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With the continuous evolution and refinement of LLMs, they are endowed with impressive logical reasoning or vertical thinking capabilities. But can they think out of the box? Do they possess proficient lateral thinking abilities? Following…

Computation and Language · Computer Science 2024-03-19 Shulin Huang , Shirong Ma , Yinghui Li , Mengzuo Huang , Wuhe Zou , Weidong Zhang , Hai-Tao Zheng

Despite progress in language model (LM) capabilities, evaluations have thus far focused on models' performance on tasks that humans have previously solved, including in programming (Jimenez et al., 2024) and mathematics (Glazer et al.,…

Autonomous tuning of particle accelerators is an active and challenging field of research with the goal of enabling novel accelerator technologies cutting-edge high-impact applications, such as physics discovery, cancer research and…

Computation and Language · Computer Science 2024-05-16 Jan Kaiser , Annika Eichler , Anne Lauscher

Autonomous agents based on Large Language Models (LLMs) that devise plans and tackle real-world challenges have gained prominence.However, tailoring these agents for specialized domains like quantitative investment remains a formidable…

Artificial Intelligence · Computer Science 2024-02-07 Saizhuo Wang , Hang Yuan , Lionel M. Ni , Jian Guo

What algorithms do LLMs actually learn and use to solve problems? Studies addressing this question are sparse, as research priorities are focused on improving performance through scale, leaving a theoretical and empirical gap in…

Artificial Intelligence · Computer Science 2025-07-11 Oliver Eberle , Thomas McGee , Hamza Giaffar , Taylor Webb , Ida Momennejad

While previous AI Scientist systems can generate novel findings, they often lack the focus to produce scientifically valuable contributions that address pressing human-defined challenges. We introduce DeepScientist, a system designed to…

Computation and Language · Computer Science 2025-10-01 Yixuan Weng , Minjun Zhu , Qiujie Xie , Qiyao Sun , Zhen Lin , Sifan Liu , Yue Zhang

Complex agentic AI systems, powered by a coordinated ensemble of Large Language Models (LLMs), tool and memory modules, have demonstrated remarkable capabilities on intricate, multi-turn tasks. However, this success is shadowed by…

Computation and Language · Computer Science 2026-01-07 Guibin Zhang , Haiyang Yu , Kaiming Yang , Bingli Wu , Fei Huang , Yongbin Li , Shuicheng Yan

While Large Language Models (LLMs) achieve near-human performance on standard benchmarks, their capabilities often fail to generalize to complex, real-world problems. To bridge this gap, we introduce DeepQuestion, a scalable, automated…

Computation and Language · Computer Science 2026-03-02 Ali Khoramfar , Ali Ramezani , Mohammad Mahdi Mohajeri , Mohammad Javad Dousti , Majid Nili Ahmadabadi , Heshaam Faili

Assessing the capabilities of large multimodal models (LMMs) often requires the creation of ad-hoc evaluations. Currently, building new benchmarks requires tremendous amounts of manual work for each specific analysis. This makes the…

Artificial Intelligence · Computer Science 2024-06-19 Alessandro Conti , Enrico Fini , Paolo Rota , Yiming Wang , Massimiliano Mancini , Elisa Ricci

Mathematical optimization is fundamental to decision-making across diverse domains, from operations research to healthcare. Yet, translating real-world problems into optimization models remains a difficult task, often demanding specialized…

Machine Learning · Computer Science 2025-06-06 Nicolás Astorga , Tennison Liu , Yuanzhang Xiao , Mihaela van der Schaar

Test-time scaling (TTS) enhances the performance of large language models (LLMs) by allocating additional compute resources during inference. However, existing research primarily investigates TTS in single-stage tasks; while many real-world…

Artificial Intelligence · Computer Science 2025-10-23 Fali Wang , Hui Liu , Zhenwei Dai , Jingying Zeng , Zhiwei Zhang , Zongyu Wu , Chen Luo , Zhen Li , Xianfeng Tang , Qi He , Suhang Wang

People commonly leverage structured content to accelerate knowledge acquisition and research problem solving. Among these, roadmaps guide researchers through hierarchical subtasks to solve complex research problems step by step. Despite…

Computation and Language · Computer Science 2026-05-01 Jiacheng Liu , Zichen Tang , Zhongjun Yang , Xinyi Hu , Xueyuan Lin , Linwei Jia , Ruofei Bai , Rongjin Li , Shiyao Peng , Haocheng Gao , Haihong E

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

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

Can a single LLM-based optimization system match specialized tools across fundamentally different domains? We show that when optimization problems are formulated as improving a text artifact evaluated by a scoring function, a single…

LLM agents increasingly operate in open-ended environments spanning hundreds of sequential episodes, yet they remain largely stateless: each task is solved from scratch without converting past experience into better future behavior. The…

Computation and Language · Computer Science 2026-04-24 Wujiang Xu , Jiaojiao Han , Minghao Guo , Kai Mei , Xi Zhu , Han Zhang , Dimitris N. Metaxas

The pace of scientific research, vital for improving human life, is complex, slow, and needs specialized expertise. Meanwhile, novel, impactful research often stems from both a deep understanding of prior work, and a cross-pollination of…

Computation and Language · Computer Science 2025-02-11 Jinheon Baek , Sujay Kumar Jauhar , Silviu Cucerzan , Sung Ju Hwang

Optimization is ubiquitous in our daily lives. In the past, (sub-)optimal solutions to any problem have been derived by trial and error, sheer luck, or the expertise of knowledgeable individuals. In our contemporary age, there thankfully…

Neural and Evolutionary Computing · Computer Science 2023-12-07 Raphael Patrick Prager

Among the hardest tasks for humans are those found in competitive programming where problems require sophisticated algorithmic thinking, puzzle solving, and the creation of effective code. As a domain to assess language models (LMs), it has…

Computation and Language · Computer Science 2025-09-03 Md Tanzib Hosain , Md Kishor Morol

The integration of Large Language Models (LLMs) into evolutionary frameworks has established a new paradigm for automated heuristic discovery. Despite their promise, these methods typically search in the discrete space of program syntax,…

Artificial Intelligence · Computer Science 2026-05-19 Cheikh Ahmed , Mahdi Mostajabdaveh , Zirui Zhou