Yikun Zhang, Xiwei Cheng, Mingze Yuan, Yu Zhang, Brian Shim, Aarti Krishnan, Daniel Rosen, Kunyang Sun 等 18 位作者
Molecular discovery requires navigating vast combinatorial search spaces while balancing competing biological objectives. AI agents can automate expert-defined molecular design protocols, but automation alone does not address how to optimize workflows for new tasks or improve their development through experience. Here we introduce MoLRSI, an AI agent that combines systematic optimization of workflows and model architectures with persistent cross-task memory to recursively improve its search policy for molecular discovery. Workflow performance, refinement outcomes, and execution feedback guide subsequent searches, allowing the agent to improve both its workflows and its strategy for developing them. We evaluate MoLRSI in two challenging molecular discovery settings that require balancing competing properties. In antibiotic discovery, MoLRSI developed a screening workflow balancing antibacterial activity, cytotoxicity and structural novelty, achieving an experimental hit rate of 15.9%, compared with 8.7% for a previous expert-led workflow using the same training data and screening library. In de novo peptide-MHC binder design, MoLRSI developed workflows that jointly consider target binding and specificity, producing eight experimentally validated hits against MART-1 and SARS-CoV-1 pMHCs with preferential binding over tested off-targets while Claude Science completely failed. These findings demonstrate how experience-guided workflow optimization can address competing discovery objectives while improving the search strategies used in subsequent campaigns.
As AI coding agents take on increasingly complex, long-horizon software engineering tasks, existing benchmarks are rapidly saturating and their evaluation quality has come under serious scrutiny: a recent audit found that nearly 60% of unsolved SWE-bench Verified instances contain flawed tests -- either overly narrow tests that reject correct solutions or overly broad tests that check unstated requirements -- and that frontier models can verbatim reproduce gold patches from training data. Code refactoring, which requires coordinated, behavior-preserving changes across many files, offers a substantially harder and more realistic test of agent capability, yet remains underserved by current benchmarks. We introduce SWE-Bench ProMax, an expert-curated, multilingual code refactoring benchmark of 170 instances drawn from real commits across seven programming languages (Python, Java, TypeScript, Go, C, C++, and Rust). Every instance undergoes rigorous, multi-stage curation that directly addresses the quality problems identified in prior benchmarks: issue descriptions are rewritten from scratch to provide precise, unambiguous specifications, and test suites are manually reviewed to remove overly narrow and overly broad tests. Tasks with insufficient complexity or limited cross-file scope are filtered out, yielding a benchmark of challenging, large-scale refactoring tasks that average 11.5 modified files and 261.6 lines of code per instance, substantially exceeding the scale of existing benchmarks. Experiments with frontier models under two agent scaffolds show that the best model achieves only 41.2% resolve rate, confirming that SWE-Bench ProMax presents a meaningful and unsaturated challenge for current AI coding agents. Our benchmark is available at https://huggingface.co/datasets/swe-bench-promax/SWE-Bench-ProMax.
Neural surrogates are widely used in scientific machine learning for fast prediction of three-dimensional (3D) thermo-fluid fields. However, generating training data using conventional numerical solvers often incurs substantial computational and storage costs. We propose to train an attention graph neural network by minimizing the finite-volume method (FVM) residuals of the governing equations. These residuals are evaluated directly on the mesh, requiring no labeled data. We evaluate the trained surrogates against computational fluid dynamics (CFD) references and a data-supervised baseline across four scenarios. On the two steady-state benchmarks, each solved on the same mesh as its CFD reference, the FVM-loss model reproduces the reference flow and temperature fields with mean field-averaged normalized root-mean-square errors (nRMSEs) near 3%, including the buoyancy-energy coupling. On the two parametric transient cases, the FVM-loss model attains lower rollout errors than the supervised baseline in almost every field, while avoiding the data-generation cost entirely. These results indicate that the FVM loss can provide a practical training signal for neural surrogates and reduce the model development cost.
Zhendong Li, Yiran Zheng, Tianyu Li, Zhou Su, Wen Chen, Ying Wang
As an emerging framework, movable antenna (MA)-enabled wireless powered networks (WPNs) have attracted growing attention. WPNs integrate wireless communication and energy transfer. MA can dynamically adjust the position of antenna units by introducing additional spatial degrees of freedom, so as to make full use of channel gain, optimize the effect of energy beamforming, and further improve the performance of WPNs. In this article, we first classify the implementations of MA by driving architectures, and review the fundamental principles of WPNs. We then highlight the key advantages of MA-enabled WPNs in enhancing wireless power transfer efficiency, realizing flexible and adaptive beamforming, and improving system robustness and interference resilience. Furthermore, four representative application scenarios and three key enabling technologies are discussed. A case study is also presented to show the reduction in transmit power brought by MA for WPNs. Finally, we discuss the challenges and future directions of MA-enabled WPNs, aiming to provide reference for future research and practice.
Yuhao Shen, Tianyu Liu, Junyi Shen, Jinyang Wu Tsinghua University, Quan Kong, Huan Li Zhejiang University, Cong Wang Zhejiang University
Parallel Speculative Decoding (PSD) accelerates traditional Speculative Decoding (SD) by overlapping draft generation with verification. However, it remains hampered by two fundamental challenges: (1) a theoretical speedup ceiling dictated by the speed ratio between the draft and target models, and (2) high computational waste and pipeline stall due to mid-sequence token rejections of early errors. To address these limitations, we introduce Double (Double Retrieval Speculative Parallelism). By bridging the gap between SD and PSD, our framework resolves the Retrieval Precision-Efficiency Dilemma through a novel synchronous mechanism. Specifically, we enable the draft model to execute iterative retrieval speculations to break the theoretical speedup limits; to alleviate rejections without rollback, the target model performs authoritative retrieval to generate multi-token guidance. Double is entirely training-free and lossless. Extensive experiments demonstrate state-of-the-art speedup of \textbf{5.3}\times on LLaMA3.3-70B and \textbf{2.8}\times on Qwen3-32B, significantly outperforming the advanced method EAGLE-3 that requires extensive model training. Our code is available at https://github.com/Sylvan820/Double1.
尚无 AI 解读，展示原文摘要
cs.CL
Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers) · 2026 · 正式发表