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Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials…

Artificial Intelligence · Computer Science 2026-02-10 Isabella A. Stewart , Tarjei Paule Hage , Yu-Chuan Hsu , Markus J. Buehler

Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

Artificial Intelligence · Computer Science 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

Predicting transcriptional responses to unseen genetic perturbations is essential for understanding gene regulation and prioritizing large-scale perturbation experiments. Existing approaches either rely on static, potentially incomplete…

Chain-of-thought prompting significantly boosts the reasoning ability of large language models but still faces three issues: hallucination problem, restricted interpretability, and uncontrollable generation. To address these challenges, we…

Computation and Language · Computer Science 2024-09-20 Chen Liang , Zhifan Feng , Zihe Liu , Wenbin Jiang , Jinan Xu , Yufeng Chen , Yong Wang

We train a neural network to predict distributional responses in gene expression following genetic perturbations. This is an essential task in early-stage drug discovery, where such responses can offer insights into gene function and inform…

Precoding is a key technique for interference management and performance improvement in multi-antenna wireless systems. However, existing precoding methods are typically developed for specific system models, objectives, and constraint sets,…

Multiagent Systems · Computer Science 2026-05-08 Zijiu Yang , Zixiang Zhang , Shunpu Tang , Qianqian Yang , Zhiguo Shi

Human cognition excels at transcending sensory input and forming latent representations that structure our understanding of the world. While Large Language Model (LLM) agents demonstrate emergent reasoning and decision-making abilities,…

Machine Learning · Computer Science 2026-01-22 Hengguan Huang , Xing Shen , Songtao Wang , Lingfa Meng , Dianbo Liu , David Alejandro Duchene , Hao Wang , Samir Bhatt

Large language models (LLMs) have empowered AI agents to tackle increasingly complex tasks. However, most existing agents remain limited to static planning and brittle interactions, falling short of true collaboration or adaptive reasoning.…

Artificial Intelligence · Computer Science 2025-10-14 William Nguyen , Vinh Luong , Christopher Nguyen

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

Machine Learning · Computer Science 2026-01-01 Pascal Passigan , Kevin Zhu , Angelina Ning

Recent progress in large language models (LLMs) has enabled substantial advances in solving mathematical problems. However, existing benchmarks often fail to reflect the complexity of real-world problems, which demand open-ended,…

Artificial Intelligence · Computer Science 2025-05-22 Cheng Qian , Hongyi Du , Hongru Wang , Xiusi Chen , Yuji Zhang , Avirup Sil , Chengxiang Zhai , Kathleen McKeown , Heng Ji

Dysregulation in signal transduction pathways can lead to a variety of complex disorders, including cancer. Computational approaches such as network analysis are important tools to understand system dynamics as well as to identify critical…

Molecular Networks · Quantitative Biology 2015-11-12 Bhanwar Lal Puniya , Laura Allen , Colleen Hochfelder , Mahbubul Majumder , Tomáš Helikar

The rapid evolution of sophisticated cyberattacks has strained modern Security Operations Centers (SOC), which traditionally rely on rule-based or signature-driven detection systems. These legacy frameworks often generate high volumes of…

Cryptography and Security · Computer Science 2026-03-03 Chuanming Tang , Ling Qing , Shifeng Chen

Background: The surge in single-cell omics data exposes limitations in traditional, manually defined analysis workflows. AI agents offer a paradigm shift, enabling adaptive planning, executable code generation, traceable decisions, and…

Genomics · Quantitative Biology 2026-03-17 Yang Liu , Lu Zhou , Xiawei Du , Ruikun He , Xuguang Zhang , Rongbo Shen , Yixue Li

Traditional control system design, reliant on expert knowledge and precise models, struggles with complex, nonlinear, or uncertain dynamics. This paper introduces AgenticControl, a novel multi-agent framework that automates controller…

Systems and Control · Electrical Eng. & Systems 2025-06-25 Mohammad Narimani , Seyyed Ali Emami

Creating end-to-end bioinformatics workflows requires diverse domain expertise, which poses challenges for both junior and senior researchers as it demands a deep understanding of both genomics concepts and computational techniques. While…

Large language model (LLM) agents are increasingly deployed in structured biomedical data environments, yet they often produce fluent but overconfident outputs when reasoning over complex multi-table data. We introduce an uncertainty-aware…

We introduce a novel large language model (LLM)-driven agent framework, which iteratively refines queries and filters contextual evidence by leveraging dynamically evolving knowledge. A defining feature of the system is its decoupling of…

Artificial Intelligence · Computer Science 2025-04-02 Seyoung Song

Predicting transcriptional responses to genetic perturbations is a central problem in functional genomics. In practice, perturbation responses are rarely gene-independent but instead manifest as coordinated, program-level transcriptional…

Genomics · Quantitative Biology 2026-02-06 Jiafa Ruan , Ruijie Quan , Zongxin Yang , Liyang Xu , Yi Yang

The reasoning capabilities of LLM (Large Language Model) are widely acknowledged in recent research, inspiring studies on tool learning and autonomous agents. LLM serves as the "brain" of the agent, orchestrating multiple tools for…

Machine Learning · Computer Science 2024-03-26 Xiangyan Liu , Rongxue Li , Wei Ji , Tao Lin

Large language models (LLMs) and vision-language models (VLMs) have the potential to transform biological research by enabling autonomous experimentation. Yet, their application remains constrained by rigid protocol design, limited…

Robotics · Computer Science 2025-07-03 Yibo Qiu , Zan Huang , Zhiyu Wang , Handi Liu , Yiling Qiao , Yifeng Hu , Shu'ang Sun , Hangke Peng , Ronald X Xu , Mingzhai Sun