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BLADE: Benchmarking Language Model Agents for Data-Driven Science

Ken Gu, Ruoxi Shang, Ruien Jiang, Keying Kuang, Richard-John Lin, Donghe Lyu, Yue Mao, Youran Pan, Teng Wu, Jiaqian Yu, Yikun Zhang, Tianmai M. Zhang, Lanyi Zhu, Mike A. Merrill, Jeffrey Heer, Tim Althoff

arXiv:2408.09667v3cs.CL

TL;DR

BLADE addresses the challenge of evaluating open-ended scientific analyses with multiple valid decisions and representations. It combines expert-grounded research questions and datasets with automatic matching of agent analyses to fine-grained ground truth. Language models generally produce basic, low-diversity analyses, while agents interacting with data improve coverage but remain non-optimal.

  • Problem

    Existing evaluation methods insufficiently assess the multiple intermediary decisions, data semantics, and external scientific knowledge involved in open-ended data-driven analyses.

    Source: §1 · p. 1
  • Method

    BLADE uses 12 research questions and datasets, expert-generated ground truth, and computational matching methods to automatically evaluate agents’ analysis decisions.

    Source: §1 · p. 2, §3 · p. 4, §9 · p. 9
  • Results

    Most language models produce basic analyses with limited diversity; coverage is below 13% for statistical models with conceptual variables and below 27% for operationalizing variables, while ReAct improves coverage.

    Source: §1 · p. 3, §9 · p. 9
  • Takeaways & Limitations

    BLADE enables researchers to evaluate agents’ analytical approaches and study their strengths and limitations in data-driven scientific discovery.

    Source: §1 · p. 3

    BLADE does not evaluate result interpretation or exploratory analysis and assumes datasets are contained in a single potentially large table.

    Source: §10 · p. 10

Abstract

from arXiv · show

Data-driven scientific discovery requires the iterative integration of scientific domain knowledge, statistical expertise, and an understanding of data semantics to make nuanced analytical decisions, e.g., about which variables, transformations, and statistical models to consider. LM-based agents equipped with planning, memory, and code execution capabilities have the potential to support data-driven science. However, evaluating agents on such open-ended tasks is challenging due to multiple valid approaches, partially correct steps, and different ways to express the same decisions. To address these challenges, we present BLADE, a benchmark to automatically evaluate agents' multifaceted approaches to open-ended research questions. BLADE consists of 12 datasets and research questions drawn from existing scientific literature, with ground truth collected from independent analyses by expert data scientists and researchers. To automatically evaluate agent responses, we developed corresponding computational methods to match different representations of analyses to this ground truth. Though language models possess considerable world knowledge, our evaluation shows that they are often limited to basic analyses. However, agents capable of interacting with the underlying data demonstrate improved, but still non-optimal, diversity in their analytical decision making. Our work enables the evaluation of agents for data-driven science and provides researchers deeper insights into agents' analysis approaches.

1 Introduction

BLADE addresses the difficulty of evaluating open-ended scientific analyses, where valid decisions vary and existing benchmarks overlook intermediary reasoning. It builds an expert-grounded benchmark and automatic matching framework, finding that language models produce basic, low-diversity analyses while data-interacting agents improve coverage.

  • Existing benchmarks emphasize single-answer execution or machine-learning metrics, while scientific analysis requires assessing many intermediary decisions involving data semantics, domain knowledge, and statistics.Source: §1 · p. 1
  • BLADE evaluates agents on research questions and datasets by comparing conceptual variables, transformations, and statistical models against expert-grounded analyses.Source: §1 · p. 2, Figure 1 · p. 2
  • Its automatic evaluation framework uses representations and matching methods designed to accommodate different ways of expressing analysis decisions.Source: §1 · pp. 2–3
  • BLADE contains 188 multiple-choice and 536 ground-truth analysis decisions across 12 real-world datasets and research questions.Source: §1 · p. 2
  • LM coverage of ground truth stayed below 13% for statistical models with conceptual variables and below 27% for operationalizing variables, while a ReAct agent consistently improved coverage.Source: §1 · p. 3
  • The benchmark provides a first step toward evaluating agents’ capabilities in data-driven scientific discovery and is released with its evaluation framework.Source: §1 · p. 3

2 Benchmark Requirements

BLADE is designed to evaluate whether agents can make and distinguish justifiable decisions throughout open-ended scientific analyses. Its requirements cover semantic understanding, domain integration, multistep reasoning, decision justification, and flexible automatic evaluation.

  • BLADE targets open-ended scientific questions rather than only precise, single-answer code-execution tasks, addressing limited evaluation of agent decision-making.Source: §2 · p. 3
  • The benchmark requires agents to understand data semantics, integrate domain knowledge, plan across abstraction levels, and distinguish theoretically or statistically justifiable decisions.Source: §2 · p. 3
  • Its evaluation should be automatic, decision-based around intermediary choices, and flexible to multiple equivalent decision representations.Source: §2 · p. 3
  • Together, these requirements assess whether agents can plan, develop, and execute a justifiable analysis for a real-world research question.Source: §2 · p. 3

3 Benchmark Data Collection

BLADE builds its benchmark from scientifically grounded research questions, datasets, and expert analyses. Independent expert decisions, peer validation, LM-generated candidates, and consensus produce a ground truth containing multiple validated approaches.

  • Research questions and datasets come from scientific publications, meta-analysis papers, and statistics textbooks selected for complex, non-trivial analyses.Source: §3 · pp. 3–4
  • Eleven trained analysis experts independently analyzed each dataset, recording decisions and thereby producing multiple analytical approaches.Source: §3 · p. 4
  • Experts validated peer and LM-generated decisions as justified or unjustified before combining unique validated decisions into the ground truth.Source: §3 · p. 4
  • Expert agreement was 75% for transformations and 80% for conceptual variables, compared with 27% and 13% for LM-generated decisions, respectively.Source: §3 · p. 4
  • The expert team resolved ambiguities through discussion and consensus, so the ground truth reflects alternative approaches validated by multiple experts.Source: §3 · p. 4

4 Benchmark Tasks

BLADE tests both recognition and construction of justifiable analytical decisions. Its tasks span conceptual-variable planning, data transformations, statistical modeling, multiple-choice discernment, and complete end-to-end analysis generation.

4 Benchmark Tasks

  • BLADE tasks target decisions needed for data-driven science, including conceptual variables, transformations, and statistical models requiring domain, statistical, and data knowledge.Source: §4 · p. 4

4.1 Task 1: Discern Justifiable Decisions

  • Task 1 uses multiple-choice questions to test which conceptual variables and transformations are most or least justifiable for a research question and dataset.Source: §4.1 · p. 4
  • Task 1 labels answers using expert reviews, with decisions considered justifiable only under unanimous expert agreement and unjustifiable under majority disagreement.Source: §4.1 · p. 4
  • Task 1 contains 188 multiple-choice questions with correct and incorrect decision examples.Source: §4.1 · pp. 4–5

4.2 Task 2: Generate an End-to-end Analysis

  • Task 2 requires an end-to-end analysis containing conceptual-variable descriptions and types, an executable transformation function, and a statistical model function.Source: §4.2 · p. 5

5 Flexible Automatic Evaluation

BLADE uses structured representations and semantic matching to evaluate heterogeneous analysis decisions while preserving equivalent transformations and partial credit.

Matching Conceptual Variables and Statistical Models

  • BLADE converts conceptual variables and statistical-model specifications into natural-language representations matched by semantic equivalence.Source: §5 · pp. 5–6

Matching Data Transformations

  • Data transformations are represented as column-level data-flow graphs so equivalent execution orders and partial results can receive credit.Source: §5 · pp. 5–6
  • GPT-4o decomposes submitted transformation functions into transform units and matches outputs using column values and approximate graph isomorphism.Source: §5 · p. 6

Evaluation of LM Evaluation Modules

  • The evaluation modules achieved correctness rates of 92%–97% across conceptual-variable, transformation, modeling-code, and statistical-model matching.Source: §5 · p. 6

6 Experiments

The experiments compare closed- and open-source language models in multiple-choice and end-to-end analysis-generation settings, including ReAct agents interacting with notebooks.

Models

  • The benchmark evaluates nine models spanning general-purpose, open-source, and coding-specific language models.Source: §6 · p. 6

Experiment Settings

  • ReAct agents iteratively inspect notebook execution outputs and generate next-step actions, whereas one-turn models produce analyses from a single prompt.Source: §6 · pp. 6–7
  • Experiments use 40 one-turn runs and 20 agent runs per model setting, with temperature 0.8 to encourage diversity.Source: §6 · p. 7

Evaluation Metrics

  • Multiple-choice performance is measured by accuracy, while generation uses average precision and coverage@10 combined through an adapted F1-score.Source: §6 · p. 7

7 Results

BLADE results show that language models often produce executable but basic analyses, while interactive agents improve coverage without reaching comprehensive analytical diversity.

World Knowledge and Discrimination

  • LMs achieve reasonable conceptual-variable performance and strong multiple-choice performance for general models, whereas coding-specific models struggle with correct decisions.Source: §7 · p. 7, Figure 3 · p. 7

Executable Analyses

  • GPT-4o generates executable analyses in 96% of runs, compared with 73% for Mixtral-8x22B and 65% for DeepSeek-Coder.Source: §7 · p. 7, Figure 5 · p. 8

Statistical Models and Operationalization

  • Precision is below 35% for statistical models and below 60% for operationalized variables, with coverage@10 below 13% and 27%, respectively.Source: §7 · pp. 7–8

Main Findings

  • Coverage remains below 13% for statistical models and below 27% for operationalizing variables, while ReAct consistently improves coverage but remains non-optimal.Source: §7 · p. 8, Figure 4 · p. 8

Basic Analyses

  • Many submissions contain empty transforms and match basic decisions with decent precision but poor coverage across runs.Source: §7 · p. 8, Figure 5 · p. 8

Agent Diversity

  • Interactive agents increase coverage, performing best overall for transformations and statistical modeling that require detailed data-semantic understanding.Source: §7 · p. 8, Figure 4 · p. 8

BLADE versus HumanEval

  • Coverage correlates more weakly with HumanEval than precision, indicating that coding ability does not directly translate into diverse BLADE analyses.Source: §7 · pp. 8–9, Figure 6 · p. 9
  • Gemini 1.5 Pro exceeds its HumanEval-implied precision, Mixtral-8x22B excels in precision and coverage, and CodeLlama underperforms on BLADE.Source: §7 · p. 9

8 Related Work

Related benchmarks often emphasize code execution, machine learning, causal or quantitative reasoning, or hypothesis generation, whereas BLADE evaluates multiple valid decisions in open-ended scientific analyses.

Benchmarks for Data Science

  • Many data-science benchmarks assess code execution or machine-learning metrics without measuring complex reasoning, external knowledge, or intermediate decisions.Source: §8 · p. 9
  • Other benchmarks address causal or quantitative reasoning but often use closed-ended solutions, while DiscoveryBench evaluates hypotheses rather than analysis decisions.Source: §8 · p. 9
  • BLADE evaluates open-ended, data-driven research questions across multiple valid analysis approaches.Source: §8 · p. 9

Agents for Science

  • The work contributes to broader efforts applying language-model agents to automate scientific discovery and evaluate scientific analyses across domains.Source: §8 · p. 9

9 Conclusion

BLADE benchmarks LM agents for data-driven scientific tasks using expert-grounded analyses and decision-based matching. Current LMs sometimes match ground truth, but their analyses remain limited in complexity and diversity.

9 Conclusion

  • BLADE combines research questions, data tables, expert ground-truth analyses, and matching algorithms for automatic, decision-based, input-flexible evaluation.The benchmark is designed to advance LM agents for data-driven scientific tasks.Source: §9 · p. 9
  • Current LMs sometimes produce analyses matching the ground truth, but those analyses remain limited in complexity and lack diversity.Source: §9 · p. 9

10 Limitations

BLADE does not evaluate result interpretation or exploratory analysis, and it assumes datasets are contained in a single potentially large table. Some evaluation components also rely on language models that may hallucinate, despite validation efforts.

10 Limitations

  • BLADE excludes interpretation of data-analysis results, leaving this important end-to-end capability for future work.The authors note that interpretation can require subjective judgments about the problem and model results.Source: §10 · p. 10
  • BLADE does not explicitly evaluate the exploratory parts of an analysis.Source: §10 · p. 10
  • The benchmark assumes each dataset is contained in a single potentially extremely large table, which may not fit all research datasets.The authors argue this does not significantly reduce scope because language models commonly perform table joins.Source: §10 · p. 10
  • Some evaluation components rely on language models that are known to hallucinate, although the authors report validation efforts and open-source the modules.Source: §10 · p. 10

A.1 Data Collection Recruitment

This appendix describes the collection, annotation, and representation of expert analyses; the matching of agent outputs to ground truth; and the ReAct baseline, prompts, and evaluation metrics. It also reports bootstrap-estimated F1-scores with confidence intervals and uses qualitative case studies to examine limitations in LM-generated analyses.

A.1 Data Collection Recruitment

  • The final annotation included 11 analysts recruited through open calls, screened by expertise and analysis reports, with diverse statistical backgrounds and occupations.Analysts reported an average of 6 years of data-analysis experience, and at least five reported high familiarity with common analysis methods.Source: §A.1 · p. 14

A.2 Data Collection Procedure

  • The annotation procedure combined training, structured inputs, collaborative review, and LM-generated examples to improve consistency, reliability, and diversity, yielding 118 variable, 246 transformation, and 172 modeling decisions.Analysts received tutorials, toy examples, meetings, peer input, and approximately 40 LM-generated examples per annotator per dataset for correctness judgments.Source: §A.2 · p. 14

A.3 Analysis Decision Representations

  • BLADE represents each analysis as alternative transformation graphs plus conceptual variables and statistical models, enabling agent artifacts to be matched against all ground-truth alternatives.Transformation graphs encode transform and column-pointer nodes; conceptual variables link descriptions and types to columns, while models link descriptions and model columns to variables.Source: §A.3 · pp. 14–15

A.4 Decision Matching Procedure

  • The matching pipeline uses GPT-4 to convert submitted transformation and modeling code into standardized decision representations before comparing them with ground truth.The conversion includes decomposing transformations into units and translating modeling functions into model specifications with their used columns.Source: §A.4 · pp. 15–16

A.4.1 Matching Transforms

  • Because transformations are open-ended, BLADE evaluates both exact value matches and more flexible fuzzy graph-isomorphism matches across alternative transformation graphs.Value matching requires identical resulting column values, whereas fuzzy graph matching compares transform verbs, parameter columns, and dataflow structure despite numerical-parameter differences.Source: §A.4.1 · pp. 16–17

A.4.2 Matching Conceptual Variables

  • Conceptual variables match when their types agree and their descriptions are semantically equivalent, using GPT-4o to judge equivalence.The matcher receives JSON-formatted conceptual-variable specifications and returns matching point IDs with similarity values.Source: §A.4.2 · p. 17

A.4.3 Matching Statistical Models

  • Statistical models receive coarse semantic matching and a second match based on whether they contain the appropriate conceptual variables.The conceptual-model comparison reflects that justifiable model choices depend on including the right variables.Source: §A.4.3 · p. 17

A.5 Baseline ReAct Agent Details

  • The baseline ReAct agent iteratively alternates thought, notebook action, and observation stages before producing a final analysis, using up to 10 steps and models with at least an 8k context window.Experiments used Mixtral-8x22b, GPT-3.5 Turbo, GPT-4o, Gemini 1.5 Pro, and Claude 3.5 Sonnet.Source: §A.5 · pp. 17–18

A.7 Evaluation Metrics Details

  • Bootstrap estimates average F1-scores over 1,000 resampled iterations and report 95% confidence intervals to account for run-selection variability.Each iteration recomputes average precision, coverage@10, and F1-score for each dataset.Source: §A.7 · p. 19

A.8 Case Studies with Qualitative Insights

  • Qualitative case studies found that GPT-4 missed interpretable composite variables, while GPT-3.5 often used irrational interaction terms without corresponding main effects.GPT-4 failed to create variables such as evaluation response rate, whereas GPT-3.5 produced terms such as eval ~ beauty * gender.Source: §A.8 · p. 19

GPT-4o

  • GPT-4 generally produced more comprehensive models but sometimes included redundant variables, whereas GPT-3.5 often produced minimal models with one independent variable and no controls.The case-study figures provide examples of these contrasting variable-selection patterns in LM-generated analyses.Source: §A.8 · p. 19, Figure 20 · p. 34, Figure 21 · p. 35
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