of the rhyme-routing capacity at the newline.

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16.

arXiv (CS.CL) 2026-06-19 DOI: arXiv:2604.00626

A Survey of On-Policy Distillation for Large Language Models

作者:

Mingyang Song↗Mao Zheng↗

As Large Language Models continue to grow in both capability and cost, transferring frontier capabilities into smaller, deployable students has become an important engineering problem, and knowledge distillation remains a common technique for this transfer. The prevailing recipe in industrial pipelines, static imitation of teacher-generated text, carries a structural weakness that grows more severe as tasks become longer and more reasoning-intensive. Because the student is trained on flawless teacher prefixes but generates its own at inference, small errors tend to accumulate into trajectories it has rarely been trained to recover from, and the resulting exposure bias has been shown to scale roughly with the square of sequence length. On-Policy Distillation reorganizes the training loop around this observation by having the teacher provide feedback on what the student actually produces, with the goal of reducing the compounding term toward linear and reframing distillation as an iterative correction process rather than single-pass imitation. The resulting literature has expanded along divergence design, reward-guided optimization, and self-play, yet contributions remain scattered across the knowledge distillation, RLHF, and imitation learning communities without a unified treatment. This survey provides such a treatment. We formalize OPD as f-divergence minimization over student-sampled trajectories, organize the field along three design axes (what to optimize, where the signal comes from, and how to stabilize training in practice), and consolidate success conditions, recurring failure modes, and the connection between OPD and KL-constrained reinforcement learning. We close with open problems that emerge from this synthesis, including distillation scaling laws, uncertainty-aware feedback, agent-level distillation, and the growing overlap between knowledge distillation and RL.

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17.

arXiv (CS.LG) 2026-06-19 DOI: arXiv:2606.19624

MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery

作者:

Hongxuan Liu↗Roman Bushuiev↗Ivy Lightheart↗Mrunali Manjrekar↗Anton Bushuiev↗Magdalena Lederbauer↗Filip Jozefov↗Yinkai Wang↗Soha Hassoun↗Josef Sivic↗James Taylor↗Runzhong Wang↗…

arXiv:2606.19624v1 Announce Type: new Abstract: Reliable benchmarking is critical for developing machine learning models for tandem mass spectrometry (MS/MS) based molecule discovery. Subtle issues in experimental design and model evaluation procedures can degrade the trustworthiness of such benchmarks and lead to erroneous conclusions. We conduct a thorough review of model evaluation issues in the recent MS/MS machine learning literature, using the standard MassSpecGym benchmark suite as a case study to illustrate the impact of these issues. We find evaluation issues in at least 17 of 26 papers reporting MassSpecGym benchmark results in the first year of its adoption. We isolate three classes of failures: (i) data leakage, (ii) shortcut learning, and (iii) implementation bugs and metric divergence. Through extensive experimentation and code replication, we quantify the impact of these issues and show how they corrupt the evaluation standards MassSpecGym was designed to enforce. We distill our findings into recommendations generalizable to MS/MS challenges, benchmarks, and custom evaluation setups. We also release MassSpecGym v1.5, an implementation of our recommendations in the MassSpecGym benchmarking suite which addresses the failure modes identified in this audit. MassSpecGym v1.5 is publicly available at https://github.com/pluskal-lab/MassSpecGym.

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18.

arXiv (CS.CL) 2026-06-16 DOI: arXiv:2606.16206

Measuring Whether LLM Tutors Teach or Solve: A Diagnostic for Educational Impact

作者:

Junyi Yao↗Zihao Zheng↗Baichuan Li↗

Large language models are increasingly proposed as educational tutors, yet stronger task-solving ability does not necessarily imply stronger learning support. Motivated by recent calls to measure the social impact of NLP systems in practice, we study whether public LLM tutoring benchmarks distinguish learning-supportive behavior from mere answer production. We propose a lightweight diagnostic based on the gap between solving-oriented and pedagogy-oriented benchmark performance. Using public MathTutorBench leaderboard results, we show that these dimensions are only partially aligned: across eight publicly reported models, the correlation between solving and pedagogy composites is 0.421, and several models shift meaningfully in rank when evaluation moves from solving to pedagogy. We then analyze the public TutorBench sample and show that agency-relevant behaviors are explicitly encoded in benchmark rubrics, especially in active-learning settings that reward guiding questions, calibrated hints, and non-disclosive scaffolding. Together, these findings suggest that educational-impact evaluation should not treat task success as a sufficient proxy for learning support. We argue that public tutoring benchmarks can better support positive-impact evaluation by reporting solving-oriented and pedagogy-oriented scores separately and by making disclosure-sensitive, student-agency-preserving criteria more explicit.

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19.

arXiv (CS.AI) 2026-06-19 DOI: arXiv:2606.17054

Human Universal Grasping

作者:

Kevin Yuanbo Wu↗Tianxing Zhou↗Isaac Tu↗Billy Yan↗Irmak Guzey↗David Fouhey↗Dandan Shan↗Lerrel Pinto↗

arXiv:2606.17054v1 Announce Type: cross Abstract: Humans can grasp objects effortlessly, whereas multi-fingered robots are far from this level of generality. We argue that the most natural source of robot grasping data is from humans, who pick up thousands of objects every day. We present HUG, a flow-matching model that generates diverse human grasps for any user-specified object in a single RGB-D image captured from a stereo camera. Using smart glasses, we first collect 1M-HUGs, an egocentric dataset of human grasps spanning 1M frames (27.8 hrs) and 6,707 object instances across 41 buildings. Next, to model the distribution of natural human grasps, our novel flow-matching model fuses RGB and depth observations to output a grasp parameterized by wrist translation, wrist rotation, and MANO hand pose. Predicted grasps can be retargeted to various robot hands, enabling zero-shot grasping in everyday scenes. To standardize evaluation, we build a new simulated benchmark, HUG-Bench, of 90 unseen objects from five geometric categories and various sizes, with metric-scale 3D meshes. We evaluate HUG in the real world on the 30-object test set of HUG-Bench across multiple stereo cameras, robot embodiments, and household environments. HUG outperforms the state-of-the-art grasping baselines by +23% and +34% on our challenging object set. Code, data, benchmark, checkpoints, and an interactive demo are released on our website: https://grasping.io/

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20.

bioRxiv (Bioinfo) 2026-06-16 DOI: HASH:c29aeb01426a8585297d230583894f4c

THEOBROMA: an aggregated open database of 1.13 million natural products with per-compound license auditing, three-tier classification, and stereochemistry-aware deduplication

作者:

Klamt↗Jaczkowski↗Franke↗Nejdl↗

Natural products remain one of the most productive sources of pharmacologically active compounds for drug discovery, yet the current open aggregator landscape attributes licenses at database rather than compound granularity, with consequences that have become tangible as the field grows. A recent relicensing event in one constituent source (the September 2024 transition of the Natural Products Atlas to CC BY-NC 4.0) demonstrates how database-level licensing propagates across an aggregate and motivates the per-compound audit framework presented here. The same peer cohort separately leaves classification provenance and stereoisomer-family relations coarser than either layer warrants. THEOBROMA, accessible at url{https://theobroma.l3s.uni-hannover.de}, integrates 1{,}133{,}004 natural products from 29 open sources under a per-compound license audit that resolves each compound's license tier across all attesting sources under a most-restrictive-wins rule, identifying 900{,}170 compounds (79.4%) under open-use licenses and exposing the per-source attestation chain and resolved tier through a dedicated audit endpoint and a query-time license filter. A three-tier classification stratifies 89.3% coverage into 35.1% curated, 43.9% high-confidence inferred, and 10.3% exploratory tiers, with 486{,}215 stereoisomer families preserved by full 27-character InChIKey deduplication and exposed via a dedicated texttt{/api/stereoisomers/} endpoint and a radial-family display. Per-compound license provenance is the primary differentiator. Classification stratification and stereoisomer-family exposure add finer-grained access to two related axes, supporting license-compatible virtual screening and isomer-specific bioactivity analysis at corpus scale. As an evolving open resource, THEOBROMA pairs continuous pipeline maintenance with interactive geographic, taxonomic, and chemical-space exploration.

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21.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.15940

Causal-Privacy Audit Workflow for Synthetic and Distilled Data in Dropout Support

作者:

Hanghang Zheng↗Xiwei Zhuang↗Zhong Wang↗Hong Liu↗Xiao Chen↗Jingwen He↗Xia Li↗

arXiv:2606.15940v1 Announce Type: new Abstract: Synthetic and distilled student data are increasingly used to enable privacy-conscious learning analytics, yet their suitability for decision-facing institutional support remains uncertain. In dropout support, generated data must preserve not only predictive utility or distributional resemblance, but also the financial-status evidence used to guide advising, payment-plan assistance, and scholarship-related decisions. Method: This study introduces CaP-Eval, a decision-facing causal-privacy audit workflow for evaluating generated student data under a fixed estimand, timing-aware adjustment design, estimator set, and empirical privacy-governance screen. The workflow compares original, distilled, adversarial synthetic, statistical synthetic, and DPGNet privacy-oriented generated data on predictive utility, treatment-effect fidelity, robustness to alternative estimators, and local training-record proximity. Results: DPGNet and distilled data preserved the original financial-status treatment-effect structure more reliably than the adversarial and Gaussian Copula baselines. DPGNet preserved full direction and rank agreement across epsilon levels; epsilon = 10 produced the smallest non-original IPW and DML deviations, while epsilon = 1 and epsilon = 5 amplified several financial-status contrasts. Distilled data remained highly faithful but retained the strongest local training-record proximity signal. TabularGNet preserved qualitative directions with moderate attenuation, and Gaussian Copula compressed effect magnitudes. Conclusions: Predictive utility, privacy orientation, empirical disclosure signals, and causal fidelity diverged; generated student data require joint audits of direction, magnitude, overlap, and release-governance risk before decision use.

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22.

arXiv (CS.LG) 2026-06-18 DOI: arXiv:2606.19303

P-K-GCN: Physics-augmented Koopman-enhanced Graph Convolutional Network for Deep Spatiotemporal Super-resolution

作者:

Xizhuo↗Zhang↗Zekai Wang↗Fei Liu↗Bing Yao↗

arXiv:2606.19303v1 Announce Type: new Abstract: High-fidelity simulation of spatiotemporal dynamics is computationally prohibitive, necessitating efficient super-resolution techniques to reconstruct high-resolution data from coarse-grained inputs. Traditional data-driven methods often lack physical constraints, and simple physics-informed learning struggles with irregular spatial geometries and intricately evolving temporal dynamics. To tackle these challenges, we propose a Physics-augmented Koopman-enhanced Graph Convolutional Network (P-K-GCN) for spatiotemporal super-resolution on irregular geometries. Specifically, a continuous spline-based GCN is first designed to extract spatial dependencies directly from coarse graph, and Koopman operator theory is incorporated to project the nonlinear dynamics into a compact latent space where temporal progression is linearized. Second, we augment the optimization objective with a physics-based loss to force the data-driven reconstructions to adhere to physical laws for improving predictive fidelity and robustness. Finally, we provide a rigorous theoretical analysis, establishing that the physics augmentation and Koopman regularization mathematically guarantees a reduction in super-resolution error by diminishing Rademacher complexity and tightening generalization bounds. We evaluate our framework on reconstructing spatially high-resolution cardiac electrodynamics across a 3D heart geometry from sparse low-resolution measurements. Numerical experiments demonstrate that our method achieves superior accuracy compared to baseline models.

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23.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2603.03417

Parallel Test-Time Scaling with Multi-Sequence Verifiers

作者:

Yegon Kim↗Seungyoo Lee↗Chaeyun Jang↗Hyungi Lee↗Juho Lee↗

arXiv:2603.03417v2 Announce Type: replace-cross Abstract: Parallel test-time scaling, which generates multiple candidate solutions for a single problem, is a powerful technique for improving large language model performance. However, it is hindered by two key bottlenecks: accurately selecting the correct solution from the candidate pool, and the high inference latency from generating many full solutions. We argue that both challenges are fundamentally linked to verifier calibration, as a well-calibrated verifier improves answer selection and enables early-stopping strategies to reduce latency. However, existing non-generative verifiers are limited as they score each candidate in isolation, overlooking rich contextual information across the set of candidates. To address this, we introduce the Multi-Sequence Verifier (MSV), a lightweight verifier that predicts each candidate's correctness conditioned on the full sampled set. MSV achieves improved calibration, which directly enhances best-of-N selection performance and empowers a novel early-stopping framework. Across challenging mathematical reasoning benchmarks, MSV improves best-of-64 accuracy by up to 6\% relative to strong baselines, and in the early-stopping setting reaches the same accuracy as baselines with less than half the latency.

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24.

arXiv (CS.CL) 2026-06-15 DOI: arXiv:2602.04879

Rethinking the Trust Region in LLM Reinforcement Learning

作者:

Penghui Qi↗Xiangxin Zhou↗Zichen Liu↗Tianyu Pang↗Chao Du↗Min Lin↗Wee Sun Lee↗

Reinforcement learning (RL) has become a cornerstone for fine-tuning Large Language Models (LLMs), with Proximal Policy Optimization (PPO) serving as the de facto standard algorithm. Despite its ubiquity, we argue that the core ratio clipping mechanism in PPO is structurally ill-suited for the large vocabularies inherent to LLMs. PPO constrains policy updates based on the probability ratio of sampled tokens, which serves as a noisy single-sample Monte Carlo estimate of the true policy divergence. This creates a sub-optimal learning dynamic: updates to low-probability tokens are aggressively over-penalized, while potentially catastrophic shifts in high-probability tokens are under-constrained, leading to training inefficiency and instability. To address this, we propose Divergence Proximal Policy Optimization (DPPO), which substitutes heuristic clipping with a more principled constraint based on a direct estimate of policy divergence (e.g., Total Variation or KL). To avoid huge memory footprint, we introduce the efficient Binary and Top-K approximations to capture the essential divergence with negligible overhead. Extensive empirical evaluations demonstrate that DPPO achieves superior training stability and efficiency compared to existing methods, offering a more robust foundation for RL-based LLM fine-tuning. Our code is available at https://github.com/sail-sg/Stable-RL.

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25.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.14737

Learning Topological Representations for Molecular Dynamics

作者:

Dominik Geng↗Florian Graf↗Martin Uray↗Roland Kwitt↗

arXiv:2606.14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings. Designing descriptors that are both expressive and broadly applicable, however, remains challenging. We study persistent homology (PH) as a general-purpose representation for MD and introduce the masked Flood complex, a protein-tailored modification of a recently introduced simplicial complex construction that emphasizes inter-residue structure at low computational cost. Vectorized persistence diagrams then provide information-rich, geometry-aware summaries of protein conformations, which we evaluate on protein class prediction, frame-level observable regression, and Markov state model (MSM) estimation from learned low-dimensional coordinates in a single shared representation space. Results on the mdCATH dataset show that PH-based descriptors are competitive across tasks, with masked Flood PH yielding the most consistent overall performance. Further, when using topologically-informed MSMs as a drop-in replacement within the recent MarS-FM framework for generative modeling of protein conformations, we obtain consistently better ensemble statistics than MSMs based on physical observables. Finally, we explore the transferability of the generative model to qualitatively different, fast folding, proteins.

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