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Modern scientific discovery increasingly relies on high-performance computing for complex modeling and simulation. A key challenge in improving parallel program performance is efficiently mapping tasks to processors and data to memory, a…

Machine Learning · Computer Science 2025-06-02 Anjiang Wei , Allen Nie , Thiago S. F. X. Teixeira , Rohan Yadav , Wonchan Lee , Ke Wang , Alex Aiken

Parameter-Efficient Fine-Tuning (PEFT) is essential for adapting Large Language Models (LLMs). In practice, LLMs are often required to handle a diverse set of tasks from multiple domains, a scenario naturally addressed by multi-task…

Computation and Language · Computer Science 2025-08-08 Jinda Liu , Bo Cheng , Yi Chang , Yuan Wu

Autonomous agents powered by large language models (LLMs) have garnered significant research attention. However, fully harnessing the potential of LLMs for agent-based tasks presents inherent challenges due to the heterogeneous nature of…

Compound AI systems that combine multiple LLM calls, such as self-refine and multi-agent-debate, achieve strong performance on many AI tasks. We address a core question in optimizing compound systems: for each LLM call or module in the…

Artificial Intelligence · Computer Science 2025-02-21 Lingjiao Chen , Jared Quincy Davis , Boris Hanin , Peter Bailis , Matei Zaharia , James Zou , Ion Stoica

Large Language Models (LLMs) excel in diverse applications including generation of code snippets, but often struggle with generating code for complex Machine Learning (ML) tasks. Although existing LLM single-agent based systems give varying…

Multiagent Systems · Computer Science 2025-01-09 Shubham Gandhi , Manasi Patwardhan , Lovekesh Vig , Gautam Shroff

The proliferation of Large Language Models (LLMs) in recent years has realized many applications in various domains. Being trained with a huge of amount of data coming from various sources, LLMs can be deployed to solve different tasks,…

Software Engineering · Computer Science 2025-03-17 Duc S. H. Nguyen , Bach G. Truong , Phuong T. Nguyen , Juri Di Rocco , Davide Di Ruscio

Recent advances in large language models (LLMs) have demonstrated potential for LLM agents. To facilitate the training for these agents with both linguistic feedback and non-linguistic reward signals, we introduce Learning through…

Computation and Language · Computer Science 2024-04-16 Kuan Wang , Yadong Lu , Michael Santacroce , Yeyun Gong , Chao Zhang , Yelong Shen

While integrating tools like Code Interpreter and Search has significantly enhanced Large Language Model (LLM) reasoning in models like ChatGPT Agent and Gemini-Pro, practical guidance on optimal tool use is lacking. The core challenge is…

Computation and Language · Computer Science 2025-10-03 Yongchao Chen , Jiefeng Chen , Rui Meng , Ji Yin , Na Li , Chuchu Fan , Chi Wang , Tomas Pfister , Jinsung Yoon

Large Language Models (LLMs) have shown remarkable capabilities in solving various programming tasks, such as code generation. However, their potential for code optimization, particularly in performance enhancement, remains largely…

Programming Languages · Computer Science 2026-02-26 Tong Ye , Tengfei Ma , Xuhong Zhang , Hang Yu , Jianwei Yin , Wenhai Wang

Traditional image annotation tasks rely heavily on human effort for object selection and label assignment, making the process time-consuming and prone to decreased efficiency as annotators experience fatigue after extensive work. This paper…

Computer Vision and Pattern Recognition · Computer Science 2025-03-17 He Zhang , Xinyi Fu , John M. Carroll

Automated analysis for engineering structures offers considerable potential for boosting efficiency by minimizing repetitive tasks. Although AI-driven methods are increasingly common, no systematic framework yet leverages Large Language…

Software Engineering · Computer Science 2025-04-15 Haoran Liang , Mohammad Talebi Kalaleh , Qipei Mei

LLMs have made significant progress in complex but easy-to-verify problems, yet they still struggle with discovering the unknown. In this paper, we present \textbf{AlphaResearch}, an autonomous research agent designed to discover new…

Computation and Language · Computer Science 2026-04-02 Zhaojian Yu , Kaiyue Feng , Yilun Zhao , Shilin He , Xiao-Ping Zhang , Arman Cohan

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations;…

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

Large Language Models (LLMs) can be fine-tuned on domain-specific data to enhance their performance in specialized fields. However, such data often contains numerous low-quality samples, necessitating effective data processing (DP). In…

Machine Learning · Computer Science 2026-05-08 Wei Huang , Anda Cheng , Yinggui Wang , Lei Wang , Tao Wei

We present, to our knowledge, the most comprehensive cross-model evaluation of LLM agents on offensive cybersecurity tasks, benchmarking 10 frontier models from 7 providers on all 200 challenges of the NYU CTF Bench. Building on the…

Cryptography and Security · Computer Science 2026-04-21 Tyler H. Merves , Michael H. Conaway , Joseph M. Escobar , Hakan T. Otal , Unal Tatar

Large Language Models (LLMs) demonstrate strong capabilities in general coding tasks but encounter two key challenges when optimizing code: (i) the complexity of writing optimized code (such as performant CUDA kernels and competition-level…

Machine Learning · Computer Science 2026-01-12 Jiefu Ou , Sapana Chaudhary , Kaj Bostrom , Nathaniel Weir , Shuai Zhang , Huzefa Rangwala , George Karypis

Recent advances in AI agents for software engineering and scientific discovery have demonstrated remarkable capabilities, yet their application to developing novel ranking models in commercial search engines remains unexplored. In this…

Information Retrieval · Computer Science 2026-03-25 Liwei Wu , Cho-Jui Hsieh

In this work, we conduct an assessment of the optimization capabilities of LLMs across various tasks and data sizes. Each of these tasks corresponds to unique optimization domains, and LLMs are required to execute these tasks with…

Machine Learning · Computer Science 2024-05-28 Pei-Fu Guo , Ying-Hsuan Chen , Yun-Da Tsai , Shou-De Lin

How much large language models (LLMs) can aid scientific discovery, notably in assisting academic peer review, is in heated debate. Between a literature digest and a human-comparable research assistant lies their practical application…

Computation and Language · Computer Science 2025-08-19 Tianyi Li , Yu Qin , Olivia R. Liu Sheng