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Related papers: Automated Scientific Discovery: From Equation Disc…

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We show that multi-agent systems guided by vision-language models (VLMs) improve end-to-end autonomous scientific discovery. By treating plots as verifiable checkpoints, a VLM-as-a-judge evaluates figures against dynamically generated…

Computation and Language · Computer Science 2025-11-19 Kahaan Gandhi , Boris Bolliet , Inigo Zubeldia

The breakthrough in Deep Learning neural networks has transformed the use of AI and machine learning technologies for the analysis of very large experimental datasets. These datasets are typically generated by large-scale experimental…

Machine Learning · Computer Science 2021-10-26 Jeyan Thiyagalingam , Mallikarjun Shankar , Geoffrey Fox , Tony Hey

Transformer-based large language models are rapidly advancing in the field of machine learning research, with applications spanning natural language, biology, chemistry, and computer programming. Extreme scaling and reinforcement learning…

Chemical Physics · Physics 2023-04-12 Daniil A. Boiko , Robert MacKnight , Gabe Gomes

Automated algorithm design is entering a new phase: Large Language Models can now generate full optimisation (meta)heuristics, explore vast design spaces and adapt through iterative feedback. Yet this rapid progress is largely…

Artificial Intelligence · Computer Science 2025-11-21 Niki van Stein , Anna V. Kononova , Thomas Bäck

Recent development in Artificial Intelligence (AI) models has propelled their application in scientific discovery, but the validation and exploration of these discoveries require subsequent empirical experimentation. The concept of…

Robotics · Computer Science 2024-11-04 Yu-Zhe Shi , Fanxu Meng , Haofei Hou , Zhangqian Bi , Qiao Xu , Lecheng Ruan , Qining Wang

Science laboratory automation enables accelerated discovery in life sciences and materials. However, it requires interdisciplinary collaboration to address challenges such as robust and flexible autonomy, reproducibility, throughput,…

Analogies have been central to creative problem-solving throughout the history of science and technology. As the number of scientific papers continues to increase exponentially, there is a growing opportunity for finding diverse solutions…

Human-Computer Interaction · Computer Science 2022-06-01 Hyeonsu B. Kang , Xin Qian , Tom Hope , Dafna Shahaf , Joel Chan , Aniket Kittur

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…

Artificial Intelligence · Computer Science 2026-02-04 Zhen Wang , Fan Bai , Zhongyan Luo , Jinyan Su , Kaiser Sun , Xinle Yu , Jieyuan Liu , Kun Zhou , Claire Cardie , Mark Dredze , Eric P. Xing , Zhiting Hu

The rapid evolution of artificial intelligence has led to expectations of transformative impact on science, yet current systems remain fundamentally limited in enabling genuine scientific discovery. This perspective contends that progress…

Artificial Intelligence · Computer Science 2025-12-16 Karthik Duraisamy

Scientific progress in Earth science depends on integrating data across the planet's interconnected spheres. However, the accelerating volume and fragmentation of multi-sphere knowledge and data have surpassed human analytical capacity.…

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based…

Artificial Intelligence · Computer Science 2026-02-03 Shuo Ren , Can Xie , Pu Jian , Zhenjiang Ren , Chunlin Leng , Jiajun Zhang

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

Machine Learning · Computer Science 2024-07-23 Mengge Du , Yuntian Chen , Zhongzheng Wang , Longfeng Nie , Dongxiao Zhang

Deep learning (DL) has proven to be a highly effective approach for developing models in diverse contexts, including visual perception, speech recognition, and machine translation. However, the end-to-end process for applying DL is not…

Machine Learning · Computer Science 2022-05-18 Xuanyi Dong , David Jacob Kedziora , Katarzyna Musial , Bogdan Gabrys

As the volume of published scholarly literature continues to grow, finding relevant literature becomes increasingly difficult. With the rise of generative Artificial Intelligence (AI), and particularly Large Language Models (LLMs), new…

Information Retrieval · Computer Science 2025-12-19 Allard Oelen , Mohamad Yaser Jaradeh , Sören Auer

Rooted in the explosion of deep learning over the past decade, this thesis spans from AlphaGo to ChatGPT to empirically examine the fundamental concepts needed to realize the vision of an artificial scientist: a machine with the capacity to…

Artificial Intelligence · Computer Science 2025-05-02 Antonio Norelli

There has been unprecedented interest in developing agents that expand the boundary of scientific discovery, primarily by optimizing quantitative objective functions specified by scientists. However, for grand challenges in science, these…

With the rapid development of Large Language Models (LLMs), AI agents have demonstrated increasing proficiency in scientific tasks, ranging from hypothesis generation and experimental design to manuscript writing. Such agent systems are…

While LLMs have shown impressive capabilities in solving math or coding problems, the ability to make scientific discoveries remains a distinct challenge. This paper proposes a "Turing test for an AI scientist" to assess whether an AI agent…

Artificial Intelligence · Computer Science 2024-05-24 Xiaoxin Yin

Artificial Intelligence (AI) is a powerful new language of science as evidenced by recent Nobel Prizes in chemistry and physics that recognized contributions to AI applied to those areas. Yet, this new language lacks semantics, which makes…

Artificial Intelligence · Computer Science 2025-11-05 Artur d'Avila Garcez , Simon Odense

As AI promises to accelerate scientific discovery, it remains unclear whether fully AI-driven research is possible and whether it can adhere to key scientific values, such as transparency, traceability and verifiability. Mimicking human…

Other Quantitative Biology · Quantitative Biology 2024-04-30 Tal Ifargan , Lukas Hafner , Maor Kern , Ori Alcalay , Roy Kishony