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Clinical trials are critical for advancing medical treatments but remain prohibitively expensive and time-consuming. Accurate prediction of clinical trial outcomes can significantly reduce research and development costs and accelerate drug…

Machine Learning · Computer Science 2025-06-06 Fengze Liu , Haoyu Wang , Joonhyuk Cho , Dan Roth , Andrew W. Lo

The process of scientific discovery relies on an interplay of observations, analysis, and hypothesis generation. Machine learning is increasingly being adopted to address individual aspects of this process. However, it remains an open…

Artificial Intelligence · Computer Science 2026-05-26 Maximilian Nägele , Florian Marquardt

The availability of tera-byte scale experiment data calls for AI driven approaches which automatically discover scientific models from data. Nonetheless, significant challenges present in AI-driven scientific discovery: (i) The annotation…

Computer Vision and Pattern Recognition · Computer Science 2023-11-23 Md Nasim , Anter El-Azab , Xinghang Zhang , Yexiang Xue

Scientific discovery has long been constrained by human limitations in expertise, physical capability, and sleep cycles. The recent rise of AI scientists and automated laboratories has accelerated both the cognitive and operational aspects…

Autonomous driving presents a complex challenge, which is usually addressed with artificial intelligence models that are end-to-end or modular in nature. Within the landscape of modular approaches, a bio-inspired neural circuit policy model…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Anass Bairouk , Mirjana Maras , Simon Herlin , Alexander Amini , Marc Blanchon , Ramin Hasani , Patrick Chareyre , Daniela Rus

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a…

The promise of autonomous scientific discovery (ASD) hinges not only on answering questions, but also on knowing which questions to ask. Most recent works in ASD explore the use of large language models (LLMs) in goal-driven settings,…

We introduce CausaLab, a scalable environment for evaluating interactive causal discovery by LLM agents. Unlike prior evaluations, CausaLab evaluates both whether an agent can solve a problem using causal evidence and whether its answer is…

Artificial Intelligence · Computer Science 2026-05-29 Junlin Yang , Dylan Zhang , Xiangchen Song , Qirun Dai , Xiao Liu , Yuen Chen , Aniket Vashishtha , Jing Shi , Chenhao Tan , Hao Peng

Trust and interpretability are crucial for the use of Artificial Intelligence (AI) in scientific research, but current models often operate as black boxes offering limited transparency and justifications for their outputs. We introduce…

Machine learning is increasingly transforming various scientific fields, enabled by advancements in computational power and access to large data sets from experiments and simulations. As artificial intelligence (AI) continues to grow in…

Computational Physics · Physics 2025-04-01 Sebastian Johann Wetzel , Seungwoong Ha , Raban Iten , Miriam Klopotek , Ziming Liu

Autonomous research systems increasingly make the scientific workflow executable: agents can propose ideas, run code, inspect results, and draft papers. But executable workflows do not by themselves produce research judgment. We analyze…

Multiagent Systems · Computer Science 2026-05-22 Chengcheng Wang , Qinhua Xie , Wei He , Jianyuan Guo , Shiqi Wang , Chang Xu

Automated scientific discovery with large language models is transforming the research lifecycle from ideation to experimentation, yet existing agents struggle to autonomously process raw data collected from scientific experiments. We…

Artificial Intelligence · Computer Science 2026-04-29 Ke Lin , Yilin Lu , Shreyas Bhat , Xuehang Guo , Junier Oliva , Qingyun Wang

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

With the continuing advances in scientific instrumentation, scanning microscopes are now able to image physical systems with up to sub-atomic-level spatial resolutions and sub-picosecond time resolutions. Commensurately, they are generating…

New technologies have led to vast troves of large and complex datasets across many scientific domains and industries. People routinely use machine learning techniques to not only process, visualize, and make predictions from this big data,…

Machine Learning · Statistics 2023-08-04 Genevera I. Allen , Luqin Gan , Lili Zheng

The unification of low-level perception and high-level reasoning is a long-standing problem in artificial intelligence, which has the potential to not only bring the areas of logic and learning closer together but also demonstrate how…

Artificial Intelligence · Computer Science 2019-11-27 Anton Fuxjaeger , Vaishak Belle

The cognitive sciences aim to understand intelligence by formalizing underlying operations as computational models. Traditionally, this follows a cycle of discovery where researchers develop paradigms, collect data, and test predefined…

Artificial Intelligence · Computer Science 2026-03-24 Akshay K. Jagadish , Milena Rmus , Kristin Witte , Marvin Mathony , Marcel Binz , Eric Schulz

Recent advances in agentic AI have enabled increasingly autonomous workflows, but existing systems still face substantial challenges in achieving reliable deployment in real-world scientific research. In this work, we present a safe,…

Artificial Intelligence · Computer Science 2026-04-16 Qibin Liu , Julia Gonski

Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery. The promise of this field has given rise to a rich community of passionate scientists,…

Spiking Neural Networks are a recent and new neural network design approach that promises tremendous improvements in power efficiency, computation efficiency, and processing latency. They do so by using asynchronous spike-based data flow,…

Computer Vision and Pattern Recognition · Computer Science 2022-06-08 Sambit Mohapatra , Thomas Mesquida , Mona Hodaei , Senthil Yogamani , Heinrich Gotzig , Patrick Mader