Position: Is machine learning good or bad for the natural sciences?

David W Hogg, Soledad Villar
Proceedings of the 41st International Conference on Machine Learning, PMLR 235:18439-18453, 2024.

Abstract

Machine learning (ML) methods are having a huge impact across all of the sciences. However, ML has a strong ontology — in which only the data exist — and a strong epistemology — in which a model is considered good if it performs well on held-out training data. These philosophies are in strong conflict with both standard practices and key philosophies in the natural sciences. Here we identify some locations for ML in the natural sciences at which the ontology and epistemology are valuable. For example, when an expressive machine learning model is used in a causal inference to represent the effects of confounders, such as foregrounds, backgrounds, or instrument calibration parameters, the model capacity and loose philosophy of ML can make the results more trustworthy. We also show that there are contexts in which the introduction of ML introduces strong, unwanted statistical biases. For one, when ML models are used to emulate physical (or first-principles) simulations, they amplify confirmation biases. For another, when expressive regressions are used to label datasets, those labels cannot be used in downstream joint or ensemble analyses without taking on uncontrolled biases. The question in the title is being asked of all of the natural sciences; that is, we are calling on the scientific communities to take a step back and consider the role and value of ML in their fields; the (partial) answers we give here come from the particular perspective of physics.

Cite this Paper


BibTeX
@InProceedings{pmlr-v235-hogg24a, title = {Position: Is machine learning good or bad for the natural sciences?}, author = {Hogg, David W and Villar, Soledad}, booktitle = {Proceedings of the 41st International Conference on Machine Learning}, pages = {18439--18453}, year = {2024}, editor = {Salakhutdinov, Ruslan and Kolter, Zico and Heller, Katherine and Weller, Adrian and Oliver, Nuria and Scarlett, Jonathan and Berkenkamp, Felix}, volume = {235}, series = {Proceedings of Machine Learning Research}, month = {21--27 Jul}, publisher = {PMLR}, pdf = {https://raw.githubusercontent.com/mlresearch/v235/main/assets/hogg24a/hogg24a.pdf}, url = {https://proceedings.mlr.press/v235/hogg24a.html}, abstract = {Machine learning (ML) methods are having a huge impact across all of the sciences. However, ML has a strong ontology — in which only the data exist — and a strong epistemology — in which a model is considered good if it performs well on held-out training data. These philosophies are in strong conflict with both standard practices and key philosophies in the natural sciences. Here we identify some locations for ML in the natural sciences at which the ontology and epistemology are valuable. For example, when an expressive machine learning model is used in a causal inference to represent the effects of confounders, such as foregrounds, backgrounds, or instrument calibration parameters, the model capacity and loose philosophy of ML can make the results more trustworthy. We also show that there are contexts in which the introduction of ML introduces strong, unwanted statistical biases. For one, when ML models are used to emulate physical (or first-principles) simulations, they amplify confirmation biases. For another, when expressive regressions are used to label datasets, those labels cannot be used in downstream joint or ensemble analyses without taking on uncontrolled biases. The question in the title is being asked of all of the natural sciences; that is, we are calling on the scientific communities to take a step back and consider the role and value of ML in their fields; the (partial) answers we give here come from the particular perspective of physics.} }
Endnote
%0 Conference Paper %T Position: Is machine learning good or bad for the natural sciences? %A David W Hogg %A Soledad Villar %B Proceedings of the 41st International Conference on Machine Learning %C Proceedings of Machine Learning Research %D 2024 %E Ruslan Salakhutdinov %E Zico Kolter %E Katherine Heller %E Adrian Weller %E Nuria Oliver %E Jonathan Scarlett %E Felix Berkenkamp %F pmlr-v235-hogg24a %I PMLR %P 18439--18453 %U https://proceedings.mlr.press/v235/hogg24a.html %V 235 %X Machine learning (ML) methods are having a huge impact across all of the sciences. However, ML has a strong ontology — in which only the data exist — and a strong epistemology — in which a model is considered good if it performs well on held-out training data. These philosophies are in strong conflict with both standard practices and key philosophies in the natural sciences. Here we identify some locations for ML in the natural sciences at which the ontology and epistemology are valuable. For example, when an expressive machine learning model is used in a causal inference to represent the effects of confounders, such as foregrounds, backgrounds, or instrument calibration parameters, the model capacity and loose philosophy of ML can make the results more trustworthy. We also show that there are contexts in which the introduction of ML introduces strong, unwanted statistical biases. For one, when ML models are used to emulate physical (or first-principles) simulations, they amplify confirmation biases. For another, when expressive regressions are used to label datasets, those labels cannot be used in downstream joint or ensemble analyses without taking on uncontrolled biases. The question in the title is being asked of all of the natural sciences; that is, we are calling on the scientific communities to take a step back and consider the role and value of ML in their fields; the (partial) answers we give here come from the particular perspective of physics.
APA
Hogg, D.W. & Villar, S.. (2024). Position: Is machine learning good or bad for the natural sciences?. Proceedings of the 41st International Conference on Machine Learning, in Proceedings of Machine Learning Research 235:18439-18453 Available from https://proceedings.mlr.press/v235/hogg24a.html.

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