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The rapid advancement of artificial intelligence, particularly autonomous agentic systems based on Large Language Models (LLMs), presents new opportunities to accelerate drug discovery by improving in-silico modeling and reducing dependence…

Deep research has revolutionized data analysis, yet data scientists still devote substantial time to manually crafting visualizations, highlighting the need for robust automation from natural language queries. However, current systems…

Artificial Intelligence · Computer Science 2025-10-06 Zichen Chen , Jiefeng Chen , Sercan Ö. Arik , Misha Sra , Tomas Pfister , Jinsung Yoon

In this extended abstract, we propose a novel research topic in the field of agentic AI, which we refer to as self-coding information systems. These systems will be able to dynamically adapt their structure or behavior by evaluating…

Software Engineering · Computer Science 2026-03-06 Rodrigo Falcão , Frank Elberzhager , Karthik Vaidhyanathan

Large Language Models (LLMs) have demonstrated remarkable progress in scaling to access massive contexts. However, the access is via the latent and uninterpretable attention mechanisms, and LLMs fail to effective process long context,…

Computation and Language · Computer Science 2026-03-24 Weili Cao , Xunjian Yin , Bhuwan Dhingra , Shuyan Zhou

Biology is at the precipice of a new era where AI accelerates and amplifies the ability to study how cells operate, organize, and work as systems, revealing why disease happens and how to correct it. Organizations globally are prioritizing…

The efficacy of AI agents in healthcare research is hindered by their reliance on static, predefined strategies. This creates a critical limitation: agents can become better tool-users but cannot learn to become better strategic planners, a…

Artificial Intelligence · Computer Science 2025-08-08 Huiya Zhao , Yinghao Zhu , Zixiang Wang , Yasha Wang , Junyi Gao , Liantao Ma

As the complexity of modern workloads and hardware increasingly outpaces human research and engineering capacity, existing methods for database performance optimization struggle to keep pace. To address this gap, a new class of techniques,…

Databases · Computer Science 2026-04-09 Audrey Cheng , Harald Ng , Aaron Kabcenell , Peter Bailis , Matei Zaharia , Lin Ma , Xiao Shi , Ion Stoica

Foundation models, particularly large language models, are increasingly integrated into agent architectures for industrial tasks such as decision support, process monitoring, and engineering automation. Yet evidence on their purposes,…

Deep research systems, agentic AI that solve complex, multi-step tasks by coordinating reasoning, search across the open web and user files, and tool use, are moving toward hierarchical deployments with a Planner, Coordinator, and…

Artificial Intelligence · Computer Science 2025-11-06 Wenjun Li , Zhi Chen , Jingru Lin , Hannan Cao , Wei Han , Sheng Liang , Zhi Zhang , Kuicai Dong , Dexun Li , Chen Zhang , Yong Liu

In recent years, AI models that mine intrinsic patterns from molecular structures and protein sequences have shown promise in accelerating drug discovery. However, these methods partly lag behind real-world pharmaceutical approaches of…

Machine Learning · Computer Science 2023-10-17 Yizhen Luo , Xing Yi Liu , Kai Yang , Kui Huang , Massimo Hong , Jiahuan Zhang , Yushuai Wu , Zaiqing Nie

Recently, we have witnessed the rapid development of large language models, which have demonstrated excellent capabilities in the downstream task of code generation. However, despite their potential, LLM-based code generation still faces…

Software Engineering · Computer Science 2025-01-22 Haolin Jin , Huaming Chen , Qinghua Lu , Liming Zhu

Modern scientific ecosystems are rich in procedural knowledge across repositories, APIs, scripts, notebooks, documentation, databases, and papers, yet much of this knowledge remains fragmented across heterogeneous artifacts that agents…

Artificial Intelligence · Computer Science 2026-04-07 Shuaike Shen , Wenduo Cheng , Mingqian Ma , Alistair Turcan , Martin Jinye Zhang , Jian Ma

Autonomous agents are increasingly expected to support scientific research, and recent benchmarks report progress in code repair and autonomous experimentation. However, these evaluations typically assume a pre-configured execution…

Software Engineering · Computer Science 2026-03-12 Yubang Wang , Chenxi Zhang , Bowen Chen , Zezheng Huai , Zihao Dai , Xinchi Chen , Yuxin Wang , Yining Zheng , Jingjing Gong , Xipeng Qiu

Combinatorial optimization algorithm is essential in computer-aided drug design by progressively exploring chemical space to design lead compounds with high affinity to target protein. However current methods face inherent challenges in…

Biomolecules · Quantitative Biology 2025-07-23 Hao Tuo , Yan Li , Xuanning Hu , Haishi Zhao , Xueyan Liu , Bo Yang

Data science plays a critical role in transforming complex data into actionable insights across numerous domains. Recent developments in large language models (LLMs) and artificial intelligence (AI) agents have significantly automated data…

In our research, we investigate the challenges that software engineers face during program comprehension, particularly when debugging unfamiliar codebases. We propose a novel tool, CodeCompass, to address these issues. Our study highlights…

Software Engineering · Computer Science 2024-05-13 Ekansh Agrawal , Omair Alam , Chetan Goenka , Medha Iyer , Isabela Moise , Ashish Pandian , Bren Paul

Industrial robots are applied in a widening range of industries, but robot programming mostly remains a task limited to programming experts. We propose a natural language-based assistant for programming of advanced, industrial robotic…

Scientific workflow systems automate execution -- scheduling, fault tolerance, resource management -- but not the semantic translation that precedes it. Scientists still manually convert research questions into workflow specifications, a…

Artificial Intelligence · Computer Science 2026-04-24 Bartosz Balis , Michal Orzechowski , Piotr Kica , Michal Dygas , Michal Kuszewski

As AI agents take on increasingly long-running tasks involving sophisticated planning and execution, there is a corresponding need for novel interaction designs that enable deeper human-agent collaboration. However, most prior works…

Human-Computer Interaction · Computer Science 2026-02-19 K. J. Kevin Feng , Kevin Pu , Matt Latzke , Tal August , Pao Siangliulue , Jonathan Bragg , Daniel S. Weld , Amy X. Zhang , Joseph Chee Chang
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