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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

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Showing 2026Show all

10 papers · 1 filter

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…