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Executing complex terminal tasks remains a significant challenge for open-weight LLMs, constrained by two fundamental limitations. First, high-fidelity, executable training environments are scarce: environments synthesized from real-world…

Artificial Intelligence · Computer Science 2026-02-10 Kaijie Zhu , Yuzhou Nie , Yijiang Li , Yiming Huang , Jialian Wu , Jiang Liu , Ximeng Sun , Zhenfei Yin , Lun Wang , Zicheng Liu , Emad Barsoum , William Yang Wang , Wenbo Guo

While large language models (LLMs) have transformed AI agents into proficient executors of computational materials science, performing a hundred simulations does not make a researcher. What distinguishes research from routine execution is…

Computational Physics · Physics 2026-03-16 Haonan Huang

Many machine learning applications involve jointly predicting multiple mutually dependent output variables. Learning to search is a family of methods where the complex decision problem is cast into a sequence of decisions via a search…

Machine Learning · Computer Science 2016-06-02 Kai-Wei Chang , He He , Hal Daumé , John Langford , Stephane Ross

AI agents hold growing promise for accelerating scientific discovery; yet, a lack of frontier evaluations hinders adoption into real workflows. Expert-written benchmarks have proven effective at measuring AI reasoning, but most at this…

Evaluating the scientific discovery capabilities of large language model based agents, particularly how they cope with varying environmental complexity and utilize prior knowledge, requires specialized benchmarks currently lacking in the…

Machine Learning · Computer Science 2025-10-28 Yimeng Chen , Piotr Piȩkos , Mateusz Ostaszewski , Firas Laakom , Jürgen Schmidhuber

The growing adoption of domain-specific architectures in edge computing platforms for deep learning has highlighted the efficiency of hardware accelerators. However, integrating custom accelerators into modern machine learning (ML)…

Machine Learning · Computer Science 2025-07-08 Samira Ahmadifarsani , Daniel Mueller-Gritschneder , Ulf Schlichtmann

Artificial intelligence (AI) systems possess significant potential to drive societal progress. However, their deployment often faces obstacles due to substantial safety concerns. Safe reinforcement learning (SafeRL) emerges as a solution to…

Artificial Intelligence · Computer Science 2024-10-08 Jiaming Ji , Borong Zhang , Jiayi Zhou , Xuehai Pan , Weidong Huang , Ruiyang Sun , Yiran Geng , Yifan Zhong , Juntao Dai , Yaodong Yang

Digital Computing-in-Memory (DCIM) is an innovative technology that integrates multiply-accumulation (MAC) logic directly into memory arrays to enhance the performance of modern AI computing. However, the need for customized memory cells…

This paper identifies and tackles the challenges of the requirements engineering discipline when applied to development of AI-based complex systems. Due to their complex behaviour, there is an immanent need for a tailored development…

Software Engineering · Computer Science 2019-09-02 Hrvoje Belani , Marin Vuković , Željka Car

Tool-augmented large language models (LLMs), hereafter LLM agents, leverage external tools to solve diverse tasks and interface with the real world. However, current training practices largely rely on supervised fine-tuning (SFT) over…

Machine Learning · Computer Science 2026-03-18 Weihua Du , Hailei Gong , Zhan Ling , Kang Liu , Lingfeng Shen , Xuesong Yao , Yufei Xu , Dingyuan Shi , Yiming Yang , Jiecao Chen

Analog Computing-in-Memory (ACIM) is an emerging architecture to perform efficient AI edge computing. However, current ACIM designs usually have unscalable topology and still heavily rely on manual efforts. These drawbacks limit the ACIM…

Hardware Architecture · Computer Science 2024-04-23 Haoyi Zhang , Jiahao Song , Xiaohan Gao , Xiyuan Tang , Yibo Lin , Runsheng Wang , Ru Huang

Building effective LLM agents increasingly requires selecting appropriate AI models as tools from large open repositories (e.g., HuggingFace with > 2M models) based on natural language requests. Unlike invoking a fixed set of API tools,…

Artificial Intelligence · Computer Science 2026-02-10 Shaoyin Ma , Chenggong Hu , Huiqiong Wang , Li Sun , Mingli Song , Jie Song

Code LLMs have shown promising results with converting tasks in natural language to programs that can be executed by service robots. We are interested in finetuning small, specialized LLMs for this purpose, but collecting datasets of…

Computation and Language · Computer Science 2025-10-13 Zichao Hu , Junyi Jessy Li , Arjun Guha , Joydeep Biswas

Processing-in-memory (PIM) has shown extraordinary potential in accelerating neural networks. To evaluate the performance of PIM accelerators, we present an ISA-based simulation framework including a dedicated ISA targeting neural networks…

Hardware Architecture · Computer Science 2024-02-29 Xinyu Wang , Xiaotian Sun , Yinhe Han , Xiaoming Chen

Progress toward Artificial General Intelligence (AGI) faces significant bottlenecks, particularly in rigorously evaluating complex interactive systems and acquiring the vast interaction data needed for training adaptive agents. This paper…

Artificial Intelligence · Computer Science 2025-09-25 Krisztian Balog , ChengXiang Zhai

Recent advancements in large language models (LLMs) and AI systems have led to a paradigm shift in the design and optimization of complex AI workflows. By integrating multiple components, compound AI systems have become increasingly adept…

Computation and Language · Computer Science 2025-10-08 Yu-Ang Lee , Guan-Ting Yi , Mei-Yi Liu , Jui-Chao Lu , Guan-Bo Yang , Yun-Nung Chen

Amid growing environmental concerns and resulting energy costs, there is a rising need for efficient Home Energy Management Systems (HEMS). Evaluating such innovative HEMS solutions typically relies on simulations that may not model the…

Systems and Control · Electrical Eng. & Systems 2024-04-23 Toon Van Puyvelde , Marie-Sophie Verwee , Gargya Gokhale , Mehran Zareh Eshghdoust , Chris Develder

OpenIIR runs hundreds of LLM-driven personas as parameterised, reproducible IR research experiments. Researchers configure agents across four kinds of multi-agent study (deliberative panels, social platforms, curated recommender feeds, and…

Information Retrieval · Computer Science 2026-05-15 Saber Zerhoudi

Scientific research is increasingly reliant on computational methods, posing challenges for ensuring research reproducibility. This study focuses on the field of artificial intelligence (AI) and introduces a new framework for evaluating AI…

Cryptography and Security · Computer Science 2023-09-28 Polra Victor Falade

Recent advances in both theory and computational power have created opportunities to simulate biomolecular processes more efficiently using adaptive ensemble simulations. Ensemble simulations are now widely used to compute a number of…

Quantitative Methods · Quantitative Biology 2018-09-27 Peter M. Kasson , Shantenu Jha
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