Can LLMs Help Accelerate the Discovery of Data-Driven Scientific Hypotheses? Meet DiscoveryBench: A Comprehensive LLM Benchmark that Formalizes the Multi-Step Process of Data-Driven Discovery

Can LLMs Help Accelerate the Discovery of Data-Driven Scientific Hypotheses? Meet DiscoveryBench: A Comprehensive LLM Benchmark that Formalizes the Multi-Step Process of Data-Driven Discovery

Practical Solutions for Automated Data-Driven Discovery with LLMs

Introduction

Scientific discovery has relied on manual processes, but large language models (LLMs) offer new possibilities for autonomous discovery systems. The challenge is to develop fully autonomous systems for generating and verifying hypotheses, potentially accelerating the pace of discovery and innovation.

Previous Attempts and Challenges

Previous attempts at automated data-driven discovery have shown promise, but existing approaches need to provide a comprehensive solution for automating the entire discovery process, including ideation, semantic reasoning, and pipeline design.

DISCOVERYBENCH Proposal

DISCOVERYBENCH aims to systematically evaluate the capabilities of LLMs in automated data-driven discovery by introducing a pragmatic formalization. It distinguishes itself by incorporating scientific semantic reasoning and addressing the challenges of diversity in real-world data-driven discovery across various domains.

Method and Components

DISCOVERYBENCH formalizes data-driven discovery by introducing a structured approach to hypothesis representation and evaluation. It consists of two main components: DB-REAL and DB-SYNTH, encompassing real-world hypotheses and synthetically generated benchmarks for controlled model evaluations.

Evaluation and Results

The study evaluates several discovery agents powered by different language models on the DISCOVERYBENCH dataset. Results show that overall performance is low across all agent-LLM pairs for both DB-REAL and DB-SYNTH, highlighting the benchmark’s challenging nature.

Significance and Future Prospects

DISCOVERYBENCH represents a significant advancement in evaluating automated data-driven discovery systems. Despite modest performance, it aims to stimulate increased interest and research efforts in developing more reliable and reproducible autonomous scientific discovery systems using large generative models.

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