Marcel Müller, Mohammad Ghazi Vakili, Yoshihiro Ogura, Ella Ashoori, Shimeng Wang, Alessandro S. Nascimento, Eddie Calleja, Yutong Zhao 等 16 位作者
Computational drug discovery offers a growing range of tools for proposing and evaluating molecules, but combining them and deciding what to do next still requires substantial expert effort. Here, we introduce El Agente Fármaco, an AI scientist that uses modern large language model (LLM) technology to turn discovery goals expressed in everyday language into complex, scalable computational screening workflows. The agentic harness selects scientific tools, reviews their results, and adjusts subsequent steps to the target and the user's objectives. Our approach centers on a shared scientific memory: Fármaco Atlas, which stores molecules, structures, and results together with their provenance -- a record of how they were obtained. The agent uses targeted database queries to retrieve the evidence needed for each decision. A single request can launch calculations for an entire collection of molecules, without requiring a separate LLM decision for every compound. This design limits the information the model must process as screening collections grow, while keeping the underlying results available for inspection and further analysis. The integrated tools support molecule generation, prediction of binding and molecular properties, and searches for compounds available for purchase. In a retrospective comparison with an expert-led campaign, the agent proposed chemically distinct candidates with competitive docking scores and higher calculated drug-likeness under explicitly imposed selection criteria. In a 22-task benchmark against plain tool calls and Codex, the agent achieved the highest observed mean model-judged score, with lower median cumulative token use and peak context. Fármaco provides a foundation for flexible, scalable drug discovery workflows that connect scientific reasoning with an enduring, traceable record of computational work.
Jiangmeng Li, Jinglin Xu, Yi Li, Yumeng Liu, Jiahuan Zhou, Fanjiang Xu, Hui Xiong, Gang Hua
Multimodal test-time adaptation (TTA) enables pretrained multimodal models to accommodate distribution shifts during inference using only unlabeled test data, without recourse to the original training data. Compared with unimodal adaptation, multimodal adaptation is further complicated by the coexistence and interaction of multiple representation perspectives. This complexity is particularly pronounced under modality reliability shifts, which preserve modality availability but degrade information quality, and modality availability shifts, which render the corresponding modality entirely inaccessible. Category-conditional Gaussian modeling offers a natural starting point for handling such distributional variations, having proven effective in unimodal test-time adaptation for characterizing representation distributions, yet its extension to multimodal settings requires a more elaborate formulation. To this end, we propose Adaptive Probabilistic Gaussian Calibration (AdaPGC), which extends category-conditional Gaussian modeling across modality-specific and multimodal fusion representations for probabilistic calibration under multimodal distribution shifts. AdaPGC continuously updates category-conditional Gaussian models over modality-specific and fusion representations, using the resulting probabilistic predictions to calibrate source model predictions and guide reliability based rectification, while exploiting their joint distributions to recover unavailable fusion representations. Extensive experiments under diverse modality corruption and missingness conditions demonstrate that AdaPGC effectively improves robustness under both modality reliability and availability shifts. Our source code will be released at https://github.com/XuJinglinn/AdaPGC-plus.
BiliPicks documents seven years of Bilibili's Weekly Picks, a platform-curated editorial video series. The dataset covers 371 publicly listed issues and 13,758 curated videos from 22 March 2019 to 7 May 2026. It links issue dates, themes and editorial recommendations to video metadata, 47,799,657 top-level comments, 125,690,760 time-synchronised overlay comments (danmaku), and 13,739 cover images. Weekly issues provide a consistent unit for tracing changes in category composition, recurring creators and editorial framing. Corresponding comments and danmaku connect video-level discussion with audience expressions tied to particular moments, while covers add a visual dimension. We evaluate retrieval coverage and illustrate longitudinal analyses of selection, audience language and cover presentation. BiliPicks provides a dataset for future studies of platform curation, linking changes in published selections to their editorial framing and corresponding audience engagement.
Ke Zou, Nan Zhou, Tao Yang, Meng Liu, Linchao He, Zehui Liao, Ling Huang, Guangren Huang 等 12 位作者
Medical vision-language models (VLMs) show strong performance in radiology report generation (RRG) and medical visual question answering (Med-VQA), producing free-form clinical descriptions and answers from medical images. However, they may generate clinically meaningful statements that lack visual evidence or contradict image content. We refer to these errors as visually irrelevant hallucinations and investigate them at the phrase level. We propose CLEAR (Counterfactual Localized Evaluation of Alignment and Response), a model-agnostic post-hoc framework for phrase-level hallucination risk estimation. CLEAR decomposes generated responses into visually assessable clinical phrases. For each phrase, phrase-conditioned grounding identifies a candidate visual region, which is selectively perturbed by a localized counterfactual intervention. CLEAR characterizes the intervention using two complementary auditing cues: response cues, capturing semantic and clinically meaningful changes in the generated response, and alignment cues, measuring changes in image-phrase compatibility. These cues are normalized and jointly modeled to estimate phrase-level hallucination risk. Across four datasets spanning RRG and Med-VQA, CLEAR outperforms state-of-the-art hallucination detection baselines across multiple medical and general-purpose VLMs. On MIMIC-CXR, CLEAR improves AUPRC from 85.10% to 90.23%. Its effectiveness is further validated on a GT-derived controlled VIH benchmark. These results establish visually irrelevant hallucination as an important fine-grained reliability failure mode in medical VLMs and demonstrate the value of model-agnostic visual-support auditing for more trustworthy multimodal clinical generation.
Runyang You Hong Kong Polytechnic University, Yongqi Li Hong Kong Polytechnic University, Meng Liu Shandong University and Shandong Jianzhu University, Wenjie Wang University of Science and Technology of China, Liqiang Nie Harbin Institute of Technology (Shenzhen) and Shandong University, Wenjie Li The Hong Kong Polytechnic University, The Hong Kong Polytechnic University
Parallel test-time scaling (TTS) is a pivotal approach for enhancing large language models (LLMs), typically by sampling multiple token-based chains-of-thought in parallel and aggregating outcomes through voting or search. Recent advances in latent reasoning, where intermediate reasoning unfolds in continuous vector spaces, offer a more efficient alternative to explicit Chain-of-Thought, yet whether such latent models can similarly benefit from parallel TTS remains open, mainly due to the absence of sampling mechanisms in continuous space, and the lack of probabilistic signals for advanced trajectory aggregation. This work enables parallel TTS for latent reasoning models by addressing the above issues. For sampling, we introduce two uncertainty-inspired stochastic strategies: Monte Carlo Dropout and Additive Gaussian Noise. For aggregation, we design a Latent Reward Model (LatentRM) trained with step-wise contrastive objective to score and guide latent reasoning. Extensive experiments and visualization analyses show that both sampling strategies scale effectively with compute and exhibit distinct exploration dynamics, while LatentRM enables effective trajectory selection. Together, our explorations open a new direction for scalable inference in continuous spaces. Code and checkpoint are included as supplementary materials.GitHub Project: https://github.com/ModalityDance/LatentTTS
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cs.CL
Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers) · 2026 · 正式发表
Zhizhang Fu, Yuancheng Gu, Chenkai Hu New York University, Hanmeng Liu Hainan University, Yue Zhang Westlake University
Test-time scaling has enabled Large Language Models (LLMs) to tackle complex reasoning, yet the limitations of current Chain-of-Thought (CoT) evaluation obscure whether performance gains stem from genuine reasoning or mere verbosity. To address this, (1) we propose a novel neuro-symbolic framework for the non-intrusive, comprehensive process-centric evaluation of reasoning grounded in First-Order Logic. (2) Through this lens, we identify four distinct behavioral prototypes and diagnose the failure modes. (3) We examine the impact of inference mode, training strategy, and model scale. Our analysis reveals that extended token generation is not a prerequisite for deep reasoning. Furthermore, we reveal critical constraints: mixing long and short CoT data in training risks premature saturation and collapse, while distillation into smaller models captures behavioral length but fails to replicate logical efficacy due to intrinsic capacity limits.
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cs.CL
Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers) · 2026 · 正式发表