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Related papers: Artificial Scientific Discovery

200 papers

The central challenge of AI for Science is not reasoning alone, but the ability to create computational methods in an open-ended scientific world. Existing LLM-based agents rely on static, pre-defined tool libraries, a paradigm that…

Artificial Intelligence · Computer Science 2026-01-13 Jiaxuan Lu , Ziyu Kong , Yemin Wang , Rong Fu , Haiyuan Wan , Cheng Yang , Wenjie Lou , Haoran Sun , Lilong Wang , Yankai Jiang , Xiaosong Wang , Xiao Sun , Dongzhan Zhou

The rise of big data has amplified the need for efficient, user-friendly automated machine learning (AutoML) tools. However, the intricacy of understanding domain-specific data and defining prediction tasks necessitates human intervention…

Computation and Language · Computer Science 2023-05-24 Md Mahadi Hassan , Alex Knipper , Shubhra Kanti Karmaker Santu

Deep learning bears promise for drug discovery, including advanced image analysis, prediction of molecular structure and function, and automated generation of innovative chemical entities with bespoke properties. Despite the growing number…

Artificial Intelligence · Computer Science 2020-07-03 José Jiménez-Luna , Francesca Grisoni , Gisbert Schneider

Explanatory inference is the creation and evaluation of hypotheses that provide explanations, and is sometimes known as abduction or abductive inference. Generative AI is a new set of artificial intelligence models based on novel algorithms…

Artificial Intelligence · Computer Science 2024-09-20 Paul Thagard

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…

Human-AI scientific collaboration has evolved from tool-user relationships into co-evolutionary partnerships. When AlphaFold improved protein structure prediction, researchers engaged with an epistemic partner that transformed their…

Human-Computer Interaction · Computer Science 2025-10-13 Xule Lin

Bold claims about AI's role in science-from "AGI will cure all diseases" to promises of radically accelerated discovery-raise a central epistemic question: do large language models (LLMs) truly generate new knowledge, or do they merely…

Machine Learning · Computer Science 2025-11-26 Robert Yang

Language models show a surprising range of capabilities, but the source of their apparent competence is unclear. Do these networks just memorize a collection of surface statistics, or do they rely on internal representations of the process…

Machine Learning · Computer Science 2024-06-27 Kenneth Li , Aspen K. Hopkins , David Bau , Fernanda Viégas , Hanspeter Pfister , Martin Wattenberg

The AlphaGo, AlphaGo Zero, and AlphaZero series of algorithms are remarkable demonstrations of deep reinforcement learning's capabilities, achieving superhuman performance in the complex game of Go with progressively increasing autonomy.…

Artificial Intelligence · Computer Science 2022-06-06 Yuandong Tian , Jerry Ma , Qucheng Gong , Shubho Sengupta , Zhuoyuan Chen , James Pinkerton , C. Lawrence Zitnick

Artificial intelligence has demonstrated remarkable capability in predicting scientific properties, yet scientific discovery remains an inherently physical, long-horizon pursuit governed by experimental cycles. Most current computational…

Artificial Intelligence · Computer Science 2026-03-23 Xiang Zhuang , Chenyi Zhou , Kehua Feng , Zhihui Zhu , Yunfan Gao , Yijie Zhong , Yichi Zhang , Junjie Huang , Keyan Ding , Lei Bai , Haofen Wang , Qiang Zhang , Huajun Chen

Artificial Intelligence (AI) systems have made remarkable progress, attaining super-human performance across various domains. This presents us with an opportunity to further human knowledge and improve human expert performance by leveraging…

Artificial Intelligence · Computer Science 2023-10-26 Lisa Schut , Nenad Tomasev , Tom McGrath , Demis Hassabis , Ulrich Paquet , Been Kim

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

Artificial intelligence is undergoing a profound transition from a computational instrument to an autonomous originator of scientific knowledge. This emerging paradigm, the AI scientist, is architected to emulate the complete scientific…

Artificial Intelligence · Computer Science 2026-01-21 Guiyao Tie , Pan Zhou , Lichao Sun

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

In the domain of scientific imaging, interpreting visual data often demands an intricate combination of human expertise and deep comprehension of the subject materials. This study presents a novel methodology to linguistically emulate and…

Machine Learning · Computer Science 2023-09-27 Abdulelah S. Alshehri , Franklin L. Lee , Shihu Wang

Large language models are a form of artificial intelligence systems whose primary knowledge consists of the statistical patterns, semantic relationships, and syntactical structures of language1. Despite their limited forms of "knowledge",…

Artificial Intelligence · Computer Science 2023-10-13 Yizhen Zheng , Huan Yee Koh , Jiaxin Ju , Anh T. N. Nguyen , Lauren T. May , Geoffrey I. Webb , Shirui Pan

Large language models (LLMs) are increasingly used in scientific research and discovery, supporting tasks ranging from literature retrieval and synthesis to hypothesis generation, autonomous experimentation, and research evaluation.…

Digital Libraries · Computer Science 2026-05-13 Haoxuan Zhang , Ruochi Li , Yang Zhang , Ting Xiao , Jiangping Chen , Junhua Ding , Haihua Chen

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

One of the grand challenges of artificial general intelligence is developing agents capable of conducting scientific research and discovering new knowledge. While frontier models have already been used as aides to human scientists, e.g. for…

Artificial Intelligence · Computer Science 2024-09-04 Chris Lu , Cong Lu , Robert Tjarko Lange , Jakob Foerster , Jeff Clune , David Ha

The thesis describes a logical formalization of natural-language database interfacing. We assume the existence of a ``natural language engine'' capable of mediating between surface linguistic string and their representations as ``literal''…

cmp-lg · Computer Science 2008-02-03 Manny Rayner