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Main Authors: Gandhi, Kanishk, Li, Michael Y., Goodyear, Lyle, Bhatia, Agam, Li, Louise, Bhaskar, Aditi, Zaman, Mohammed, Goodman, Noah D.
Format: Preprint
Published: 2025
Subjects:
Online Access:https://arxiv.org/abs/2501.01540
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author Gandhi, Kanishk
Li, Michael Y.
Goodyear, Lyle
Bhatia, Agam
Li, Louise
Bhaskar, Aditi
Zaman, Mohammed
Goodman, Noah D.
author_facet Gandhi, Kanishk
Li, Michael Y.
Goodyear, Lyle
Bhatia, Agam
Li, Louise
Bhaskar, Aditi
Zaman, Mohammed
Goodman, Noah D.
contents Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to scientific discovery. Despite the significant promise of LLM-based scientific agents, no benchmarks systematically test LLM's ability to propose scientific models, collect experimental data, and revise them in light of new data. We introduce BoxingGym, a benchmark with 10 environments for systematically evaluating both experimental design (e.g. collecting data to test a scientific theory) and model discovery (e.g. proposing and revising scientific theories). To enable tractable and quantitative evaluation, we implement each environment as a generative probabilistic model with which a scientific agent can run interactive experiments. These probabilistic models are drawn from various real-world scientific domains ranging from psychology to ecology. To quantitatively evaluate a scientific agent's ability to collect informative experimental data, we compute the expected information gain (EIG), an information-theoretic quantity which measures how much an experiment reduces uncertainty about the parameters of a generative model. A good scientific theory is a concise and predictive explanation. Therefore, to quantitatively evaluate model discovery, we ask a scientific agent to explain their model and then assess whether this explanation enables another scientific agent to make reliable predictions about this environment. In addition to this explanation-based evaluation, we compute standard model evaluation metrics such as prediction errors. We find that current LLMs, such as GPT-4o, struggle with both experimental design and model discovery. We find that augmenting the LLM-based agent with an explicit statistical model does not reliably improve these results.
format Preprint
id arxiv_https___arxiv_org_abs_2501_01540
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle BoxingGym: Benchmarking Progress in Automated Experimental Design and Model Discovery
Gandhi, Kanishk
Li, Michael Y.
Goodyear, Lyle
Bhatia, Agam
Li, Louise
Bhaskar, Aditi
Zaman, Mohammed
Goodman, Noah D.
Machine Learning
Artificial Intelligence
Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to scientific discovery. Despite the significant promise of LLM-based scientific agents, no benchmarks systematically test LLM's ability to propose scientific models, collect experimental data, and revise them in light of new data. We introduce BoxingGym, a benchmark with 10 environments for systematically evaluating both experimental design (e.g. collecting data to test a scientific theory) and model discovery (e.g. proposing and revising scientific theories). To enable tractable and quantitative evaluation, we implement each environment as a generative probabilistic model with which a scientific agent can run interactive experiments. These probabilistic models are drawn from various real-world scientific domains ranging from psychology to ecology. To quantitatively evaluate a scientific agent's ability to collect informative experimental data, we compute the expected information gain (EIG), an information-theoretic quantity which measures how much an experiment reduces uncertainty about the parameters of a generative model. A good scientific theory is a concise and predictive explanation. Therefore, to quantitatively evaluate model discovery, we ask a scientific agent to explain their model and then assess whether this explanation enables another scientific agent to make reliable predictions about this environment. In addition to this explanation-based evaluation, we compute standard model evaluation metrics such as prediction errors. We find that current LLMs, such as GPT-4o, struggle with both experimental design and model discovery. We find that augmenting the LLM-based agent with an explicit statistical model does not reliably improve these results.
title BoxingGym: Benchmarking Progress in Automated Experimental Design and Model Discovery
topic Machine Learning
Artificial Intelligence
url https://arxiv.org/abs/2501.01540