activity
20232026
most citedSMILES-Mamba: Chemical Mamba Foundation Models for Drug ADMET Prediction

5 citations · 16 across the 18 of their papers we have counts for

collaborators

21 papers

cs.LG2026

TokenCast: Forecasting Token Consumption During LLM Agent Execution

Chaoqian Ouyang, Ling Yue, Libin Zheng +8

When a large language model (LLM) agent executes the same task, token consumption can vary by over an order of magnitude across runs. The agent chooses its next steps based on tool…

cs.AI2026

FlowEvo: Self-Evolving Agents through the Co-Evolution of Workflows and Executable Skills

Zeyu Ren, Ling Yue, Ran Li +5

Large language model agents can adapt to complex tasks by constructing workflows at inference time, but procedures discovered in one episode are usually discarded after execution.…

cs.AI2026

Position: AI Agents in Scientific Teams Should Be Studied as Human-Agent Systems

Patrick Emami, Sameera Horawalavithana, Truc Nguyen +11

Large language model-based agents are increasingly deployed as collaborators in scientific discovery yet most current work focuses on the autonomous capabilities of "AI Scientists"…

cs.AI2026

EvoFlux: Inference-Time Evolution of Executable Tool Workflows for Compact Agents

Kushal Raj Bhandari, Ling Yue, Ching-Yun Ko +4

Small language models (1.5B-4B parameters) offer low-cost, low-latency tool use but often produce plausible plans that fail during execution due to unavailable tools, missing argum…

cs.AI2026

A Multi-AI-agent Framework Enabling End-to-end Finite Element Analysis for Solid Mechanics Problems

Titu Ranjan Sarker, Muhammed Jawaad Zulqernine, Ling Yue +3

Finite element analysis (FEA) is the most important numerical approach for solid mechanics. Challenges of FEA include a steep learning curve for entry-level users and potential fal…

cs.IR2026

DiagramBank: A Quality-Audited Dataset of Scientific Schematic Diagrams with Multi-Level Document Context

Ling Yue, Tingwen Zhang, Jiaying Wang +2

Scientific papers use schematic diagrams to communicate methods, workflows, and system structure, yet existing scientific-figure corpora often mix them with plots, screenshots, and…

physics.flu-dyn2026

AI CFD Scientist: Toward Open-Ended Computational Fluid Dynamics Discovery with Physics-Aware AI Agents

Nithin Somasekharan, Rabi Pathak, Manushri Dhanakoti +4

Recent LLM-based agents have closed substantial portions of the scientific discovery loop in software-only machine-learning research, in chemistry, and in biology. Extending the sa…

cs.AI2026

FactReview: Evidence-Grounded Peer Review with Execution-Based Claim Verification

Ling Yue, Chaoqian Ouyang, Hang Xu +8

AI is accelerating scientific research, but providing timely and trustworthy feedback remains challenging. Such feedback requires evaluating specific claims against verified eviden…

cs.AI2026★ 1 cited

From Static Templates to Dynamic Runtime Graphs: A Survey of Workflow Optimization for LLM Agents

Ling Yue, Kushal Raj Bhandari, Ching-Yun Ko +6

Large language model (LLM)-based systems are becoming increasingly popular for solving tasks by constructing executable workflows that interleave LLM calls, information retrieval,…

cs.SE2026★ 1 cited

ToolRosella: Translating Code Repositories into Standardized Tools for Scientific Agents

Shimin Di, Xujie Yuan, Hanghui Guo +10

Large Language Model (LLM)-based agent systems are increasingly used for scientific tasks, yet their practical capability remains constrained by the narrow scope of manually curate…

cs.AI2025

Foam-Agent 2.0: An End-to-End Composable Multi-Agent Framework for Automating CFD Simulation in OpenFOAM

Ling Yue, Nithin Somasekharan, Tingwen Zhang +2

Computational Fluid Dynamics (CFD) is an essential simulation tool in engineering, yet its steep learning curve and complex manual setup create significant barriers. To address the…

cs.CL2025

CFDLLMBench: A Benchmark Suite for Evaluating Large Language Models in Computational Fluid Dynamics

Nithin Somasekharan, Ling Yue, Yadi Cao +6

Large Language Models (LLMs) have demonstrated strong performance across general NLP tasks, but their utility in automating numerical experiments of complex physical system -- a cr…

cs.SE2025

Code2MCP: Transforming Code Repositories into MCP Services

Chaoqian Ouyang, Ling Yue, Shimin Di +5

The Model Context Protocol (MCP) aims to create a standard for how Large Language Models use tools. However, most current research focuses on selecting tools from an existing pool.…

cs.AI2025

Foam-Agent: A Large Language Model-Based Multi-Agent Framework for Automating Computational Fluid Dynamics Workflows

Ling Yue, Nithin Somasekharan, Tingwen Zhang +4

Computational fluid dynamics (CFD) has been the main workhorse of computational physics, yet its steep learning curve and fragmented, multi-stage workflow create significant barrie…

cs.AI2024

ReMe: Scaffolding Personalized Cognitive Training via Controllable LLM-Mediated Conversations

Zilong Wang, Nan Chen, Luna K. Qiu +6

Global aging calls for scalable and engaging cognitive interventions. Computerized cognitive training (CCT) is a promising non-pharmacological approach, yet many unsupervised progr…

cs.LG2024★ 5 cited

SMILES-Mamba: Chemical Mamba Foundation Models for Drug ADMET Prediction

Bohao Xu, Yingzhou Lu, Chenhao Li +5

In drug discovery, predicting the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of small-molecule drugs is critical for ensuring safety and effic…

cs.CL2024★ 2 cited

BioMamba: Domain-Adaptive Biomedical Language Models

Ling Yue, Mingzhi Zhu, Sixue Xing +8

Background. Biomedical language models should improve performance on biomedical text while retaining general-language-modeling fluency. For Mamba-based models, this trade-off has n…

cs.CL2024★ 3 cited

ClinicalAgent: Clinical Trial Multi-Agent System with Large Language Model-based Reasoning

Ling Yue, Sixue Xing, Jintai Chen +1

Large Language Models (LLMs) and multi-agent systems have shown impressive capabilities in natural language tasks but face challenges in clinical trial applications, primarily due…

q-bio.QM2023★ 4 cited

Emerging Drug Interaction Prediction Enabled by Flow-based Graph Neural Network with Biomedical Network

Yongqi Zhang, Quanming Yao, Ling Yue +4

Accurately predicting drug-drug interactions (DDI) for emerging drugs, which offer possibilities for treating and alleviating diseases, with computational methods can improve patie…

cs.LG2023

Ensemble Learning for Graph Neural Networks

Zhen Hao Wong, Ling Yue, Quanming Yao

Graph Neural Networks (GNNs) have shown success in various fields for learning from graph-structured data. This paper investigates the application of ensemble learning techniques t…

cs.LG2023

Relation-aware Ensemble Learning for Knowledge Graph Embedding

Ling Yue, Yongqi Zhang, Quanming Yao +5

Knowledge graph (KG) embedding is a fundamental task in natural language processing, and various methods have been proposed to explore semantic patterns in distinctive ways. In thi…