Agentic artificial intelligence (AI) systems hold immense potential for automating complex workflows in materials discovery and design, but extending these capabilities to domain-intensive mechanistic studies remains challenging. General grain boundaries (GBs) exemplify this challenge, as their structural complexity complicates experimental characterization and atomistic modeling. Here, we present GBClaw, an agentic AI framework for investigating the structure and deformation of general GBs, which are common in real polycrystals yet remain understudied. By integrating large language models into a modular architecture, GBClaw effectively combines systematic simulations with targeted mechanistic analysis through iterative workflow refinement and dynamic replanning. Applied to 14 general asymmetric tilt GBs in nickel, the framework characterized interfacial defect structures and deformation modes across these incommensurate boundaries. It established a general approach to identify previously unobserved, widely spaced secondary GB misfit dislocations (SGBMDs) alongside closely spaced primary GB misfit dislocations (PGBMDs) in simulated atomic configurations and experimental images. Comparisons of GB sliding with and without SGBMDs revealed substantial differences in shear strength, underscoring the critical role of misfit-dislocation hierarchies in sliding resistance. Researcher-guided follow-up calculations further elucidated the structural origins of shear asymmetry and an anomalous shear response. This work demonstrates that combining agentic AI with domain expertise bridges high-throughput computational screening and deep mechanistic discovery at complex material interfaces.
Yin Fang, Qiao Jin, Shubo Tian, Lauren He, Maya Geer, Noor Naffakh, Ryan Huu-Tuan Nguyen, Zifeng Wang 等 27 位作者
Clinical trials are essential for evidence-based medicine and drug development, but many fail because of insufficient patient enrollment. Although there is growing interest in using AI to support patient recruitment, existing systems largely perform eligibility assessment alone and have rarely been evaluated in real-world workflows. Here we present TrialGPT 2.0, an AI-assisted clinical trial recommendation system improved for responsible real-world deployment. Rather than asking only whether a patient may qualify, the system assesses which trials warrant further consideration given the patient's current clinical needs and local workflow priorities, and provides structured, inspectable explanations for expert review. Importantly, we evaluated TrialGPT 2.0 retrospectively and prospectively across government research, patient-advocacy, academic medical center, and community-based radiation-oncology settings. In retrospective multicenter cohorts comprising 288 cases, TrialGPT 2.0 retrieved at least one clinician-recommended trial in its top 10 recommendations for approximately 91% of cases while reducing clinician screening time by 55.0%. In a six-month prospective evaluation embedded in an active precision oncology tumor board, TrialGPT 2.0 contributed additional trial opportunities missed by the routine workflow, increasing the number of patient cases with at least one final trial recommendation by 90.9%. To support scientific reproducibility, we also developed NIH-TrialBench, a clinician-authored benchmark comprising 126 diverse synthetic patient vignettes and matching scenarios from 11 NIH Institutes and Centers. Together, these findings support the value of AI to assist clinical trial matching by improving clinician efficiency and identifying frequently overlooked trial opportunities, ultimately helping to expand and accelerate accrual to cancer trials.
Shangbin Feng University of Washington, Wenxuan Ding New York University, Alisa Liu NVIDIA and University of Washington, Zifeng Wang Google, Weijia Shi, Yike Wang, Shannon Zejiang Shen, Xiaochuang Han Facebook 等 13 位作者
This position paper argues that in many realistic (i.e., complex, contextualized, subjective) scenarios, one LLM is not enough to produce a reliable output. We challenge the status quo of relying solely on a single general-purpose LLM and argue for multi-LLM collaboration to better represent the extensive diversity of data, skills, and people. We first posit that a single LLM underrepresents real-world data distributions, heterogeneous skills, and pluralistic populations, and that such representation gaps cannot be trivially patched by further training a single LLM. We then organize existing multi-LLM collaboration methods into a hierarchy, based on the level of access and information exchange, ranging from API-level, text-level, logit-level, to weight-level collaboration. Based on these methods, we highlight how multi-LLM collaboration addresses challenges that a single LLM struggles with, such as reliability, democratization, and pluralism. Finally, we identify the limitations of existing multi-LLM methods and motivate future work. We envision multi-LLM collaboration as an essential path toward compositional intelligence and collaborative AI development.
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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
Siru Ouyang, Jun Yan, I-Hung Hsu, Yanfei Chen, Ke Jiang, Zifeng Wang, Rujun Han, Long T. Le 等 17 位作者
With the growing adoption of large language model agents in persistent real-world roles, they naturally encounter continuous streams of tasks. A key limitation, however, is their failure to learn from the accumulated interaction history, forcing them to discard valuable insights and repeat past errors. We propose ReasoningBank, a novel memory framework that distills generalizable reasoning strategies from an agent's self-judged successful and failed experiences. At test time, an agent retrieves relevant memories from ReasoningBank to inform its interaction and then integrates new learnings back, enabling it to become more capable over time. Building on this powerful experience learner, we further introduce memory-aware test-time scaling (MaTTS), which accelerates and diversifies this learning process by scaling up the agent's interaction experience. By allocating more compute to each task, the agent generates abundant, diverse experiences that provide rich contrastive signals for synthesizing higher-quality memory. The better memory in turn guides more effective scaling, establishing a powerful synergy between memory and test-time scaling. Across web browsing and software engineering benchmarks, ReasoningBank consistently outperforms existing memory mechanisms that store raw trajectories or only successful task routines, improving both effectiveness and efficiency; MaTTS further amplifies these gains. These findings establish memory-driven experience scaling as a new scaling dimension, enabling agents to self-evolve with emergent behaviors naturally arise. Our code can be found at https://github.com/google-research/reasoning-bank.