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Related papers: Can Language Models Discover Scaling Laws?

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The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

Biomolecules · Quantitative Biology 2025-04-01 Bowen Gao , Yanwen Huang , Yiqiao Liu , Wenxuan Xie , Wei-Ying Ma , Ya-Qin Zhang , Yanyan Lan

Agentic systems have transformed how Large Language Models (LLMs) can be leveraged to create autonomous systems with goal-directed behaviors, consisting of multi-step planning and the ability to interact with different environments. These…

Artificial Intelligence · Computer Science 2026-01-27 Judy Zhu , Dhari Gandhi , Himanshu Joshi , Ahmad Rezaie Mianroodi , Sedef Akinli Kocak , Dhanesh Ramachandran

Agents based on large language models have shown great potential in accelerating scientific discovery by leveraging their rich background knowledge and reasoning capabilities. In this paper, we introduce BioDiscoveryAgent, an agent that…

Artificial Intelligence · Computer Science 2025-03-11 Yusuf Roohani , Andrew Lee , Qian Huang , Jian Vora , Zachary Steinhart , Kexin Huang , Alexander Marson , Percy Liang , Jure Leskovec

Large Language Model (LLM) based agents are powerful yet fundamentally static after deployment, lacking the ability to autonomously expand capabilities, generate new tools, or evolve their reasoning. This work introduces a hierarchical…

Computation and Language · Computer Science 2026-01-21 Indrajit Kar , Sammy Zonunpuia , Zonunfeli Ralte

Language is essentially a complex, intricate system of human expressions governed by grammatical rules. It poses a significant challenge to develop capable AI algorithms for comprehending and grasping a language. As a major approach,…

Large Language Models (LLMs) have advanced artificial intelligence by enabling human-like text generation and natural language understanding. However, their reliance on static training data limits their ability to respond to dynamic,…

Artificial Intelligence · Computer Science 2026-04-02 Aditi Singh , Abul Ehtesham , Saket Kumar , Tala Talaei Khoei , Athanasios V. Vasilakos

Climate research is pivotal for mitigating global environmental crises, yet the accelerating volume of multi-scale datasets and the complexity of analytical tools have created significant bottlenecks, constraining scientific discovery to…

Artificial Intelligence · Computer Science 2026-04-28 Hao Wang , Jindong Han , Wei Fan , Hao Liu

We introduce a novel large language model (LLM)-driven agent framework, which iteratively refines queries and filters contextual evidence by leveraging dynamically evolving knowledge. A defining feature of the system is its decoupling of…

Artificial Intelligence · Computer Science 2025-04-02 Seyoung Song

Large foundation models are typically trained on data from multiple domains, with the data mixture--the proportion of each domain used--playing a critical role in model performance. The standard approach to selecting this mixture relies on…

Machine Learning · Computer Science 2025-10-03 Mustafa Shukor , Louis Bethune , Dan Busbridge , David Grangier , Enrico Fini , Alaaeldin El-Nouby , Pierre Ablin

For a long time, humanity has pursued artificial intelligence (AI) equivalent to or surpassing the human level, with AI agents considered a promising vehicle for this pursuit. AI agents are artificial entities that sense their environment,…

Using multiple agents was found to improve the debugging capabilities of Large Language Models. However, increasing the number of LLM-agents has several drawbacks such as increasing the running costs and rising the risk for the agents to…

Software Engineering · Computer Science 2025-04-28 Yacine Majdoub , Eya Ben Charrada , Haifa Touati

Large language models (LLMs) have demonstrated strong coding capabilities but still struggle to solve competitive programming problems correctly in a single attempt. Execution-based re-ranking offers a promising test-time scaling strategy,…

Computation and Language · Computer Science 2026-02-05 Zeyao Ma , Jing Zhang , Xiaokang Zhang , Jiaxi Yang , Zongmeng Zhang , Jiajun Zhang , Yuheng Jing , Lei Zhang , Hao Zheng , Wenting Zhao , Junyang Lin , Binyuan Hui

Relational learning is a challenging problem that has motivated a wide range of approaches, including graph-based models (e.g., graph neural networks, graph transformers), tabular methods (e.g., tabular foundation models), and…

Machine Learning · Computer Science 2026-05-11 Xingyue Huang , Louis Tichelman , Jinwoo Kim , Krzysztof Olejniczak , İsmail İlkan Ceylan

Context: Manual qualitative data analysis is time-intensive and can compromise validity and replicability, affecting analysis design, implementation, and reporting. Large Language Models (LLMs) enable human-bot collaboration in Software…

Software Engineering · Computer Science 2025-10-14 Zeeshan Rasheed , Muhammad Waseem , Aakash Ahmad , Kai-Kristian Kemell , Wang Xiaofeng , Anh Nguyen Duc , Pekka Abrahamsson

The recent advance in Large Language Models (LLMs) has shaped a new paradigm of AI agents, i.e., LLM-based agents. Compared to standalone LLMs, LLM-based agents substantially extend the versatility and expertise of LLMs by enhancing LLMs…

Software Engineering · Computer Science 2025-12-04 Junwei Liu , Kaixin Wang , Yixuan Chen , Xin Peng , Zhenpeng Chen , Lingming Zhang , Yiling Lou

Scaling law principles indicate a power-law correlation between loss and variables such as model size, dataset size, and computational resources utilized during training. These principles play a vital role in optimizing various aspects of…

Machine Learning · Computer Science 2024-04-08 Hui Su , Zhi Tian , Xiaoyu Shen , Xunliang Cai

The pursuit of human-level artificial intelligence (AI) has significantly advanced the development of autonomous agents and Large Language Models (LLMs). LLMs are now widely utilized as decision-making agents for their ability to interpret…

Recent advances in skeleton-based action recognition increasingly leverage semantic priors from Large Language Models (LLMs) to enrich skeletal representations. However, the LLM is typically queried in isolation from the recognition model…

Computer Vision and Pattern Recognition · Computer Science 2026-03-13 Hongda Liu , Yunfan Liu , Changlu Wang , Yunlong Wang , Zhenan Sun

Agents equipped with search tools have emerged as effective solutions for knowledge-intensive tasks. While Large Language Models (LLMs) exhibit strong reasoning capabilities, their high computational cost limits practical deployment for…

Artificial Intelligence · Computer Science 2026-04-07 Yizhou Liu , Qi Sun , Yulin Chen , Siyue Zhang , Chen Zhao

Large Language Models (LLMs) have made significant progress in handling complex programming tasks. However, current methods rely on manual model selection and fixed workflows, which limit their ability to adapt to changing task…

Software Engineering · Computer Science 2026-03-18 Yulin Peng , Haowen Hou , Xinxin Zhu , Ying Tiffany He , F. Richard Yu