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Related papers: Evaluation-driven Scaling for Scientific Discovery

200 papers

In many scientific fields, large language models (LLMs) have revolutionized the way text and other modalities of data (e.g., molecules and proteins) are handled, achieving superior performance in various applications and augmenting the…

Computation and Language · Computer Science 2024-10-01 Yu Zhang , Xiusi Chen , Bowen Jin , Sheng Wang , Shuiwang Ji , Wei Wang , Jiawei Han

Test-time scaling (TTS), which involves dynamic allocation of compute during inference, offers a promising way to improve reasoning in large language models. While existing TTS methods work well, they often rely on long decoding paths or…

Computation and Language · Computer Science 2025-05-26 Aradhye Agarwal , Ayan Sengupta , Tanmoy Chakraborty

Large language models (LLMs) can improve reasoning at inference time through test-time scaling (TTS), where multiple reasoning traces are generated and the best one is selected. Prior work shows that increasing the number of samples K…

Artificial Intelligence · Computer Science 2025-10-06 Yuheng Wu , Azalia Mirhoseini , Thierry Tambe

Test-time scaling (TTS) has recently emerged as a promising direction to exploit the hidden reasoning capabilities of pre-trained large language models (LLMs). However, existing scaling methods narrowly focus on the compute-optimal…

Performance · Computer Science 2025-09-25 Youpeng Zhao , Jinpeng LV , Di Wu , Jun Wang , Christopher Gooley

Test-time scaling (TTS) has emerged as a new frontier for scaling the performance of Large Language Models. In test-time scaling, by using more computational resources during inference, LLMs can improve their reasoning process and task…

Computation and Language · Computer Science 2025-09-10 V Venktesh , Mandeep Rathee , Avishek Anand

Evaluating the capabilities and risks of foundation models is paramount, yet current methods demand extensive domain expertise, hindering their scalability as these models rapidly evolve. We introduce SKATE: a novel evaluation framework in…

Artificial Intelligence · Computer Science 2026-02-13 Dewi S. W. Gould , Bruno Mlodozeniec , Samuel F. Brown

Large language models (LLMs) achieve strong reasoning performance by allocating substantial computation at inference time, often generating long and verbose reasoning traces. While recent work on efficient reasoning reduces this overhead…

Computation and Language · Computer Science 2026-04-28 Han Wang , Xiaodong Yu , Jialian Wu , Jiang Liu , Ximeng Sun , Mohit Bansal , Zicheng Liu

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their…

Computation and Language · Computer Science 2025-06-10 Parshin Shojaee , Ngoc-Hieu Nguyen , Kazem Meidani , Amir Barati Farimani , Khoa D Doan , Chandan K Reddy

Recent advancements in software engineering agents have demonstrated promising capabilities in automating program improvements. However, their reliance on closed-source or resource-intensive models introduces significant deployment…

Software Engineering · Computer Science 2025-04-09 Yingwei Ma , Yongbin Li , Yihong Dong , Xue Jiang , Rongyu Cao , Jue Chen , Fei Huang , Binhua Li

Discovering the governing equations of dynamical systems is a central problem across many scientific disciplines. As experimental data become increasingly available, automated equation discovery methods offer a promising data-driven…

Machine Learning · Computer Science 2026-04-07 Amirmohammad Ziaei Bideh , Jonathan Gryak

Large Language Model (LLM) agents can increasingly automate complex reasoning through Test-Time Scaling (TTS), iterative refinement guided by reward signals. However, many real-world tasks involve multi-stage pipeline whose final outcomes…

Machine Learning · Computer Science 2025-12-30 Shuyu Gan , James Mooney , Pan Hao , Renxiang Wang , Mingyi Hong , Qianwen Wang , Dongyeop Kang

Scientific literature is growing exponentially, creating a critical bottleneck for researchers to efficiently synthesize knowledge. While general-purpose Large Language Models (LLMs) show potential in text processing, they often fail to…

Computation and Language · Computer Science 2025-09-11 Fengyu She , Nan Wang , Hongfei Wu , Ziyi Wan , Jingmian Wang , Chang Wang

Robust and comprehensive evaluation of large language models (LLMs) is essential for identifying effective LLM system configurations and mitigating risks associated with deploying LLMs in sensitive domains. However, traditional statistical…

Computation and Language · Computer Science 2026-05-08 Adam Dejl , Jonathan Pearson

LLMs can solve complex tasks by generating long, multi-step reasoning chains. Test-time scaling (TTS) can further improve performance by sampling multiple variants of intermediate reasoning steps, verifying their correctness, and selecting…

The rapid advancement of Large Language Models (LLMs) has led to performance saturation on many established benchmarks, questioning their ability to distinguish frontier models. Concurrently, existing high-difficulty benchmarks often suffer…

Large Language Models (LLMs) exhibit world knowledge and inference capabilities, making them powerful tools for various applications. This paper proposes a feedback loop mechanism that leverages these capabilities to tune Evolution…

Machine Learning · Computer Science 2024-05-21 Oliver Kramer

As AI models tackle increasingly complex problems, ensuring reliable human oversight becomes more challenging due to the difficulty of verifying solutions. Approaches to scaling AI supervision include debate, in which two agents engage in…

Artificial Intelligence · Computer Science 2025-04-01 Gabriel Recchia , Chatrik Singh Mangat , Issac Li , Gayatri Krishnakumar

This paper presents a novel framework for enhancing reasoning capabilities in large language models (LLMs) by leveraging iterative reasoning and feedback-driven methodologies. Building on the limitations identified in the SimpleBench…

Computation and Language · Computer Science 2024-12-18 Soham Sane , Angus McLean

Large language models (LLMs) have recently achieved significant success across various application domains, garnering substantial attention from different communities. Unfortunately, even for the best LLM, many \textit{faults} still exist…

Software Engineering · Computer Science 2024-11-06 Qiang Hu , Jin Wen , Maxime Cordy , Yuheng Huang , Wei Ma , Xiaofei Xie , Lei Ma

Reinforcement learning in large language models (LLMs) often relies on scalar rewards, a practice that discards valuable textual rationale buried in the rollouts, forcing the model to explore \textit{de novo} with each attempt and hindering…

Machine Learning · Computer Science 2025-10-21 Ang Li , Yifei Wang , Zhihang Yuan , Stefanie Jegelka , Yisen Wang