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Summary of Diverse Explanations From Data-driven and Domain-driven Perspectives in the Physical Sciences, by Sichao Li and Xin Wang and Amanda Barnard


Diverse Explanations From Data-Driven and Domain-Driven Perspectives in the Physical Sciences

by Sichao Li, Xin Wang, Amanda Barnard

First submitted to arxiv on: 1 Feb 2024

Categories

  • Main: Machine Learning (cs.LG)
  • Secondary: None

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GrooveSquid.com Paper Summaries

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Summary difficulty Written by Summary
High Paper authors High Difficulty Summary
Read the original abstract here
Medium GrooveSquid.com (original content) Medium Difficulty Summary
Machine learning methods have been remarkably successful in material science, providing novel scientific insights, guiding future laboratory experiments, and accelerating materials discovery. Despite the promising performance of these models, understanding the decisions they make is also essential to ensure the scientific value of their outcomes. This paper explores the sources and implications of diverse explanations in ML applications for physical sciences. It examines how different models, explanation methods, levels of feature attribution, and stakeholder needs can result in varying interpretations of ML outputs through three case studies in materials science and molecular property prediction.
Low GrooveSquid.com (original content) Low Difficulty Summary
This paper is about using machine learning to help scientists discover new materials. Machine learning helps by providing insights and guiding future experiments. But it’s also important for scientists to understand how the machine learning models make their decisions. The authors look at three examples where different machine learning models can give different answers. They show that this can happen because of different model types, explanation methods, or levels of detail. The authors want people to know about these differences and how they affect scientific discoveries.

Keywords

* Artificial intelligence  * Machine learning