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01.

arXiv (CS.CL) 2026-06-18 DOI: arXiv:2606.18941

Graph-ESBMC-PLC: Formal Verification of Graphical PLCopen XML Ladder Diagram Programs Using SMT-Based Model Checking

作者:

Pierre Dantas↗Lucas Cordeiro↗Waldir Junior↗

PLCopen XML defines two encoding formats for IEC 61131-3 Ladder Diagram programs: a textual encoding using elements, and a graphical encoding that represents rung logic as a directed graph of localId/refLocalId connections. ESBMC-PLC supported the textual format but parsed graphical exports from CONTROLLINO, Beremiz, and OpenPLC Editor into an empty GOTO intermediate representation, causing vacuous verification success. This paper presents Graph-ESBMC-PLC, which closes this gap with a DFS-based graphical LD resolver. The resolver traverses the connection graph from leftPowerRail to each coil, extracts rung paths as Boolean contact conjunctions, and applies a three-tier I/O inference scheme. Ordering coils by rightPowerRail connectionPointIn sequence ensures SET coils process before RESET coils, matching IEC scan-cycle semantics. The graphical-to-IR conversion leaves the ESBMC backend unchanged. Validation on 3 graphical LD programs from CONTROLLINO/OpenPLC Editor shows all produce full GOTO IR with nondeterministic inputs and rung logic, versus the empty IR previously. All 3 verify SAFE at k=2 under 70ms. The 11 textual LD benchmarks are fully preserved, with no regression. Two Beremiz examples with no LD content or unsupported timer semantics are reported as discovered limitations. Artifact at Zenodo (DantasCordeiro2026graphical, doi:10.5281/zenodo.20699856).

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02.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.14977

Identification and Inference for Algorithmic Frontiers with Selective Labels

作者:

Yiqi Liu↗Francesca Molinari↗Amilcar Velez↗

arXiv:2606.14977v1 Announce Type: cross Abstract: This paper provides identification results to characterize a fairness-accuracy (FA) frontier, and statistical inference tools to test hypotheses and build a confidence set for the FA-frontier, when outcomes are observed only for selected individuals. When the selection process is unrestricted but loss is measured in specific ways, we provide a characterization of the sharp identification region of the FA-frontier. Under an assumption of unconfoundedness conditional on observables (and unrestricted loss functions), we obtain point identification and propose a debiased machine learning estimator, derive its asymptotic distribution, and show how this can be used to carry out inference for the FA-frontier. In work in progress, we extend the partial identification results to a broader class of loss functions.

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03.

arXiv (CS.AI) 2026-06-24 DOI: arXiv:2606.24472

G$^3$VLA: Geometric inductive bias for Vision-Language-Action Models

作者:

Yue Peng↗Yongzhe Zhao↗Artur Habuda↗Khuyen Pham↗Yanheng Zhu↗Tran Nguyen Le↗Fares Abu-Dakka↗Li Guo↗

arXiv:2606.24472v1 Announce Type: cross Abstract: Vision-language-action (VLA) models have made rapid progress in generalist robot manipulation by harnessing semantic knowledge from pretrained vision-language backbones, but their visual tokens remain grounded in 2D image coordinates rather than the calibrated geometry of the robot's cameras – a mismatch especially pronounced in multi-camera setups, where views are coupled by known intrinsics and extrinsics yet processed as independent images. We propose G$^3$VLA, a camera-aware geometric module that injects calibrated structure into the visual-token stream of a pretrained VLA without altering its action space or imitation objective, combining intrinsic-conditioned ray embeddings, projective positional encoding (PRoPE), and bidirectional cross-view fusion. Geometric supervision is provided either from ground-truth point maps when available, or from confidence-gated $\pi^3$X teacher predictions, requiring no depth sensors or manual annotations. Instantiated on $\pi_0$, G$^3$VLA yields consistent gains across the LIBERO suites, RoboCasa24, RoboTwin2.0, and real-robot settings, with the largest improvements on spatially and object-sensitive tasks. We further validate on $\pi_{0.5}$ and GR00T 1.5, with results suggesting that geometric transfer is most effective when geometry-aware tokens have direct access to the action generation pathway. Our project page is at https://sites.google.com/view/g3vla

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04.

arXiv (CS.AI) 2026-06-11 DOI: arXiv:2606.12382

SPEA2$^+$: Improved Density Estimation in SPEA2 with Provable Runtime Guarantees

作者:

Duc-Cuong Dang↗Andre Opris↗Dirk Sudholt↗

arXiv:2606.12382v1 Announce Type: cross Abstract: The Strength Pareto Evolutionary Algorithm 2 (SPEA2) is a popular and prominent evolutionary algorithm for solving multi-objective optimisation problems. Despite its popularity, theoretical analyses of SPEA2 have only appeared recently. Moreover, these analyses focus exclusively on how SPEA2 handles non-dominated solutions and disregard the algorithmic components responsible for handling dominated solutions. We conduct a first runtime analysis of SPEA2 for which these components are analysed. We prove that, unlike other prominent algorithms, including NSGA-II, NSGA-III and SMS-EMOA under the same setting of constant population size and duplicate elimination, SPEA2 is unable to cover the Pareto front of the OneTrapZeroTrap benchmark efficiently. Our results indicate that using k-th nearest-neighbour distance in the fitness assignment provides an insufficient signal to maintain diversity among dominated individuals. To address this issue, we propose an improved variant, SPEA2$^+$, that considers all pairwise distances. The new algorithm achieves the same performance guarantees as the other prominent algorithms on OneTrapZeroTrap, while matching the performance of the original SPEA2 on simpler problems. Experimental results complement our theoretical findings.

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05.

bioRxiv (Bioinfo) 2026-06-13 DOI: HASH:c187c4d982314756581de29666f52dc0

ProtAff: Protein Binding Affinity Prediction via LoRA-Finetuned ESM-2

作者:

Chu↗L.-S↗Vogt↗Chungyoun↗Gray↗J. J↗

Predicting the binding affinity of protein–protein interactions remains a central challenge in computational biology. Structure prediction models such as AlphaFold3 (AF3) and Boltz-2 can produce high-quality docking poses, and their confidence scores indicate structure quality, but these same scores fail to rank binding affinity among confirmed binders. Here we present ProtAff, a sequence-only affinity prediction model built on ESM-2 (650M parameters) with low-rank adaptation (LoRA) fine-tuning and a cross-attention module. ProtAff is trained using a margin ranking loss on 362,567 affinity measurements spanning 20 heterogeneous data sources, and we removed all training samples whose target sequence exceeds 50% similarity to the test target EGFR. On the AdaptyvBio EGFR benchmark (N = 55), ProtAff achieves a Spearman correlation coefficient {rho} = 0.413, outperforming the best AF3 metric ({rho} = 0.054), the best Boltz-2 metric ({rho} = -0.046), and ML-based predictors MINT ({rho} = 0.242) and CrossAffinity ({rho} = 0.216). Applied to the AdaptyvBio Nipah virus binder design competition, a pipeline incorporating ProtAff for affinity ranking produced a design with KD = 0.132 nM (2 of 5 designs confirmed binding), a 2.8-fold improvement over the competition winner. On a cross-target discrimination benchmark of 91 VHH-antigen crystal structures, ProtAff underperforms structural methods for distinguishing cognate from non-cognate pairings, indicating that sequence-based affinity models are effective for within-target ranking but not for cross-target specificity.

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06.

arXiv (CS.CL) 2026-06-12 DOI: arXiv:2606.10403

KCSAT-ML: Probing Reasoning Models with Nationwide-Cohort Human Difficulty

作者:

Sanghee Park↗Geewook Kim↗Kee-Eung Kim↗

Math reasoning benchmarks have proliferated, yet most lack a per-item difficulty signal grounded in actual human performance. We introduce KCSAT-ML, a decade (2014-2025) of Korean College Scholastic Ability Test (KCSAT; Suneung) mathematics: 664 problems with a 339-item core set carrying official per-item error rates from nationwide cohorts of hundreds of thousands of examinees. We pair the benchmark with Difficulty-aligned Reasoning Gain (DRG): a score-orthogonal metric that asks whether a model's mistakes concentrate on the items humans found hard, or on items humans found easy. Together they expose, across a wide range of VLMs (and LLMs via OCR), three patterns: (i) low-budget accuracy collapses on the high-human-error tail at every model size; (ii) test-time scaling (TTS) raises token use roughly linearly with cohort error rate, while accuracy gains follow a non-monotonic curve; (iii) within a single family, TTS flips between anti-scaling on the hardest items and overthinking on easier ones – two faces of the same alignment failure. On DRG, models with near-identical accuracy can sit at near-opposite values: one model gets wrong what humans also find hard, while another solves the hardest items yet fails on items humans find easy – a contrast that aggregate accuracy hides. Our code and dataset builder will be open-sourced at https://github.com/naver-ai/KCSAT-ML.

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07.

arXiv (CS.CL) 2026-06-17 DOI: arXiv:2606.18142

Your AI Travel Agent Would Book You a Bullfight: An Agentic Benchmark for Implicit Animal Welfare in Frontier AI Models

作者:

Jasmine Brazilek↗Oliver Tulio↗Joel Christoph↗Miles Tidmarsh↗Carol Kline↗Arturs Kanepajs↗

AI agents are moving from advisors to actors, booking travel, planning menus, and running procurement on behalf of users. Existing benchmarks for AI and animal welfare evaluate model text responses to question-answer prompts, leaving open whether the welfare reasoning surfaced in those responses transfers to agentic deployment where the model must take actions with tools. We introduce TAC (Travel Agent Compassion), the first agentic benchmark measuring whether AI agents avoid options involving animal exploitation when acting on behalf of users. TAC presents an AI agent with twelve hand-authored travel booking scenarios across six categories of animal exploitation, augmented to forty-eight samples to control for price, rating, and position confounds. We evaluate seven frontier models from four labs. Every model scores below the chance level of sixty-four percent, with the best performer (Claude Opus 4.7) at fifty-three percent. A single welfare-aware sentence in the system prompt yields gains of forty-seven to sixty-three percentage points in Claude and GPT-5.5, twenty-six points in GPT-5.2, and under twelve points in DeepSeek and Gemini. An auxiliary Inspect Scout audit of 288 base-condition transcripts from the top two performers, using Gemini 2.5 Flash Lite as judge, flags zero transcripts for evaluation awareness, suggesting the below-chance rates do not stem from the models recognising the evaluation. We discuss implications for category-level variation across cultural domains, the limits of text-response welfare benchmarks, and the EU General-Purpose AI Code of Practice systemic risk framework.

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08.

Nature (Science) 2026-06-08 DOI: HASH:b668af98046823dffece192b417abdf5

Targeting Cancer-Specific Mutations with RNA-Triggered Chromatin Shredding

作者:

Jingkun Zeng↗

Genetic mutations that drive cancer often occur in tumor suppressor proteins, including the p53 transcription factor which is altered in ~40-50% of cases1,2. However, current therapies fail to target most such mutations because the mutant proteins typically lack defined drug-binding pockets, and restoring the endogenous function has proven challenging. Here, we programmed CRISPR-Cas12a2, an RNA-guided nuclease with trans-nucleolytic cleavage activities3,4, to selectively kill cancer cells by targeting cancer-specific transcripts. This approach limits cell growth by inducing trans shredding of chromatin, triggering DNA damage responses and cell death. Unlike existing methods, RNA-guided Cas12a2 senses cellular RNA signatures, enabling precise targeting of undruggable mutations. Transcript-activated chromatin shredding provides a new approach to precision disease treatments for undruggable targets.

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09.

arXiv (CS.LG) 2026-06-19 DOI: arXiv:2511.04514

Linear Mode Connectivity under Data Shifts for Deep Ensembles of Image Classifiers

作者:

C. Hepburn↗T. Zielke↗A. P. Raulf↗

arXiv:2511.04514v2 Announce Type: replace Abstract: The phenomenon of linear mode connectivity (LMC) links several aspects of deep learning, including training stability under noisy stochastic gradients, the smoothness and generalization of local minima (basins), the similarity and functional diversity of sampled models, and architectural effects on data processing. In this work, we experimentally study LMC under data shifts and identify conditions that mitigate their impact. We interpret data shifts as an additional source of stochastic gradient noise, which can be reduced through small learning rates and large batch sizes. These parameters influence whether models converge to the same local minimum or to regions of the loss landscape with varying smoothness and generalization. Although models sampled via LMC tend to make similar errors more frequently than those converging to different basins, the benefit of LMC lies in balancing training efficiency against the gains achieved from larger, more diverse ensembles. Code and supplementary materials are available at https://github.com/DLR-KI/LMC. This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessible.

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10.

arXiv (CS.CL) 2026-06-24 DOI: arXiv:2505.18542

Business as Rulesual: A Benchmark and Framework for Business Rule Flow Modeling with LLMs

作者:

Chen Yang↗Ruping Xu↗Ruizhe Li↗Bin Cao↗Jing Fan↗

Extracting structured procedural knowledge from unstructured business documents is a critical yet unresolved bottleneck in process automation. While prior work has focused on extracting linear action flows from instructional texts, such as recipes, it has insufficiently addressed the complex logical structures, including conditional branching and parallel execution, that are pervasive in real-world regulatory and administrative documents. Furthermore, existing benchmarks are limited by simplistic schemas and shallow logical dependencies, restricting progress toward logic-aware large language models.To bridge this Logic Gap, we introduce BREX, a carefully curated benchmark comprising 409 real-world business documents and 2,855 expert-annotated rules. Unlike prior datasets centered on narrow service scenarios, BREX spans over 30 vertical domains, covering scientific, industrial, administrative, and financial regulations. We further propose ExIde, a structure-aware reasoning framework that investigates five distinct prompting strategies, ranging from implicit semantic alignment to executable grounding via pseudo-code generation. This enables explicit modeling of rule dependencies and provides an out-of-the-box framework for different business customers without finetuning their own large language models. We benchmark ExIde using 13 state-of-the-art large language models. Our extensive evaluation reveals that executable grounding serves as a superior inductive bias, significantly outperforming standard prompts in rule extraction. In addition, reasoning-optimized models demonstrate a distinct advantage in tracing long-range and non-linear rule dependencies compared to standard instruction-tuned models.

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11.

arXiv (CS.AI) 2026-06-17 DOI: arXiv:2606.17127

Agentic Discovery of Non-Canonical Antimicrobial Peptides with AMPGAN v3

作者:

Jay Jung↗Xiaohan Zhang↗Shenghan Song↗Mahmoud Sayedahmed↗Chijian Xiang↗Yunong Xu↗Ahmed AbdelKhalek↗Severin T. Schneebeli↗Matthew J. Wargo↗Jianing Li↗Safwan Wshah↗

arXiv:2606.17127v1 Announce Type: cross Abstract: Antimicrobial resistance causes to over a million deaths annually. Antimicrobial peptides (AMPs) are a promising solution, but generative AMP models are not yet ready to design peptides with non-natural amino acids and/or chemical modifications, which are essential for real-world peptide drugs. We present AMPGAN v3, a multi-objective conditional GAN that expands the generative vocabulary to D-amino acids and N/C-terminus modifications such as amidation. By separating adversarial and activity-aware supervision across two specialized discriminators, AMPGAN v3 substantially improves training stability and outperforms prior generative AMP models on external classifiers. We validated five candidates spanning three structural classes in vitro; two showed activity against Gram-positive strains, with the best candidate reaching MIC 8 {\mu}g/mL against B. subtilis. To support downstream curation, we further present PepCraft, a multi-agent framework for end-to-end AMP discovery in which a Planning Agent orchestrates specialized executors for generation, filtering, and verification. Its prioritization recommendations align with our in vitro outcomes. Together, these contributions let us examine, on a small but real scale, how generative and agentic AI compose in therapeutic peptide discovery. Code: https://github.com/marszzibros/AMPGANv3

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12.

arXiv (CS.LG) 2026-06-16 DOI: arXiv:2606.16341

Filtered ANN as a Phase Transition: When Selectivity-Estimation Error Causes Plan Regret

作者:

Madhulatha Mandarapu↗Sandeep Kunkunuru↗

arXiv:2606.16341v1 Announce Type: new Abstract: A filtered approximate-nearest-neighbor (ANN) query returns the k nearest vectors among those satisfying an attribute predicate P of selectivity s. The best execution strategy – pre-filter, post-filter, or in-filter – changes with s, so a system must estimate s and choose. We model this as an argmax over a landscape with phases (regions where each strategy wins) separated by boundaries, and show that selectivity-estimation error produces plan regret – recall lost versus the oracle strategy – only in the critical regions around those boundaries. The regret is a wedge of log-width equal to the multiplicative estimation error epsilon and height equal to the local cliff |V'(s*)| epsilon; the flip-margin 1/|V'(s*)| is the condition number of a sibling cardinality-estimation study reappearing as the local boundary theory. The two phase boundaries follow from independent mathematics: order statistics place the post-filter cliff at s ~ k/K, and site percolation places the in-filter cliff at s_c ~ 0.83/M for graph degree M (corpus-size independent). Criticality exists only under a constrained budget B < sqrt(k n). Under pre-registered decision rules we confirm, on synthetic sweeps and real SIFT1M, that regret concentrates ~290x at the boundary and that the regret curves obey a finite-size scaling collapse onto one universal wedge across two decades of corpus size. A real approximate index does not mis-locate the boundary, but a biased cost model opens a persistent miscalibration band that estimation-error robustness cannot fix. The contribution is a characterization, not a new index. Code and the full pre-registration are public.

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13.

arXiv (CS.CL) 2026-06-11 DOI: arXiv:2606.11744

Hey Chat, Can You Teach Me? Structuring Socratic Dialogue for Human Learning in the Wild

作者:

Sidney Tio↗Arunesh Sinha↗Pradeep Varakantham↗

Large language models are now widely used for everyday learning, but the underlying interactions are typically unstructured chats rather than following a curriculum. Unlike formal online learning systems, these interactions carry no prior record of the student, so any estimate of what the student already knows must be inferred from the dialogue itself. We show that this gap is not closed by scaling models alone. Frontier and education-tuned LLMs perform poorly when asked to tutor a student over an extended session, because doing so requires three things at once. The tutor must sequence a curriculum, conduct Socratic dialogue, and infer the student's knowledge state from that dialogue. We propose separating these responsibilities. Given a student query, our system constructs a prerequisite knowledge graph in which subtopics are nodes and dependencies are edges, and frames tutoring as deciding which node to teach next and how many dialogue turns to spend on it before moving on. A lightweight PPO policy handles this sequencing decision, while an LLM conducts the Socratic exchange at the chosen node and returns a signal of student progress. Across held-out STEM and non-STEM topics, our PPO-paired tutor outperforms heuristic baselines, frontier general-purpose models, and a model specialised for Socratic dialogue: on both the rate at which students reach full curriculum mastery and the number of turns required. Explicit curriculum structure delivers gains that scaling the underlying model does not.

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14.

arXiv (CS.AI) 2026-06-12 DOI: arXiv:2606.13669

Agents-K1: Towards Agent-native Knowledge Orchestration

作者:

Zongsheng Cao↗Bihao Zhan↗Jinxin Shi↗Jiong Wang↗Fangchen Yu↗Zhijie Zhong↗Zijie Guo↗Tianshuo Peng↗Zhuo Liu↗Yi Xie↗Xiang Zhuang↗Yue Fan↗…

arXiv:2606.13669v1 Announce Type: new Abstract: Current LLM-based research agents have advanced through agent orchestration, yet largely overlook scientific knowledge orchestration. Existing works often reduce papers to abstracts, surface mentions, and flat \texttt{cites} edges, omitting key entities, claims, evidence, mechanisms, and method lineages essential for scientific reasoning. To this end, we introduce Agents-K1, an end-to-end knowledge orchestration pipeline that converts raw documents into agent-native scientific knowledge graphs. Agents-K1 integrates three components under a unifying theoretical foundation: a multimodal parser whose five-module schema captures entities, multimodal evidence, citations, and typed inter-entity relations across the full paper rather than abstracts alone; a 4B information-extraction backbone trained with GRPO under a rule-based reward; and a graphanything CLI, a tri-source agent interface that unifies web search, multimodal graph retrieval, and cross-document traversal. On top of this, we process 2.46 million scientific papers across six subjects to produce Scholar-KG, of which we release a one-million-paper subset, and the full Scholar-KG is accessible via the SCP link below. The same pipeline can be extended to general-domain corpora and to schema-conformant data synthesis. Extensive experiments demonstrate that Agents-K1 achieves superior performance in scientific information extraction, knowledge graph construction, and multi-hop scientific reasoning.

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15.

arXiv (CS.CV) 2026-06-17 DOI: arXiv:2602.03300

R1-SyntheticVL: Is Synthetic Data from Generative Models Ready for Multimodal Large Language Model?

作者:

Jingyi Zhang↗Tianyi Lin↗Huanjin Yao↗Xiang Lan↗Shunyu Liu↗Jiaxing Huang↗

In this work, we aim to develop effective data synthesis techniques that autonomously synthesize multimodal training data for enhancing MLLMs in solving complex real-world tasks. To this end, we propose Collective Adversarial Data Synthesis (CADS), a novel and general approach to synthesize high-quality, diverse and challenging multimodal data for MLLMs. The core idea of CADS is to leverage collective intelligence to ensure high-quality and diverse generation, while exploring adversarial learning to synthesize challenging samples for effectively driving model improvement. Specifically, CADS operates with two cyclic phases, i.e., Collective Adversarial Data Generation (CAD-Generate) and Collective Adversarial Data Judgment (CAD-Judge). CAD-Generate leverages collective knowledge to jointly generate new and diverse multimodal data, while CAD-Judge collaboratively assesses the quality of synthesized data. In addition, CADS introduces an Adversarial Context Optimization mechanism to optimize the generation context to encourage challenging and high-value data generation. With CADS, we construct MMSynthetic-20K and train our model R1-SyntheticVL, which demonstrates superior performance on various benchmarks.

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16.

arXiv (quant-ph) 2026-06-16 DOI: arXiv:2606.15803

Quantum vortex in a fluid flow: negative effective mass and a novel mechanism for turbulence formation

作者:

S. V. Talalov↗

arXiv:2606.15803v1 Announce Type: cross Abstract: We explore the movement of a thin, circular quantum vortex filament within an infinite cylindrical pipe. The fluid surrounding the vortex ring moves through the pipe at a non-zero velocity denoted by $v$. Our study examines the energy spectrum $E = E(p)$, where $p$ represents the total momentum of a vortex ring. We have demonstrated that the function $E(p)$ significantly depends on the velocity $v$. The discovered spectrum $E(p)$ reveals the existence of states with both negative and extremely large effective masses. We also explored the hypothesis regarding the existence of coupled vortex pairs possessing finite summary effective masses. Every pair consists of vortices that possess both positive and negative masses, with the magnitude of these masses being unrestricted. In our model, the criterion for the appearance of these states is based on comparing two numbers. The first is seen as a quantum counterpart to the Reynolds number, while the second represents its critical value for a flow with a single vortex. We also explore how this studied effect might contribute to the emergence of quantum turbulence. This study discusses a method for determining the critical Reynolds number in quantum turbulence, using the proposed model as a framework. Here, we use a new quantization technique for classical closed vortex filaments developed by the author earlier.

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17.

arXiv (quant-ph) 2026-06-24 DOI: arXiv:2606.24723

Rotational Vacuum Friction of Nonabsorbing Particles

作者:

F. Javier Garc\'ia de Abajo↗Alejandro Manjavacas↗

arXiv:2606.24723v1 Announce Type: new Abstract: A nonabsorbing particle rotating in vacuum can lose angular momentum only by converting mechanical energy into electromagnetic radiation. Here, we develop a quantum theory of rotational vacuum friction for small lossless particles and show that axial symmetry qualitatively changes the leading dissipation channel. At zero temperature, the frictional torque scales as $M\propto\Omega^7$ with rotation frequency $\ Omega$ in anisotropic particles due to the emission of correlated photon pairs whose frequencies sum to $2\Omega$, while a contribution to the torque linear in $\ Omega$ is found at finite temperature. In contrast, axisymmetric particles are protected against photon-assisted friction regardless of temperature.

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18.

arXiv (CS.AI) 2026-06-18 DOI: arXiv:2606.19152

AdsMind: A Physics-Grounded Multi-Agent System for Self-Correcting Discovery of Adsorption Configurations on Heterogeneous Catalyst Surfaces

作者:

Zongmin Zhang↗Yuyang Lou↗Bowen Zhang↗Junwu Chen↗Ryo Kuroki↗Xuan Vu Nguyen↗Edvin Fako↗Lixue Cheng↗Philippe Schwaller↗

arXiv:2606.19152v1 Announce Type: cross Abstract: Identifying the lowest-energy surface-adsorbate configuration is critical for modeling heterogeneous catalysis, yet exhaustive exploration with ab initio calculations is computationally prohibitive. Machine-learning force fields (MLFFs) accelerate structural relaxation but leave the search over the vast configurational space a major bottleneck, and open-loop large language model (LLM) agents lack a physics-grounded feedback mechanism to correct erroneous initial guesses. We propose AdsMind (Adsorption configuration discovery with Machine intelligence and relaxation feedback), a closed-loop multi-agent framework that enables autonomous error correction through MLFF relaxation feedback. Across four LLM backends, AdsMind achieves consistently high search reliability, with success rates of 100% and 98.8% on the benchmarks AA20 and OCD-GMAE62. Relative to its single-pass (1-Shot) ablation it reduces cross-backend energy dispersion, and it uses only 4.11 and 4.67 MLFF relaxations per case, respectively – an approximately 14-fold reduction over heuristic enumeration baselines. Density functional theory (DFT) validation using VASP/PBE on six representative AA20 systems shows that the reported open-loop Adsorb-Agent outputs exhibit qualitative adsorption-energy sign errors for molecular adsorbates, whereas AdsMind preserves the correct sign in all tested cases with closer quantitative agreement. AdsMind thus delivers reliability, self-reflection, and interpretability simultaneously, supporting more DFT-informed autonomous chemistry workflows.

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19.

arXiv (CS.CV) 2026-06-24 DOI: arXiv:2605.11567

Dynamic Execution Commitment of Vision-Language-Action Models

作者:

Feng Chen↗Xianghui Wang↗Yuxuan Chen↗Boying Li↗Yefei He↗Zeyu Zhang↗Yicheng Wu↗

Vision-Language-Action (VLA) models predominantly adopt action chunking, i.e., predicting and committing to a short horizon of consecutive low-level actions in a single forward pass, to amortize the inference cost of large-scale backbones and reduce per-step latency. However, committing these multi-step predictions to real-world execution requires balancing success rate against inference efficiency, a decision typically governed by fixed execution horizons tuned per task. Such heuristics ignore the state-dependent nature of predictive reliability, leading to brittle performance in dynamic or out-of-distribution settings. In this paper, we introduce A3, an Adaptive Action Acceptance mechanism that reframes dynamic execution commitment as a self-speculative prefix verification problem. A3 first computes a trajectory-wise consensus score of actions via group sampling, then selects a representative draft and prioritizes downstream verification. Specifically, it enforces: (1) consensus-ordered conditional invariance, which validates low-consensus actions by judging whether they remain consistent when re-decoded conditioned on high-consensus actions; and (2) prefix-closed sequential consistency, which guarantees physical rollout integrity by accepting only the longest continuous sequence of verified actions starting from the beginning. Consequently, the execution horizon emerges as the longest verifiable prefix satisfying both internal model logic and sequential execution constraints. Experiments across diverse VLA models and benchmarks demonstrate that A3 eliminates the need for manual horizon tuning while achieving a superior trade-off between execution robustness and inference throughput.

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20.

arXiv (CS.AI) 2026-06-12 DOI: arXiv:2606.12721

The Theory of Mind Utility: Formal Specification of a Mentalizing Mechanism

作者:

Nikolos Gurney↗Stacy Marsella↗

arXiv:2606.12721v1 Announce Type: new Abstract: Inferring others' beliefs requires more than reading surface signals; it requires tracking who told them what, in what order, and how credibly. The Theory of Mind Utility (ToM-U) formalizes this epistemic state inference problem at the computational level of analysis, specifying what mentalizing computes and why without commitment to algorithmic or neural implementation. ToM-U achieves this by constructing Local Epistemic World Models (LEWMs) – directed typed graphs that represent agents, state nodes, and the epistemic relationships among them – and evaluating discrete candidate LEWMs against observed behavior until one achieves sufficient confidence. Five formal definitions specify the LEWM structure, agent node properties including ordered information access history, a bounded proliferation mechanism for recursive mentalizing, three inference procedures, and a residue function that captures the structured trace left by failed mentalizing attempts. ToM-U differs from Bayesian Theory of Mind and adjacent formal accounts, which presuppose rather than derive belief states, and from simulation theory and theory-theory, which lack a formal apparatus for epistemic state inference. The architecture generates directional, falsifiable predictions about mentalizing failure that follow from structural properties of the model rather than auxiliary assumptions, and positions ToM-U as a domain-agnostic mechanism upstream of goal inference and other downstream social cognitive processes.

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21.

arXiv (CS.CV) 2026-06-24 DOI: arXiv:2606.24740

BioMedVR: Confusion-Aware Mixture-of-Prompt Experts for Biomedical Visual Reprogramming

作者:

Jiaxiang Liu↗Tianxiang Hu↗Juwei Guan↗Yujie Wu↗Yusong Wang↗Yao Mu↗Zuozhu Liu↗Mingkun Xu↗

Recent advances in vision-language models (VLMs) such as CLIP have demonstrated strong generalization across natural-image domains. However, adapting these models to biomedical imaging is non-trivial: full-model fine-tuning is computationally expensive, while medical data are often scarce and exhibit subtle, fine-grained inter-class differences, making parameter-efficient adaptation particularly critical. Visual Reprogramming (VR) offers a parameter-efficient alternative by injecting learnable perturbations into the input space, but existing VR approaches for VLMs mainly focus on positive class prompts and overlook confusing negatives, leading to miscalibrated predictions in fine-grained medical scenarios. We present BioMedVR, the first VR-based framework for biomedical imaging, enabling few-shot adaptation of pretrained VLMs through compact learnable VR modules. To mitigate class confusion, we introduce a Confusion Minimization Mechanism that leverages LLM-generated confusion-aware attributes together with a Confusion-Suppression Loss to explicitly reduce false-positive alignment. Moreover, the designed Mixture-of-Prompt Experts combines a positive expert for main-class discrimination and a negative expert for confusion suppression, balanced via adaptive gating. Extensive experiments on 18 datasets, including 11 biomedical datasets and 7 natural image benchmarks, demonstrate that BioMedVR achieves superior accuracy and generalization, effectively bridging VR and VLMs in biomedical domains.

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22.

arXiv (CS.CL) 2026-06-24 DOI: arXiv:2509.03647

Breaking the Mirror: Activation-Based Mitigation of Self-Preference in LLM Evaluators

作者:

Dani Roytburg↗Matthew Bozoukov↗Matthew Nguyen↗Jou Barzdukas↗Simon Fu↗Narmeen Oozeer↗

Large language models (LLMs) increasingly serve as automated evaluators, yet they suffer from "self-preference bias": a tendency to favor their own outputs over those of other models. This bias undermines fairness and reliability in evaluation pipelines, particularly for tasks like preference tuning and model routing. We investigate whether lightweight steering vectors can mitigate this problem at inference time without retraining. We introduce a curated dataset that distinguishes self-preference bias into justified examples of self-preference and unjustified examples of self-preference, and we construct steering vectors using two methods: Contrastive Activation Addition (CAA) and an optimization-based approach. Our results show that steering vectors can reduce unjustified self-preference bias by up to 97\%, substantially outperforming prompting and direct preference optimization baselines. Yet steering vectors are unstable on legitimate self-preference and unbiased agreement, implying self-preference spans multiple or nonlinear directions. This underscores both their promise and limits as safeguards for LLM-as-judges and motivates more robust interventions.

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23.

arXiv (CS.CL) 2026-06-15 DOI: arXiv:2606.14150

Small LLMs: Pruning vs. Training from Scratch

作者:

Yufeng Xu↗Taiming Lu↗Kunjun Li↗Jiachen Zhu↗Mingjie Sun↗Zhuang Liu↗

Pruning promises a shortcut to strong small language models. In this work, we examine this promise by pruning Llama-3.1-8B at pruning ratios of 0.5–0.8 with six methods spanning depth, width, and sparse granularities, under two controlled token-matched settings. (1) With the same training token budget, pruned initialization consistently outperforms random initialization. This shows that the parent model provides a strong starting point, although the advantage narrows as the training token budget grows and as the pruning ratio rises, nearly vanishing at the highest pruning ratio we study. (2) When training from scratch is instead given the full token budget consumed by the whole pipeline, pruning at finer granularities still retains an advantage, while coarser structured pruning can be matched or surpassed. This suggests that the parent model transfers knowledge that additional training tokens alone cannot fully recover, but only at fine granularity. Taken together, our results yield a clear recommendation: with a large pretrained model in hand and a limited training token budget, pruning is better than training from scratch; when the training budget is not limited, training from scratch can be competitive for coarser pruning, so a large pretrained parent is not always necessary.

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24.

arXiv (CS.AI) 2026-06-16 DOI: arXiv:2505.13986

RIDGECUT: Learning Graph Partitioning with Rings and Wedges

作者:

Qize Jiang↗Angelo Zangari↗Linsey Pang↗Alice Gatti↗Mahima Aggarwal↗Giovanna Vantini↗Xiaosong Ma↗Weiwei Sun↗Sourav Medya↗Sanjay Chawla↗

arXiv:2505.13986v4 Announce Type: replace-cross Abstract: Reinforcement learning (RL) has shown promise for combinatorial optimization problems on graphs by learning heuristics that generalize across instances. However, effectively incorporating domain knowledge into RL frameworks for graph partitioning remains challenging, as existing approaches typically rely on unconstrained node-level actions that lead to large action spaces and inefficient exploration. In this paper, we propose RidgeCut, an RL framework that constrains the action space to enforce structure-aware partitioning in the Normalized Cut problem. Using transportation networks as a motivating example, we introduce a novel concept that leverages domain knowledge about urban road topology – where natural partitions often take the form of concentric rings and radial wedges. By transforming the graph into linear or circular representations, our method enables the use of transformer-based policies and efficient learning via Proximal Policy Optimization. The resulting partitions from RidgeCut are not only aligned with expected spatial layouts but also achieve lower normalized cuts compared to existing methods. Experimental results on synthetic and real-world traffic graphs demonstrate that RidgeCut consistently outperforms existing methods while exhibiting strong inductive generalization across graph sizes. Although motivated by road networks, RidgeCut provides a general mechanism for embedding structural priors into RL frameworks for graph partitioning.

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25.

bioRxiv (Bioinfo) 2026-06-15 DOI: HASH:4adc642a6b5c2b9eaa9d82b3d5550031

Multi-platform reassessment of human mitochondrial DNA methylation reveals signals consistent with technical artifacts

作者:

Basrai↗Bahcheli↗A. T↗Tan↗Zuzarte↗P. C↗Bevan↗Chan↗Ng↗Lam↗Arruda↗Das↗…

The existence and functional relevance of mitochondrial DNA methylation remain controversial. Here, we systematically profiled cytosine methylation and hydroxymethylation across human brain and blood tissues spanning healthy and malignant states using orthogonal sequencing approaches that avoid chemical conversion during library preparation. While nuclear DNA exhibited canonical methylation patterns, mitochondrial DNA consistently showed negligible signal, indistinguishable from background technical noise. By mapping cytosine-guanine sites between mitochondrial DNA and nuclear-embedded mitochondrial sequences, we demonstrate the potential of these nuclear counterparts to confound not only cytosine methylation but also hydroxymethylation measurements, corroborating and extending prior findings implicating nuclear contamination as a potential source of apparent mitochondrial epigenetic signals. Additional technical factors that inflate apparent mtDNA methylation signals were identified, including sequence context biases, flow cell chemistries, and coverage-dependent discrepancies between the heavy and light strands. Collectively, these results provide convergent evidence against the presence of biologically meaningful cytosine methylation or hydroxymethylation in mitochondrial DNA. These findings caution against interpreting apparent mtDNA methylation signals in human adult tissues as meaningful without rigorous orthogonal validation and comprehensive consideration of technical and analytical confounding factors.

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