#01Aug 27, 2026
cs.AI
Mechanistic Reaction Prediction via Discrete Flow Matching on Graph-Structured Electron Occupation
Nguyen Xuan-Vu, Octavian Susanu, Daniel Armstrong and 1 more
Chemical reactions are fundamentally transformations in electron space, yet most machine learning approaches model them either through \textit{de novo} generation of product molecules or through heuristic graph edits that operate directly on molecular topology. We introduce MAELLE (\textbf{M}ech\textbf{A}nistic \textbf{E}dit f\textbf{L}ow-matching on e\textbf{L}ectron r\textbf{E}arrangements), which instead models reactions as discrete flow matching over electron occupation vectors. Concretely, we formulate the reactant-to-product mapping as a Continuous-time Markov Chain (CTMC) over the graph-structured integer-valued electron occupation space defined on all bonding, non-bonding, and hydrogen sites. To construct the intermediate edit trajectories, we generalize the discrete flow matching mixture path to discrete electron rearrangements using Optimal Transport, yielding a sequence of mechanistically interpretable edit moves without requiring elementary step annotations. MAELLE achieves competitive performance on the USPTO-480K benchmark compared with leading reaction prediction models. Beyond in-distribution accuracy, we evaluate robustness across two out-of-distribution settings - structural complexity and reaction type - and find that MAELLE maintains strong performance where existing methods degrade. Finally, because the learned flow operates over the full electron redistribution, MAELLE naturally recovers mechanistic trajectories that align with known chemistry and can predict side products of a reaction.
#02Aug 27, 2026
cs.CL
Your Voice Cloning System is Secretly a Voice Anonymizer
Romolo Muletta, Felix Matthias Saaro, Mark Cieliebak and 1 more
Speaker anonymization suppresses speaker-identifying attributes from speech while preserving linguistic content and quality. We propose repurposing XTTSv2, a multilingual voice cloning model trained on 27k hours of speech, for speaker anonymization without retraining. Our key insight is that XTTSv2's voice cloning capabilities preserve prosodic structure independently of speaker identity, enabling voice conversion by conditioning on a pseudo-speaker. We introduce an iterative refinement strategy that balances privacy and utility by maximizing a harmonic mean of speaker dissimilarity and intelligibility. Evaluated on seven European languages across CommonVoice and Multilingual LibriSpeech, our system achieves near-optimal privacy (EER $\approx$ 0.49), competitive intelligibility, and substantially better speech quality than dedicated anonymization baselines, while requiring no language-specific training. We release the code here: https://github.com/rm00cr/coqui-tts.
#03Aug 27, 2026
cs.AI
WikiSkill: Compiling Agent Experience into Persistent Knowledge for Skill Evolution
Liyan Tang, Cyrus Rashtchian, Chun-Sung Ferng and 3 more
Agent skills package specialized knowledge and workflows into reusable resources that extend AI agent capabilities. Recent work automatically discovers such skills from agent experience, which enables agents to progressively adapt through interaction. However, the insights that guide skill development typically remain scattered across optimization histories, limiting their systematic reuse across iterations. We introduce WikiSkill, a framework that co-evolves agent skills with a persistent knowledge base (wiki). At a high level, WikiSkill separates raw execution experience, accumulated knowledge, and executable skills, while continuously consolidating experience into the wiki, which subsequent skill updates can build on. Across diverse benchmarks and models, WikiSkill consistently outperforms state-of-the-art skill-evolution methods and improves over no-skill baselines in most model-benchmark settings. We find that skill evolution complements model scaling: larger models generally benefit more from evolved skills, while smaller models with skills can outperform substantially larger models without them. We also find that evolved skills transfer effectively across models and model families, and skills evolved by other models can outperform self-evolved skills. Finally, our ablation studies confirm that persistent knowledge accumulation in the wiki is critical for effective skill evolution. These results demonstrate the benefits of systematically accumulating and refining agent experience for developing reusable and transferable skills.
#04Aug 27, 2026
cs.CL
D2C-Routing: Dimension-to-Composition Evidence Routing for Mixed-Origin AI-Generated Text Detection
Xin Chen, Fuwei Zhang, Yiqi Tong and 3 more
AI-generated text detection is commonly framed as a binary document-level judgment about whether a text is human-written or machine-generated. This framing breaks down for mixed-origin writing, where content origin and expression origin may differ. We cast mixed-origin detection as dimension-to-composition source attribution, inferring content origin and expression origin before composing them into four collaboration types. We propose Dimension-to-Composition Routing (D2C-Routing), which routes content-side and expression-side evidence to supervised dimension heads before a learned gated composition layer predicts the final label. On MixD2C, a reconstructed split derived from the HART mixed-origin benchmark, our disclosed D2C-Routing-based detector system reaches 0.8603 four-way Avg TPR@1%FPR, 6.5 points above the same-split RACE-local rerun. Core ablations support the routing design, while error analysis shows that distinguishing AI-content/human-expression from fully AI-generated text remains the hardest boundary. Code is available at https://github.com/bystander563/d2c-routing-artifact.
#05Aug 27, 2026
cs.CV
KnockGS:interaction-Grounded Calibrationof Physical Gaussian Representations
Chenchen Ge, Hanwen Shen, Bowen Jing and 6 more
Physics-integrated 3D Gaussian representations now allow reconstructed deformable objects to be simulated and rendered under explicit material models. Existing pipelines, however, assume that material parameters are known or manually specified, limiting their applicability when these parameters must be inferred from observed object dynamics. We propose KnockGS, an interaction-response PhysicalGS framework that estimates the elasticity and density scales of a 3D Gaussian object from its dynamics under a known applied force. Rather than treating physical simulation only as a forward process, we turn the force-induced response into a calibration signal: temporal response features are xtracted from the observed dynamics, the two material scales are estimated from those features, and the estimate is then frozen and written back into the same simulator so that it can be tested on an interaction it was never fitted to.We evaluate the framework on both parameter recovery and response-level fidelity. The estimated scales are compared against hidden ground truth, and the re-simulated object is measured against the target using 3D particle trajectories, response-curve statistics, and rendered-frame quality. Across five held-out material targets, our method recovers the scales substantially more accurately than response retrieval, global regression, or a fixed default material, and the frozen estimate remains predictive under interactions that differ in direction and in magnitude. Interaction response therefore carries enough information to calibrate material scales in physically grounded 3D Gaussian representations.Our study is a first step toward interactive PhysicalGS systems that calibrate a Gaussian asset whose rendered appearance and simulated response are consistent.