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Related papers: Toward Building Science Discovery Machines

200 papers

Recent research suggests that it may be possible to build conscious AI systems now or in the near future. Conscious AI systems would arguably deserve moral consideration, and it may be the case that large numbers of conscious systems could…

Artificial Intelligence · Computer Science 2025-01-14 Patrick Butlin , Theodoros Lappas

The potential of AI researchers in scientific discovery remains largely untapped. Over the past decade, AI for Science (AI4Science) publications in 145 Nature Index journals have increased fifteen-fold, yet they still account for less than…

Computers and Society · Computer Science 2025-09-24 Hengjie Yu , Shuya Liu , Haiyun Yang , Yuping Yan , Maozhen Qu , Yaochu Jin

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

The field of astronomy has arrived at a turning point in terms of size and complexity of both datasets and scientific collaboration. Commensurately, algorithms and statistical models have begun to adapt --- e.g., via the onset of artificial…

Data-driven science is an emerging paradigm where scientific discoveries depend on the execution of computational AI models against rich, discipline-specific datasets. With modern machine learning frameworks, anyone can develop and execute…

Machine Learning · Computer Science 2022-08-09 Seth Ockerman , John Wu , Christopher Stewart

The world is structured in countless ways. It may be prudent to enforce corresponding structural properties to a learning algorithm's solution, such as incorporating prior beliefs, natural constraints, or causal structures. Doing so may…

Machine Learning · Computer Science 2021-11-30 Francesco Locatello

Scientific discovery is mediated by ideas that, after being formulated in hypotheses, can be tested, validated, and quantified before they eventually lead to accepted concepts. Computer-mediated discovery in astrophysics is no exception,…

Instrumentation and Methods for Astrophysics · Physics 2018-09-17 Simon Portegies Zwart

Machine Learning algorithms are good tools for both classification and prediction purposes. These algorithms can further be used for scientific discoveries from the enormous data being collected in our era. We present ways of discovering…

Instrumentation and Methods for Astrophysics · Physics 2021-02-26 Shraddha Surana , Yogesh Wadadekar , Divya Oberoi

AI researchers employ not only the scientific method, but also methodology from mathematics and engineering. However, the use of the scientific method - specifically hypothesis testing - in AI is typically conducted in service of…

Unsupervised machine learning is widely used to mine large, unlabeled datasets to make data-driven discoveries in critical domains such as climate science, biomedicine, astronomy, chemistry, and more. However, despite its widespread…

Machine Learning · Computer Science 2025-06-06 Andersen Chang , Tiffany M. Tang , Tarek M. Zikry , Genevera I. Allen

Advances in artificial intelligence (AI) promise autonomous discovery, yet most systems still resurface knowledge latent in their training data. We present Sparks, a multi-modal multi-agent AI model that executes the entire discovery cycle…

Artificial Intelligence · Computer Science 2025-04-29 Alireza Ghafarollahi , Markus J. Buehler

Experimental particle physics seeks to understand the universe by probing its fundamental particles and forces and exploring how they govern the large-scale processes that shape cosmic evolution. This whitepaper presents a vision for how…

High Energy Physics - Experiment · Physics 2026-02-20 Thea Klaeboe Aarrestad , Alaa Abdelhamid , Haider Abidi , Jahred Adelman , Jennifer Adelman-McCarthy , Shuchin Aeron , Garvita Agarwal , Usman Ali , Cristiano Alpigiani , Omar Alterkait , Mohamed Aly , Oz Amram , Saeed Ansari Fard , Aram Apyan , John Arrington , Marvin Ascencio-Sosa , Mohammad Atif , Aneesha Avasthi , Muhammad Bilal Azam , Bhim Bam , Joshua Barrow , Rainer Bartoldus , Amit Bashyal , Aashwin Basnet , Ayse Bat , Lothar A. T. Bauerdick , John Beacom , Chris Bee , Michael Begel , Matthew Bellis , Rene Bellwied , Rakitha Beminiwattha , Gabriele Benelli , Douglas Benjamin , Catrin Bernius , Binod Bhandari , Avinay Bhat , Meghna Bhattacharya , Saptaparna Bhattacharya , Prajita Bhattarai , Sudip Bhattarai , Wahid Bhimji , Jianming Bian , Burak Bilki , Mary Bishai , Kevin Black , Kenneth Bloom , Brian Bockelman , Johan Sebastian Bonilla Castro , Tulika Bose , Nilay Bostan , Othmane Bouhali , Dimitri Bourilkov , Dominic Brailsford , Gustaaf Brooijmans , Elizabeth Brost , Maria Brigida Brunetti , Quentin Buat , Brendon Bullard , Jackson Burzynski , Paolo Calafiura , Rodolfo Capdevilla , Fabian Andres Castaño Usuga , Raquel Castillo Fernandez , Fabio Catalano , Viviana Cavaliere , Flavio Cavanna , Giuseppe Cerati , Aidan Chambers , Maria Chamizo-Llatas , Philip Chang , Andrew Chappell , Arghya Chattopadhyay , Sergei Chekanov , Jian-ping Chen , Yi Chen , Zhengyang Chen , J. Taylor Childers , Hector Chinchay , Yuan-Tang Chou , Tasnuva Chowdhury , Neil Christensen , Wonyong Chung , Rafael Coelho Lopes de Sa , Simon Corrodi , Kyle Cranmer , Matteo Cremonesi , Roy Cruz , Mate Csanad , Mariarosaria D'Alfonso , Carlo Dallapiccola , Daine Danielson , Sridhara Dasu , Gavin Davies , Kaushik De , Patrick de Perio , Klaus Dehmelt , Marco Del Tutto , Carlos Ruben Dell'Aquila , Sarah Demers , Paolo Desiati , Bhesha Devkota , Sparshita Dey , Ranjan Dharmapalan , Karri Folan Di Petrillo , Markus Diefenthaler , Jeff Dillon , Zelimir Djurcic , Caterina Doglioni , Francois Drielsma , Edmond Dukes , Irene Dutta , Peter Elmer , Johannes Elmsheuser , Victor Daniel Elvira , Harold Evans , Peter Fackeldey , Cristiano Fanelli , Hao Fang , Mattia Fani , Muhammad Farooq , Matthew Feickert , Ian Fisk , Sam Foreman , Alexander Friedland , Nuwan Chaminda G. W. , Louis-Guillaume Gagnon , Massimiliano Galli , Abhijith Gandrakota , Sudeshna Ganguly , Arianna Garcia Caffaro , Rob Gardner , Rocky Bala Garg , Lino Gerlach , Aishik Ghosh , Romulus Godang , Julia Gonski , Loukas Gouskos , Richard Gran , Heather Gray , Andrei Gritsan , Gaia Grosso , Craig Group , Jiawei Guo , Shubham Gupta , Gajendra Gurung , Phillip Gutierrez , Oliver Gutsche , Tyler Hague , Joseph Haley , Eva Halkiadakis , Francis Halzen , Michael Hance , Philip Harris , Harry Hausner , Karsten Heeger , Lukas Heinrich , Alexander Held , Matthew Herndon , Ken Herner , Max Herrmann , David Hertzog , Christian Herwig , Aaron Higuera , Alexander Himmel , Timothy Hobbs , Stefan Hoeche , Tova Holmes , Tae Min Hong , Ben Hooberman , Walter Hopkins , Jessica N. Howard , Shih-Chieh Hsu , Fengping Hu , Patrick Huber , Dirk Hufnagel , Daniel Humphreys , Ia Iashvili , Joseph Incandela , Josh Isaacson , Wasikul Islam , Kirill Ivanov , Wooyoung Jang , Naomi Jarvis , Brij Kishor Jashal , Pratik Jawahar , Dulitha Jayakodige , Torri Jeske , Sergo Jindariani , Jay Hyun Jo , Bhishm Shankar Joshi , Xiangyang Ju , Andreas Jung , Thomas Junk , Michael Kagan , Daisy Kalra , Matthias Kaminski , Edward Karavakis , Stefan Katsarov , Stergios Kazakos , Paul King , Michael Kirby , Max Knobbe , Young Ju Ko , Dmitry Kondratyev , Rostislav Konoplich , Charis Koraka , Scott Kravitz , Lukas Kretschmann , Brandon Kriesten , Georgios K Krintiras , Iason Krommydas , Michelle Kuchera , Audrey Kvam , Martin Kwok , Theodota Lagouri , Sabine Lammers , Eric Lancon , Greg Landsberg , David Lange , Kevin Lannon , Joseph Lau , Luca Lavezzo , Benjamin Lawrence-Sanderson , Duc-Truyen Le , Matt LeBlanc , Sung-Won Lee , Trevin Lee , Charles Leggett , Kayla Leonard DeHolton , James Letts , Hao Li , Haoyang Li , Aklima Khanam Lima , Guilherme Lima , Mia Liu , Qibin Liu , Yinrui Liu , Zhen Liu , Shivani Lomte , Guillermo Loustau de Linares , Lu Lu , Pietro Lugato , Adam Lyon , Yang Ma , Christopher Madrid , Akhtar Mahmood , Kendall Mahn , Devin Mahon , Akshay Malige , Sudhir Malik , Abhishikth Mallampalli , Yurii Maravin , Ralph Marinaro , Pete Markowitz , Matthew Maroun , Kyla Martinez , Verena Ingrid Martinez Outschoorn , Sanjit Masanam , Mario Masciovecchio , Konstantin Matchev , Malek Mazouz , Simone Mazza , Thomas McCauley , Shawn McKee , Karim Mehrabi , Poonam Mehta , Andrew Melo , Mark Messier , Elias Mettner , Christopher Meyer , Jessie Micallef , Sophie Middleton , David W. Miller , Hamlet Mkrtchyan , Abdollah Mohammadi , Abhinav Mohan , Ajit Mohapatra , Farouk Mokhtar , Peter Monaghan , Claudio Silverio Montanari , Michael Mooney , Casey Morean , Eric Moreno , Alexander Moreno Briceño , Stephen Mrenna , Justin Mueller , Daniel Murnane , Benjamin Nachman , Emilio Nanni , Nitish Nayak , Miquel Nebot-Guinot , Orgho Neogi , Chris Neu , Mark Neubauer , Norbert Neumeister , Harvey Newman , Duong Nguyen , Gavin Niendorf , Paul Nilsson , Scarlet Norberg , Andrzej Novak , Sungbin Oh , Isabel Ojalvo , Olaiya Olokunboyo , Yasar Onel , Joseph Osborn , Ianna Osborne , Arantza Oyanguren , Nurcan Ozturk , Paul Padley , Simone Pagan Griso , Pritam Palit , Bishnu Pandey , Vishvas Pandey , Zisis Papandreou , Ganesh Parida , Ki Ryeong Park , Ajib Paudel , Manfred Paulini , Christoph Paus , Gregory Pawloski , Kevin Pedro , Gabriel Perdue , Troels Christian Petersen , Alexey Petrov , Deborah Pinna , Marc-André Pleier , Andrea Pocar , Prafull Purohit , Nived Puthumana Meleppattu , Mateusz Płoskoń , Sitian Qian , Xin Qian , Geting Qin , Aleena Rafique , Srini Rajagopalan , Dylan Rankin , Rebecca Rapp , Salvatore Rappoccio , Rohit Raut , Sagar Regmi , Benedikt Riedel , Andres Rios-Tascon , Stephen Roche , Jenna Roderick , Rimsky Rojas , Dmitry Romanov , Subhojit Roy , Rita Sadek , Dikshant Sagar , Nihar Ranjan Sahoo , Tai Sakuma , Juan Pablo Salas , Mayly Sanchez , Jay Sandesara , Alexander Savin , Ryan Schmitz , Kate Scholberg , Henry Schreiner , Reinhard Schwienhorst , Gabriella Sciolla , Saba Sehrish , Seon-Hee , Seo , Elizabeth Sexton-Kennedy , Oksana Shadura , Bijaya Sharma , Varun Sharma , Suyog Shrestha , Ryan Simeon , Jack Simoni , Siddharth Singh , Kim Siyeon , Louise Skinnari , Jinseop Song , Simone Sottocornola , Alexandre Sousa , Sairam Sri Vatsavai , Giordon Stark , Justin Stevens , Tyler Stokes , Nadja Strobbe , Indara Suarez , Manjukrishna Suresh , Andrew Sutton , Holly Szumila-Vance , Vardan Tadevosyan , Anyes Taffard , Buddhiman Tamang , Hirohisa Tanaka , Erdinch Tatar , Abdel Nasser Tawfik , Vikas Teotia , Kazuhiro Terao , Mitanshu Thakore , Jesse Thaler , Ameya Thete , Inar Timiryasov , Anthony Timmins , Andrew Toler , Dat Tran , Nhan Tran , Patrick Tsang , Ho Fung Tsoi , Vakho Tsulaia , Pham Tuan , Christopher Tully , Shengquan Tuo , Richard Tyson , Darren Upton , Hilary Utaegbulam , Zoya Vallari , Peter van Gemmeren , Vassil Vassilev , Nikhilesh Venkatasubramanian , Renzo Vizarreta , Emmanouil Vourliotis , Ilija Vukotic , Carl Vuosalo , Liv Våge , Tammy Walton , Linyan Wan , Biao Wang , Gensheng Wang , Michael Wang , Yuxuan Wang , Gordon Watts , Yingjie Wei , Derek Weitzel , Shawn Westerdale , Andrew White , Leigh Whitehead , Michael Wilking , Mike Williams , Stephane Willocq , Jeffery Winkler , Frank Winklmeier , Holger Witte , Peter Wittich , Douglas Wright , Yongcheng Wu , Yujun Wu , Wei Xie , Fang Xu , Barbara Yaeggy , Zhen Yan , Liang Yang , Wei Yang , Alejandro Yankelevich , Yiheng Ye , Oguzhan Yer , Efe Yigitbasi , Shin-Shan Yu , Jon Zarling , Chao Zhang , Licheng Zhang , Larry Zhao , Junjie Zhu , Jure Zupan

Artificial intelligence (AI) in the form of deep learning bears promise for drug discovery and chemical biology, $\textit{e.g.}$, to predict protein structure and molecular bioactivity, plan organic synthesis, and design molecules…

Biomolecules · Quantitative Biology 2022-12-29 Rıza Özçelik , Derek van Tilborg , José Jiménez-Luna , Francesca Grisoni

Deep neural networks ("deep learning") have emerged as a technology of choice to tackle problems in natural language processing, computer vision, speech recognition and gameplay, and in just a few years has led to superhuman level…

Computational Physics · Physics 2020-05-05 Rama K. Vasudevan , Maxim Ziatdinov , Lukas Vlcek , Sergei V. Kalinin

In good old-fashioned artificial intelligence (GOFAI), humans specified systems that solved problems. Much of the recent progress in AI has come from replacing human insights by learning. However, learning itself is still usually built by…

Neurons and Cognition · Quantitative Biology 2019-01-10 Benjamin James Lansdell , Konrad Paul Kording

Scientists have long aimed to discover meaningful formulae which accurately describe experimental data. A common approach is to manually create mathematical models of natural phenomena using domain knowledge, and then fit these models to…

The currently dominating artificial intelligence and machine learning technology, neural networks, builds on inductive statistical learning. Neural networks of today are information processing systems void of understanding and reasoning…

Artificial Intelligence · Computer Science 2022-08-26 Lars Holmberg

While previous AI Scientist systems can generate novel findings, they often lack the focus to produce scientifically valuable contributions that address pressing human-defined challenges. We introduce DeepScientist, a system designed to…

Computation and Language · Computer Science 2025-10-01 Yixuan Weng , Minjun Zhu , Qiujie Xie , Qiyao Sun , Zhen Lin , Sifan Liu , Yue Zhang

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…

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
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