Explainable Machine Learning for Scientific Insights and Discoveries
Not on the map. Why?
Abstract (arXiv)
Machine learning methods have been remarkably successful for a wide range of application areas in the extraction of essential information from data. An exciting and relatively recent development is the uptake of machine learning in the natural sciences, where the major goal is to obtain novel scientific insights and discoveries from observational or simulated data. A prerequisite for obtaining a scientific outcome is domain knowledge, which is needed to gain explainability, but also to enhance scientific consistency. In this article we review explainable machine learning in view of applications in the natural sciences and discuss three core elements which we identified as relevant in this context: transparency, interpretability, and explainability. With respect to these core elements, we provide a survey of recent scientific works that incorporate machine learning and the way that explainable machine learning is used in combination with domain knowledge from the application areas.
Key facts. Cited by 165 papers in the map (data through 7 Oct 2026). First posted on arXiv 21 May 2019.
Builds on
No reference list yet.
Built on by
Citing papers per year: 2019: 1; 2020: 0; 2021: 32; 2022: 41; 2023: 27; 2024: 31; 2025: 23; 2026: 10.
165 papers.
Sort:
By area:
- 2022From Anecdotal Evidence to Quantitative Evaluation Methods: A Systematic Review on Evaluating Explainable AIcited by 299
- 2022On scientific understanding with artificial intelligencecited by 68
- 2021Beyond Expertise and Roles: A Framework to Characterize the Stakeholders of Interpretable Machine Learning and their Needscited by 64
- 2022Concept Activation Regions: A Generalized Framework For Concept-Based Explanationscited by 57
- 2024Explainable Artificial Intelligence: A Survey of Needs, Techniques, Applications, and Future Directioncited by 46
- 2022The Road to Explainability is Paved with Bias: Measuring the Fairness of Explanationscited by 41
- 2022Going Beyond XAI: A Systematic Survey for Explanation-Guided Learningcited by 35
- 2021Toward Explainable AI for Regression Modelscited by 30
- 2023Artificial intelligence to advance Earth observation: : A review of models, recent trends, and pathways forwardcited by 28
- 2021Towards a Collective Agenda on AI for Earth Science Data Analysiscited by 27
- 2022Interpretable Geometric Deep Learning via Learnable Randomness Injectioncited by 27
- 2021On Locality of Local Explanation Modelscited by 25
38 more
- 2022Disentangled Explanations of Neural Network Predictions by Finding Relevant Subspacescited by 25
- 2023An Empirical Evaluation of the Rashomon Effect in Explainable Machine Learningcited by 25
- 2021Nonperturbative renormalization for the neural network-QFT correspondencecited by 24
- 2024On Behalf of the Stakeholders: Trends in NLP Model Interpretability in the Era of LLMscited by 24
- 2022Scientific Inference With Interpretable Machine Learning: Analyzing Models to Learn About Real-World Phenomenacited by 21
- 2022SoK: Explainable Machine Learning for Computer Security Applicationscited by 20
- 2021DySMHO: Data-Driven Discovery of Governing Equations for Dynamical Systems via Moving Horizon Optimizationcited by 19
- 2021Explainable Machine Learning with Prior Knowledge: An Overviewcited by 14
- 2023Are Data-driven Explanations Robust against Out-of-distribution Data?cited by 14
- 2024DEAL: Disentangle and Localize Concept-level Explanations for VLMscited by 14
- 2021Explainability Is in the Mind of the Beholder: Establishing the Foundations of Explainable Artificial Intelligencecited by 13
- 2023REFORMS: Reporting Standards for Machine Learning Based Sciencecited by 13
- 2023On the Interpretability of Quantum Neural Networkscited by 13
- 2024In-context learning agents are asymmetric belief updaterscited by 13
- 2019Mo"ET: Mixture of Expert Trees and its Application to Verifiable Reinforcement Learningcited by 12
- 2021Explainable Artificial Intelligence for Human Decision-Support System in Medical Domaincited by 12
- 2022A review of machine learning concepts and methods for addressing challenges in probabilistic hydrological post-processing and forecastingcited by 12
- 2022Explainability in reinforcement learning: perspective and positioncited by 11
- 2024Explainable AI (XAI) in Image Segmentation in Medicine, Industry, and Beyond: A Surveycited by 11
- 2025Interpretable Machine Learning in Physics: A Reviewcited by 11
- 2025Evolutionary Optimization of Physics-Informed Neural Networks: Evo-PINN Frontiers and Opportunitiescited by 10
- 2021Interpretable Model-based Hierarchical Reinforcement Learning using Inductive Logic Programmingcited by 8
- 2024Comprehensible Artificial Intelligence on Knowledge Graphs: A surveycited by 8
- 2021Physics-informed generative neural network: an application to troposphere temperature predictioncited by 7
- 2022MEGAN: Multi-Explanation Graph Attention Networkcited by 7
- 2022Renormalization in the neural network-quantum field theory correspondencecited by 7
- 2023Interpretable Machine Learning for Discovery: Statistical Challenges & Opportunitiescited by 7
- 2022When Machine Learning Meets Spectrum Sharing Security: Methodologies and Challengescited by 6
- 2022Causal Discovery and Knowledge Injection for Contestable Neural Networks (with Appendices)cited by 6
- 2022Understanding electricity prices beyond the merit order principle using explainable AIcited by 6
- 2024What Does Evaluation of Explainable Artificial Intelligence Actually Tell Us? A Case for Compositional and Contextual Validation of XAI Building Blockscited by 6
- 2024Beyond Accuracy: Ensuring Correct Predictions With Correct Rationalescited by 6
- 2025When is a System Discoverable from Data? Discovery Requires Chaoscited by 6
- 2022Generalized Permutants and Graph GENEOscited by 5
- 2023Non-Uniform Interpolation in Integrated Gradients for Low-Latency Explainable-AIcited by 5
- 2023Exploring Effective Priors and Efficient Models for Weakly-Supervised Change Detectioncited by 5
- 2023Data-Centric Digital Agriculture: A Perspectivecited by 5
- 2024Explainable Artificial Intelligence (XAI) for Malware Analysis: A Survey of Techniques, Applications, and Open Challengescited by 5
50 most cited of 165 All 165 (JSON)
- 2026Structured Extrema Errors in Classical Surrogates for Viscous Burgers: A Physics-Consistent Interpretation7 Sep 2026
- 2026The Mirror Agent Model: a Bayesian Architecture for Interpretable Agent Behavior4 Sep 2026
- 2026Explainable Machine Learning in Healthcare: Methods, Interpretation, and Applications for Clinical Research13 Jul 2026
- 2026Toward Trustworthy Autonomous Science: A Two-Year Community Roadmap13 Jul 2026
- 2026The Perception-Physics Paradox: Probing Scientific Alignment with TC-Bench23 May 2026
- 2026Transferable FB-GNN-MBE Framework for Potential Energy Surfaces: Data-Adaptive Transfer Learning in Deep Learned Many-Body Expansion Theory10 Apr 2026
- 2026Generative models on phase space2 Apr 2026
- 2026Discovery of Interpretable Physical Laws in Materials via Language-Model-Guided Symbolic Regression26 Feb 2026
- 2026Behavior Learning (BL): Learning Hierarchical Optimization Structures from Data23 Feb 2026
- 2026Quantifying Explanation Quality in Graph Neural Networks using Out-of-Distribution Generalization7 Feb 2026
- 2025Global Sensitivity Analysis for Engineering Design Based on Individual Conditional Expectations12 Dec 2025
- 2025What Triggers my Model? Contrastive Explanations Inform Gender Choices by Translation Models9 Dec 2025
38 more
- 2025When is a System Discoverable from Data? Discovery Requires Chaos12 Nov 2025
- 2025Comparison of generalised additive models and neural networks in applications: A systematic review28 Oct 2025
- 2025Testing Most Influential Sets23 Oct 2025
- 2025Informed Learning for Estimating Drought Stress at Fine-Scale Resolution Enables Accurate Yield Prediction21 Oct 2025
- 2025Automatic Piecewise Linear Regression for Predicting Student Learning Satisfaction12 Oct 2025
- 2025From Embeddings to Equations: Genetic-Programming Surrogates for Interpretable Transformer Classification16 Sep 2025
- 2025Combining Self-attention and Dilation Convolutional for Semantic Segmentation of Coal Maceral Groups15 Jun 2025
- 2025Spatiotemporal deep learning models for detection of rapid intensification in cyclones10 Jun 2025
- 2025LLM-BT-Terms: Back-Translation as a Framework for Terminology Standardization and Dynamic Semantic Embedding9 Jun 2025
- 2025Unsupervised Machine Learning for Scientific Discovery: Workflow and Best Practices5 Jun 2025
- 2025Multi-Exit Kolmogorov-Arnold Networks: enhancing accuracy and parsimony3 Jun 2025
- 2025Enhancing Monocular Height Estimation via Sparse LiDAR-Guided Correction11 May 2025
- 2025Wasserstein Distances Made Explainable: Insights Into Dataset Shifts and Transport Phenomena9 May 2025
- 2025Reliable and efficient inverse analysis using physics-informed neural networks with normalized distance functions and adaptive weight tuning25 Apr 2025
- 2025Role and Use of Race in AI/ML Models Related to Health1 Apr 2025
- 2025Interpretable Machine Learning in Physics: A Review30 Mar 2025
- 2025POINT2: A Polymer Informatics Training and Testing Database30 Mar 2025
- 2025SMT-EX: An Explainable Surrogate Modeling Toolbox for Mixed-Variables Design Exploration25 Mar 2025
- 2025Interpretable Feature Interaction via Statistical Self-supervised Learning on Tabular Data23 Mar 2025
- 2025Efficient and Interpretable Neural Networks Using Complex Lehmer Transform25 Jan 2025
- 2025Evolutionary Optimization of Physics-Informed Neural Networks: Evo-PINN Frontiers and Opportunities11 Jan 2025
- 2024Knowledge-Augmented Explainable and Interpretable Learning for Anomaly Detection and Diagnosis28 Nov 2024
- 2024What makes a good BIM design: quantitative linking between design behavior and quality14 Nov 2024
- 2024EXAGREE: Mitigating Explanation Disagreement with Stakeholder-Aligned Models4 Nov 2024
- 2024Explainable few-shot learning workflow for detecting invasive and exotic tree species1 Nov 2024
- 2024Beyond Accuracy: Ensuring Correct Predictions With Correct Rationales31 Oct 2024
- 2024Semantic-Guided RL for Interpretable Feature Engineering3 Oct 2024
- 2024Explainable Earth Surface Forecasting under Extreme Events2 Oct 2024
- 2024Explainable Artificial Intelligence (XAI) for Malware Analysis: A Survey of Techniques, Applications, and Open Challenges9 Sep 2024
- 2024Explainable Artificial Intelligence: A Survey of Needs, Techniques, Applications, and Future Direction30 Aug 2024
- 2024On Behalf of the Stakeholders: Trends in NLP Model Interpretability in the Era of LLMs27 Jul 2024
- 2024Practical Attribution Guidance for Rashomon Sets26 Jul 2024
- 2024DEAL: Disentangle and Localize Concept-level Explanations for VLMs19 Jul 2024
- 2024Generating In-store Customer Journeys from Scratch with GPT Architectures13 Jul 2024
- 2024Computer vision tasks for intelligent aerospace missions: An overview9 Jul 2024
- 2024A Moonshot for AI Oracles in the Sciences25 Jun 2024
- 2024CHAOSMINING: Benchmarking Post-Hoc Attribution with Sparse Informative Features in High Dimensions17 Jun 2024
- 2024SynthTree: Co-supervised Local Model Synthesis for Explainable Prediction16 Jun 2024
50 newest of 165 All 165 (JSON)
- 2024In-context learning agents are asymmetric belief updaterscited by 13
- 2026Generative models on phase spacecited by 0
- 2026Generative models on phase space2 Apr 2026
- 2022From Anecdotal Evidence to Quantitative Evaluation Methods: A Systematic Review on Evaluating Explainable AIcited by 299
- 2022On scientific understanding with artificial intelligencecited by 68
- 2021Beyond Expertise and Roles: A Framework to Characterize the Stakeholders of Interpretable Machine Learning and their Needscited by 64
- 2022Concept Activation Regions: A Generalized Framework For Concept-Based Explanationscited by 57
- 2024Explainable Artificial Intelligence: A Survey of Needs, Techniques, Applications, and Future Directioncited by 46
- 2022The Road to Explainability is Paved with Bias: Measuring the Fairness of Explanationscited by 41
- 2022Going Beyond XAI: A Systematic Survey for Explanation-Guided Learningcited by 35
- 2021Toward Explainable AI for Regression Modelscited by 30
- 2023Artificial intelligence to advance Earth observation: : A review of models, recent trends, and pathways forwardcited by 28
- 2021Towards a Collective Agenda on AI for Earth Science Data Analysiscited by 27
- 2022Interpretable Geometric Deep Learning via Learnable Randomness Injectioncited by 27
- 2021On Locality of Local Explanation Modelscited by 25
12 most cited of 161 All 161 (JSON)
- 2026Structured Extrema Errors in Classical Surrogates for Viscous Burgers: A Physics-Consistent Interpretation7 Sep 2026
- 2026The Mirror Agent Model: a Bayesian Architecture for Interpretable Agent Behavior4 Sep 2026
- 2026Explainable Machine Learning in Healthcare: Methods, Interpretation, and Applications for Clinical Research13 Jul 2026
- 2026Toward Trustworthy Autonomous Science: A Two-Year Community Roadmap13 Jul 2026
- 2026The Perception-Physics Paradox: Probing Scientific Alignment with TC-Bench23 May 2026
- 2026Transferable FB-GNN-MBE Framework for Potential Energy Surfaces: Data-Adaptive Transfer Learning in Deep Learned Many-Body Expansion Theory10 Apr 2026
- 2026Discovery of Interpretable Physical Laws in Materials via Language-Model-Guided Symbolic Regression26 Feb 2026
- 2026Behavior Learning (BL): Learning Hierarchical Optimization Structures from Data23 Feb 2026
- 2026Quantifying Explanation Quality in Graph Neural Networks using Out-of-Distribution Generalization7 Feb 2026
- 2025Global Sensitivity Analysis for Engineering Design Based on Individual Conditional Expectations12 Dec 2025
- 2025What Triggers my Model? Contrastive Explanations Inform Gender Choices by Translation Models9 Dec 2025
- 2025When is a System Discoverable from Data? Discovery Requires Chaos12 Nov 2025
12 newest of 161 All 161 (JSON)