From Kepler to Newton: Explainable AI for Science
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Abstract (arXiv)
The Observation--Hypothesis--Prediction--Experimentation loop paradigm for scientific research has been practiced by researchers for years towards scientific discoveries. However, with data explosion in both mega-scale and milli-scale scientific research, it has been sometimes very difficult to manually analyze the data and propose new hypotheses to drive the cycle for scientific discovery. In this paper, we discuss the role of Explainable AI in scientific discovery process by demonstrating an Explainable AI-based paradigm for science discovery. The key is to use Explainable AI to help derive data or model interpretations, hypotheses, as well as scientific discoveries or insights. We show how computational and data-intensive methodology -- together with experimental and theoretical methodology -- can be seamlessly integrated for scientific research. To demonstrate the AI-based science discovery process, and to pay our respect to some of the greatest minds in human history, we show how Kepler's laws of planetary motion and Newton's law of universal gravitation can be rediscovered by (Explainable) AI based on Tycho Brahe's astronomical observation data, whose works were leading the scientific revolution in the 16-17th century. This work also highlights the important role of Explainable AI (as compared to Blackbox AI) in science discovery to help humans prevent or better prepare for the possible technological singularity that may happen in the future, since science is not only about the know how, but also the know why. Presentation of the work is available at https://slideslive.com/38986142/from-kepler-to-newton-explainable-ai-for-science-discovery.
Key facts. Cited by 13 papers in the map (data through 14 Oct 2026). Builds on 14 of its 60 references that are in the map. First posted on arXiv 24 Nov 2021.
Builds on
14 of 60 references.
References · 14
- 2016"Why Should I Trust You?": Explaining the Predictions of Any Classifiercited by 5,070
- 2014Neural Machine Translation by Jointly Learning to Align and Translatecited by 4,548
- 2019Attention is not Explanationcited by 929
- 2019Attention is not not Explanationcited by 636
- 2019AI Feynman: a Physics-Inspired Method for Symbolic Regressioncited by 548
- 2019The many Shapley values for model explanationcited by 344
- 2020Discovering Symbolic Models from Deep Learning with Inductive Biasescited by 344
- 2018Explainable Recommendation: A Survey and New Perspectivescited by 210
- 2020AI Feynman 2.0: Pareto-optimal symbolic regression exploiting graph modularitycited by 144
- 2019Bayesian Symbolic Regressioncited by 78
- 2021Counterfactual Explainable Recommendationcited by 60
- 2020Logic Guided Genetic Algorithmscited by 6
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Citing papers per year: 2022: 1; 2023: 5; 2024: 2; 2025: 2; 2026: 3.
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- 2023Automated Scientific Discovery: From Equation Discovery to Autonomous Discovery Systemscited by 19
- 2024Towards Explainable Artificial Intelligence (XAI): A Data Mining Perspectivecited by 9
- 2024Creativity in AI: Progresses and Challengescited by 7
- 2025Advancing the Scientific Method with Large Language Models: From Hypothesis to Discoverycited by 7
- 2026Interpretability Can Be Actionablecited by 7
- 2023Sum-of-Parts: Self-Attributing Neural Networks with End-to-End Learning of Feature Groupscited by 6
- 2025AI-Newton: A Concept-Driven Physical Law Discovery System without Prior Physical Knowledgecited by 5
- 2022Learn Basic Skills and Reuse: Modularized Adaptive Neural Architecture Search (MANAS)cited by 4
- 2023ExplainableFold: Understanding AlphaFold Prediction with Explainable AIcited by 4
- 2023Counterfactual Collaborative Reasoningcited by 3
- 2023D'etection d'objets c'elestes dans des images astronomiques par IA explicablecited by 0
- 2026Self-explainable Operator Learning for Discovering Spatial Patterns in Functional Datacited by 0
1 more
- 2026Why We Care About Understanding: Competence through Predictive Compression4 Sep 2026
- 2026Self-explainable Operator Learning for Discovering Spatial Patterns in Functional Data2 Jul 2026
- 2026Interpretability Can Be Actionable11 May 2026
- 2025Advancing the Scientific Method with Large Language Models: From Hypothesis to Discovery22 May 2025
- 2025AI-Newton: A Concept-Driven Physical Law Discovery System without Prior Physical Knowledge2 Apr 2025
- 2024Creativity in AI: Progresses and Challenges22 Oct 2024
- 2024Towards Explainable Artificial Intelligence (XAI): A Data Mining Perspective9 Jan 2024
- 2023D'etection d'objets c'elestes dans des images astronomiques par IA explicable17 Nov 2023
- 2023Sum-of-Parts: Self-Attributing Neural Networks with End-to-End Learning of Feature Groups25 Oct 2023
- 2023Counterfactual Collaborative Reasoning30 Jun 2023
- 2023Automated Scientific Discovery: From Equation Discovery to Autonomous Discovery Systems3 May 2023
- 2023ExplainableFold: Understanding AlphaFold Prediction with Explainable AI27 Jan 2023
- 2023Counterfactual Collaborative Reasoningcited by 3
- 2023Counterfactual Collaborative Reasoning30 Jun 2023
- 2023Automated Scientific Discovery: From Equation Discovery to Autonomous Discovery Systemscited by 19
- 2024Towards Explainable Artificial Intelligence (XAI): A Data Mining Perspectivecited by 9
- 2024Creativity in AI: Progresses and Challengescited by 7
- 2025Advancing the Scientific Method with Large Language Models: From Hypothesis to Discoverycited by 7
- 2026Interpretability Can Be Actionablecited by 7
- 2023Sum-of-Parts: Self-Attributing Neural Networks with End-to-End Learning of Feature Groupscited by 6
- 2025AI-Newton: A Concept-Driven Physical Law Discovery System without Prior Physical Knowledgecited by 5
- 2022Learn Basic Skills and Reuse: Modularized Adaptive Neural Architecture Search (MANAS)cited by 4
- 2023ExplainableFold: Understanding AlphaFold Prediction with Explainable AIcited by 4
- 2023D'etection d'objets c'elestes dans des images astronomiques par IA explicablecited by 0
- 2026Self-explainable Operator Learning for Discovering Spatial Patterns in Functional Datacited by 0
- 2026Why We Care About Understanding: Competence through Predictive Compressioncited by 0
- 2026Why We Care About Understanding: Competence through Predictive Compression4 Sep 2026
- 2026Self-explainable Operator Learning for Discovering Spatial Patterns in Functional Data2 Jul 2026
- 2026Interpretability Can Be Actionable11 May 2026
- 2025Advancing the Scientific Method with Large Language Models: From Hypothesis to Discovery22 May 2025
- 2025AI-Newton: A Concept-Driven Physical Law Discovery System without Prior Physical Knowledge2 Apr 2025
- 2024Creativity in AI: Progresses and Challenges22 Oct 2024
- 2024Towards Explainable Artificial Intelligence (XAI): A Data Mining Perspective9 Jan 2024
- 2023D'etection d'objets c'elestes dans des images astronomiques par IA explicable17 Nov 2023
- 2023Sum-of-Parts: Self-Attributing Neural Networks with End-to-End Learning of Feature Groups25 Oct 2023
- 2023Automated Scientific Discovery: From Equation Discovery to Autonomous Discovery Systems3 May 2023
- 2023ExplainableFold: Understanding AlphaFold Prediction with Explainable AI27 Jan 2023
- 2022Learn Basic Skills and Reuse: Modularized Adaptive Neural Architecture Search (MANAS)23 Aug 2022