Ke Ye
Publications
ReThinker: Scientific Reasoning by Rethinking with Guided Reflection and Confidence Control
Expert-level scientific reasoning remains challenging for large language models, particularly on benchmarks such as Humanity's Last Exam (HLE), where rigid tool pipelines, brittle multi-agent coordination, and inefficient test-time scaling often limit performance. We introduce ReThinker, a confidence-aware agentic framework that orchestrates retrieval, tool use, and multi-agent reasoning through a stage-wise Solver-Critic-Selector architecture. Rather than following a fixed pipeline, ReThinker dynamically allocates computation based on model confidence, enabling adaptive tool invocation, guided multi-dimensional reflection, and robust confidence-weighted selection. To support scalable training without human annotation, we further propose a reverse data synthesis pipeline and an adaptive trajectory recycling strategy that transform successful reasoning traces into high-quality supervision. Experiments on HLE, GAIA, and XBench demonstrate that ReThinker consistently outperforms state-of-the-art foundation models with tools and existing deep research systems, achieving state-of-the-art results on expert-level reasoning tasks.
From Text to Simulation: A Multi-Agent LLM Workflow for Automated Chemical Process Design
Process simulation is a critical cornerstone of chemical engineering design. Current automated chemical design methodologies focus mainly on various representations of process flow diagrams. However, transforming these diagrams into executable simulation flowsheets remains a time-consuming and labor-intensive endeavor, requiring extensive manual parameter configuration within simulation software. In this work, we propose a novel multi-agent workflow that leverages the semantic understanding capabilities of large language models(LLMs) and enables iterative interactions with chemical process simulation software, achieving end-to-end automated simulation from textual process specifications to computationally validated software configurations for design enhancement. Our approach integrates four specialized agents responsible for task understanding, topology generation, parameter configuration, and evaluation analysis, respectively, coupled with Enhanced Monte Carlo Tree Search to accurately interpret semantics and robustly generate configurations. Evaluated on Simona, a large-scale process description dataset, our method achieves a 31.1% improvement in the simulation convergence rate compared to state-of-the-art baselines and reduces the design time by 89. 0% compared to the expert manual design. This work demonstrates the potential of AI-assisted chemical process design, which bridges the gap between conceptual design and practical implementation. Our workflow is applicable to diverse process-oriented industries, including pharmaceuticals, petrochemicals, food processing, and manufacturing, offering a generalizable solution for automated process design.