#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
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.
#03Aug 27, 2026
cs.RO
CLAP: Cross-Embodiment Video World Models are Zero-Shot Physical Simulators
Kechen Liu, Ola Shorinwa
State-of-the-art action-conditioned video models are typically restricted to a single robot embodiment, preventing them from leveraging the vast corpus of heterogeneous video data that contains rich signals for learning generalizable physics. To bridge this gap, we introduce CLAP, a framework for cross-embodiment action-conditioned video generation capable of being trained on diverse, internet-scale videos across human and robotic agents. CLAP is grounded in the insight that universal physical laws govern spatiotemporal dynamics regardless of the actor. However, cross-embodiment learning is non-trivial because action representations vary sharply across robot platforms and are typically absent in human videos. CLAP addresses this fundamental challenge through the following core contributions. First, CLAP reconciles disparate action spaces using end-effector poses, language instructions, and latent actions. Second, to resolve their individual limitations, CLAP introduces a curriculum-based cross-embodiment learning recipe that first learns foundational physical priors across unlabeled video data using latent actions and subsequently grounds them in end-effector action spaces for zero-shot deployment to real-world tasks. Crucially, CLAP approaches or surpasses state-of-the-art single-embodiment video models in challenging environments like DROID. These performance advantages compound via few-shot adaptation to establish a novel paradigm for training single-embodiment video world models. Ultimately, CLAP delivers the most comprehensive suite of action-conditioned video world models to date - spanning diverse action-conditioning spaces (end-effector, language, and latent) and robot morphologies (including cross-embodiment, DROID, Bridge, bimanual YAM robots, and G1 humanoids). We open-source all code and models. Project Website at https://omni-clap.github.io .
#04Aug 27, 2026
cs.SE
From Static to Dynamic: Benchmarking Real-World Code Review with MCR-Bench
Dewu Zheng, Yanlin Wang, Xiwen Wang and 5 more
In real-world software development, code review typically involves iterative interactions between developers and reviewers to improve software quality, making the process costly and time-consuming. Although recent work explores large language models (LLMs) for automated code review, most approaches oversimplify code review into a single-round, static decision task, which fails to capture the multi-round interactive nature and the complex problem-solving processes inherent in realistic review scenarios. To bridge this gap, we introduce MCR-Bench, the first defect state-aware benchmark designed for realistic multi-round code review. MCR-Bench covers five commonly-used programming languages and consists of 2,269 real-world multi-round code review tasks, each of which is annotated with fine-grained defect information and cross-round state labels. Each task in MCR-Bench is equipped with fine-grained defect metadata (e.g., description, type, severity) alongside dynamic state annotations, capturing the complete evolutionary trajectory of a defect throughout the multi-round process. We obtain several findings through extensive experiments on MCR-Bench with mainstream LLMs. (1) Limited overall capability: experiments reveal that mainstream LLMs exhibit limited overall performance in defect detection and defect lifecycle state tracking, with performance degrading significantly as the number of interaction rounds increases; (2) Defect-sensitive performance: LLMs' performance varies substantially across different defect types and severity levels, with semantically complex or low-salience defects being significantly more likely to be missed; (3) Underlying Failure Mechanisms: our in-depth error analysis dissects the distinct drivers of false positives and false negatives, revealing critical weaknesses such as cross-round temporal misalignment and inadequate long-range memory.
#05Aug 27, 2026
cs.AI
Learning a Continuous Sepsis Severity Score Without Hour-by-Hour Supervision: A Two-Site Retrospective Study
Kevin Zhu, Ryan Zhang, Baraa Abed and 18 more
Currently used sepsis severity indices rely on fixed variables and weights established decades ago, which are coarsely discretized and calibrated to a cohort that no longer reflects contemporary critical care. No alternative learned directly from patient trajectories is in routine use. We conducted a retrospective two-cohort study on a total of 29,116 and 7,691 adult patients meeting Sepsis-3 criteria from two hospital systems in Massachusetts and Georgie, respectively. We developed a sepsis index using 43 routinely charted variables over a 72-hour treatment window. Unlike previous studies, we use mortality as a treatment-level ranking signal rather than a per-state target, allowing credit to be redistributed non-uniformly across timesteps. Evaluation was done on a permanent 20% test holdout, using clinical vignettes and Spearman correlation. Uncertainty intervals were obtained by bootstrap resampling of whole patients. Under this ranking scheme, non-survivors scored 1.19-1.64 points higher than survivors on a 0-10 scale within all strata of baseline SOFA-2, with similar results stratifying within lactate, mean arterial pressure (MAP), and creatinine. Within-patient change in the index correlated with change in lactate (Spearman rho = 0.39; n = 1,854). Similar, weaker correlations were found for MAP and creatinine. On a cohort level, cross-institutional agreement measured by Spearman correlation between models trained on different sites, were 70-77% of same-site correlation. External within-patient correlations were 0.54 and 0.59 against ceilings of 0.92 and 0.90. Our index also correlated with established indices, while null controls stayed near zero. Our index demonstrated hourly prognostic information that meaningfully separates patient outcomes and is consistent with clinical expectation, indicating potential as a decision support tool complementing clinical judgement.