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Data preparation, which aims to transform heterogeneous and noisy raw tables into analysis-ready data, remains a major bottleneck in data science. Recent approaches leverage large language models (LLMs) to automate data preparation from…

Databases · Computer Science 2026-02-10 Meihao Fan , Ju Fan , Yuxin Zhang , Shaolei Zhang , Xiaoyong Du , Jie Song , Peng Li , Fuxin Jiang , Tieying Zhang , Jianjun Chen

Compiler optimization is crucial for enhancing program performance by transforming the sequence of optimization passes while maintaining correctness. Despite the promising potential of large language models (LLMs)-based agent for software…

Programming Languages · Computer Science 2025-10-15 Hongyu Lin , Haolin Pan , Haoran Luo , Yuchen Li , Kaichun Yao , Libo Zhang , Mingjie Xing , Yanjun Wu

Deep neural networks (DNNs) can be useful within the marine robotics field, but their utility value is restricted by their black-box nature. Explainable artificial intelligence methods attempt to understand how such black-boxes make their…

Robotics · Computer Science 2022-03-02 Vilde B. Gjærum , Inga Strümke , Ole Andreas Alsos , Anastasios M. Lekkas

With the advent of AI agents, automatic scientific discovery has become a tenable goal. Many recent works scaffold agentic systems that can perform machine learning research, but don't offer a principled way to train such agents -- and…

Artificial Intelligence · Computer Science 2026-03-19 Ziyang Cai , Harkirat Behl

The field of artificial intelligence has witnessed significant advancements in natural language processing, largely attributed to the capabilities of Large Language Models (LLMs). These models form the backbone of Agents designed to address…

Computation and Language · Computer Science 2025-01-16 Jiaxin Guo , Yuanchang Luo , Daimeng Wei , Ling Zhang , Zongyao Li , Hengchao Shang , Zhiqiang Rao , Shaojun Li , Jinlong Yang , Zhanglin Wu , Hao Yang

Modern agents built on frontier language models often cannot adapt their weights. What, then, remains trainable? We argue it is the agent's \emph{workspace}, the structured external substrate it reads, writes, and tests; we call its…

Artificial Intelligence · Computer Science 2026-05-12 Elad Sarafian , Gal Kaplun , Ron Banner , Daniel Soudry , Boris Ginsburg

Autonomous data science, from raw data sources to analyst-grade deep research reports, has been a long-standing challenge, and is now becoming feasible with the emergence of powerful large language models (LLMs). Recent workflow-based data…

Artificial Intelligence · Computer Science 2025-10-21 Shaolei Zhang , Ju Fan , Meihao Fan , Guoliang Li , Xiaoyong Du

Rapidly increasing context lengths have led to the assumption that large language models (LLMs) can directly reason over entire codebases. Concurrently, recent advances in LLMs have enabled strong performance on software engineering…

Software Engineering · Computer Science 2026-03-09 Ravi Raju , Mengmeng Ji , Shubhangi Upasani , Bo Li , Urmish Thakker

Benchmarks for large language models (LLMs) have predominantly assessed short-horizon, localized reasoning. Existing long-horizon suites (e.g. SWE-bench) rely on manually curated issues, so expanding or tuning difficulty demands expensive…

Machine Learning · Computer Science 2025-06-03 Kaivalya Hariharan , Uzay Girit , Atticus Wang , Jacob Andreas

Reasoning models have recently shown remarkable progress in domains such as math and coding. However, their expert-level abilities in math and coding contrast sharply with their performance in long-horizon, interactive tasks such as web…

Computation and Language · Computer Science 2025-10-13 Xiao Yu , Baolin Peng , Michel Galley , Hao Cheng , Qianhui Wu , Janardhan Kulkarni , Suman Nath , Zhou Yu , Jianfeng Gao

Training trustworthy agentic LLMs requires data that shows the grounded reasoning process, not just the final answer. Existing datasets fall short: question-answering data is outcome-only, chain-of-thought data is not tied to specific…

Information Retrieval · Computer Science 2026-04-30 Saber Zerhoudi , Michael Granitzer , Jelena Mitrovic

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…

This paper studies the next major bottleneck in agentic AI as system scaling, not only model scaling: the design of auditable, persistent, modular, and verifiable architectures around foundation models. We refer to this shift as scaling the…

Artificial Intelligence · Computer Science 2026-05-26 Shangding Gu

Simulated environments play an essential role in embodied AI, functionally analogous to test cases in software engineering. However, existing environment generation methods often emphasize visual realism (e.g., object diversity and layout…

Robotics · Computer Science 2026-01-21 Jianan Wang , Siyang Zhang , Bin Li , Juan Chen , Jingtao Qi , Zhuo Zhang , Chen Qian

The ability to learn robust policies while generalizing over large discrete action spaces is an open challenge for intelligent systems, especially in noisy environments that face the curse of dimensionality. In this paper, we present a…

Machine Learning · Computer Science 2023-06-29 Pranavi Pathakota , Hardik Meisheri , Harshad Khadilkar

As autonomous coding agents become capable of handling increasingly long-horizon tasks, they have gradually demonstrated the potential to complete end-to-end software development. Although existing benchmarks have recently evolved from…

Software Engineering · Computer Science 2026-05-19 Qingnan Ren , Shun Zou , Shiting Huang , Ziao Zhang , Kou Shi , Zhen Fang , Yiming Zhao , Yu Zeng , Qisheng Su , Lin Chen , Yong Wang , Zehui Chen , Xiangxiang Chu , Feng Zhao

While imitation learning has shown impressive results in single-task robot manipulation, scaling it to multi-task settings remains a fundamental challenge due to issues such as suboptimal demonstrations, trajectory noise, and behavioral…

Robotics · Computer Science 2025-12-23 Yihang Zhu , Weiqing Wang , Shijie Wu , Ye Shi , Jingya Wang

Molecular docking is an important tool for structure-based drug design, accelerating the efficiency of drug development. Complex and dynamic binding processes between proteins and small molecules require searching and sampling over a wide…

Chemical Physics · Physics 2024-02-23 Runqiu Shu , Bowen Liu , Zhaoping Xiong , Xiaopeng Cui , Yunting Li , Wei Cui , Man-Hong Yung , Nan Qiao

Large language model(LLM)-driven multi-agent systems(MAS) coordinate specialized agents through predefined interaction topologies and have shown promise for complex tasks such as competition-level code generation. Recent studies demonstrate…

Multiagent Systems · Computer Science 2026-02-20 Siyu Wang , Ruotian Lu , Zhihao Yang , Yuchao Wang , Yanzhou Zhang , Lei Xu , Qimin Xu , Guojun Yin , Cailian Chen , Xinping Guan