rewirebio.iobenchmarks
Evaluation

MLAgentBench on BioML-bench drug discovery (non-penalized)

Published comparison transcribed from the pinned source; not reproduced.

Evaluation results

1 evaluation · 3 results. Different protocols are not a single leaderboard.

Protocol: BioML-bench drug discovery domain: agent leaderboard percentile over 9 tasks · Dataset subset: BioML-bench v0.1-alpha drug discovery tasks (9 tasks)

Sorted by Leaderboard percentile (mean over tasks in the domain; non-penalized: runs without a valid submission omitted) (higher is better). The best value in each column is highlighted. Decimals are rounded for display; each value links to the printed value and its source.

Tested configurationLeaderboard percentile (mean over tasks in the domain; non-penalized: runs without a valid submission omitted)Proportion (share of tasks where the agent reaches a public leaderboard medal threshold, MLE-bench definition (Section 3.4); non-penalized: runs without a valid submission omitted)Proportion (share of tasks where the agent's mean score exceeds the median human leaderboard submission (Section 3.4 definition); non-penalized: runs without a valid submission omitted)
MLAgentBench, GPT-4.1 backend (BioML-bench)Evaluation22.45 ± 5.93%5.6 ± 3.7%16.7 ± 9.3%
All 3 result rows with coverage, uncertainty and sources
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Exact evaluated configurations and original reported results
Tested configurationProtocol and datasetFindingEvidence and details
Configuration: MLAgentBench, GPT-4.1 backend (BioML-bench)Protocol: BioML-bench drug discovery domain: agent leaderboard percentile over 9 tasks
Dataset subset: BioML-bench v0.1-alpha drug discovery tasks (9 tasks)
16.7 ± 9.3% Proportion (share of tasks where the agent's mean score exceeds the median human leaderboard submission (Section 3.4 definition); non-penalized: runs without a valid submission omitted)
percent · higher

Uncertainty: ± 9.3 (type not stated). Table 4 caption does not name the spread. Figures 2 and 4 show per-domain leaderboard percentiles as mean ± SEM across tasks; the Table 2 caption refers to the reported SEM.

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

MLAgentBench on BioML-bench drug discovery (non-penalized)

lit-agents-20261013-biomlbench-protocol-drug-discovery

Aggregation: Not reported

BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML · Table 4 (page 12), block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench', column 'Above Median (%)'
Configuration: MLAgentBench, GPT-4.1 backend (BioML-bench)Protocol: BioML-bench drug discovery domain: agent leaderboard percentile over 9 tasks
Dataset subset: BioML-bench v0.1-alpha drug discovery tasks (9 tasks)
5.6 ± 3.7% Proportion (share of tasks where the agent reaches a public leaderboard medal threshold, MLE-bench definition (Section 3.4); non-penalized: runs without a valid submission omitted)
percent · higher

Uncertainty: ± 3.7 (type not stated). Table 4 caption does not name the spread. Figures 2 and 4 show per-domain leaderboard percentiles as mean ± SEM across tasks; the Table 2 caption refers to the reported SEM.

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

MLAgentBench on BioML-bench drug discovery (non-penalized)

lit-agents-20261013-biomlbench-protocol-drug-discovery

Aggregation: Not reported

BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML · Table 4 (page 12), block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench', column 'Any Medal (%)'
Configuration: MLAgentBench, GPT-4.1 backend (BioML-bench)Protocol: BioML-bench drug discovery domain: agent leaderboard percentile over 9 tasks
Dataset subset: BioML-bench v0.1-alpha drug discovery tasks (9 tasks)
22.45 ± 5.93% Leaderboard percentile (mean over tasks in the domain; non-penalized: runs without a valid submission omitted)
percent · higher

Uncertainty: ± 5.93 (type not stated). Table 4 caption does not name the spread. Figures 2 and 4 show per-domain leaderboard percentiles as mean ± SEM across tasks; the Table 2 caption refers to the reported SEM.

Coverage: Not reported scored / Not reported eligible

Independent external evaluation · Source checked
Methods, coverage and source

MLAgentBench on BioML-bench drug discovery (non-penalized)

lit-agents-20261013-biomlbench-protocol-drug-discovery

Aggregation: Not reported

BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML · Table 4 (page 12), block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench', column 'Leaderboard Percentile'

Source checking is not independent reproduction. Release 2026-11-02-a7f03c9e55a5.

Research readiness

0 of 4 readiness checks met. These checks assess whether the evidence supports a reproducible investigation; a source-checked score alone does not meet them.

Readiness checks, gaps and artifacts

Release 2026-11-02-a7f03c9e55a5 · Evidence verified: Not verified

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  • File checksums match the recorded files: not yet verified
  • Predictions are matched to the right samples: not yet verified
  • Score meaning and direction are confirmed: not yet verified
  • Metrics are recomputed from the saved predictions: not yet verified

Verified: Not verified

Evidence incomplete

Investigate discrepancies

Replay evidence includes annotations and an assessment of dependence. Unknown independence permits descriptive analysis only.

Missing or unresolved evidence

  • No verified artifact manifest is linked to this exact record.
  • File checksums match the recorded files: not yet verified
  • Predictions are matched to the right samples: not yet verified
  • Score meaning and direction are confirmed: not yet verified
  • Metrics are recomputed from the saved predictions: not yet verified
  • Sample annotations are recorded: not yet verified
  • Dependence between samples is assessed: not yet verified

Verified: Not verified

Evidence incomplete

Run locally

A pinned recipe describes the inputs, environment and resource requirements.

Missing or unresolved evidence

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  • Predictions are matched to the right samples: not yet verified
  • Score meaning and direction are confirmed: not yet verified
  • A pinned run recipe exists: not yet verified
  • Compute requirements are estimated: not yet verified

Verified: Not verified

Evidence incomplete

Validate independently

Separate data and exposure records support an independent test.

Missing or unresolved evidence

  • No verified artifact manifest is linked to this exact record.
  • File checksums match the recorded files: not yet verified
  • Predictions are matched to the right samples: not yet verified
  • Score meaning and direction are confirmed: not yet verified
  • Independent validation data exist: not yet verified
  • Overlap with training data is checked: not yet verified

Verified: Not verified

Readiness describes the evidence in this release. Availability on your computer is checked separately when an investigation runs. Existing data exposure can prevent independent validation even when files are available.

Artifacts and reproduction

No verified artifact manifest is connected to this record yet. The gaps above identify what is needed before analysis can begin.

Evaluation procedure

BioML-bench drug discovery domain: agent leaderboard percentile over 9 tasks

Configuration
MLAgentBench, GPT-4.1 backend (BioML-bench)
Protocol
BioML-bench drug discovery domain: agent leaderboard percentile over 9 tasks
Dataset subset
BioML-bench v0.1-alpha drug discovery tasks (9 tasks)
origin
Independent external evaluation
configuration
Primary source as retrieved 2026-10-13
protocol id
lit-agents-20261013-biomlbench-protocol-drug-discovery
dataset version
BioML-bench v0.1-alpha task set (Table 3)
split
Each task's train and test split as downloaded from its Polaris Hub benchmark
population
9 drug discovery tasks, four replicate runs per task
inputs
Task description, training data, test features and sample submission
adaptation
Autonomous agent builds and trains its own ML pipeline; LLM backend: GPT-4.1
metric implementation
Task's original metric mapped to the task's public leaderboard percentile
aggregation
Mean over tasks in the domain; non-penalized: runs without a valid submission omitted
budget
CPU-only, 16 vCPUs, 64 GB RAM, 8-hour wall-clock limit per run

Metadata review: source checked. Unreported conditions prevent automatic comparisons.

Reproduction

Split
Each task's train and test split as downloaded from its Polaris Hub benchmark
Adaptation
Autonomous agent builds and trains its own ML pipeline; LLM backend: GPT-4.1
Scoring implementation
Task's original metric mapped to the task's public leaderboard percentile

No execution recipe has been verified for this exact configuration and evaluation. A benchmark's general instructions may use different inputs, splits or model settings.

Reproducing this published result requires matching its model configuration, data, split and scorer. Source checking or a successful smoke test does not establish score reproduction.

Evidence

Source checking verifies the cited claim or transcription. It does not establish independent reproduction.

Evidence table

Inspect claims, sources and review details

Trace each statement to its source and review. A context-only reference supports the record generally; it does not verify an individual field. Source checking does not reproduce an experiment.

One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.

20 evidence rows matching the loaded filters

Claims, original sources and review scope · Release 2026-11-02-a7f03c9e55a5
Property and statementOriginal source and locationReview and provenance
Comparison: adaptation
Autonomous agent builds and trains its own ML pipeline; LLM backend: GPT-4.1
Context-only references
BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML

Original source ↗

Table 4, block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench'

Version: bioRxiv 2025.09.01.673319 version 3, posted 2025-09-28 (versions 1 and 2 posted 2025-09-04 and 2025-09-07)
Retrieved: 2026-10-13T12:38:42Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.adaptation

Source artifact SHA-256: 875cb3519dac9b0ec51c35224e1fc90b107b0676a4cc7c22cecb56eb8ac38b35

Hash scope: SHA-256 of the PDF bytes as downloaded 2026-10-13T12:38:42Z. bioRxiv rewrites the XMP dates and document IDs, the Info ModDate and the trailer /ID on download, so a re-download does not reproduce the hash; the review found a fresh copy differing only in those 43 bytes, with an identical text layer.

Inspected artifact

Comparison: aggregation
Mean over tasks in the domain; non-penalized: runs without a valid submission omitted
Context-only references
BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML

Original source ↗

Table 4, block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench'

Version: bioRxiv 2025.09.01.673319 version 3, posted 2025-09-28 (versions 1 and 2 posted 2025-09-04 and 2025-09-07)
Retrieved: 2026-10-13T12:38:42Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.aggregation

Source artifact SHA-256: 875cb3519dac9b0ec51c35224e1fc90b107b0676a4cc7c22cecb56eb8ac38b35

Hash scope: SHA-256 of the PDF bytes as downloaded 2026-10-13T12:38:42Z. bioRxiv rewrites the XMP dates and document IDs, the Info ModDate and the trailer /ID on download, so a re-download does not reproduce the hash; the review found a fresh copy differing only in those 43 bytes, with an identical text layer.

Inspected artifact

Comparison: budget
CPU-only, 16 vCPUs, 64 GB RAM, 8-hour wall-clock limit per run
Context-only references
BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML

Original source ↗

Table 4, block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench'

Version: bioRxiv 2025.09.01.673319 version 3, posted 2025-09-28 (versions 1 and 2 posted 2025-09-04 and 2025-09-07)
Retrieved: 2026-10-13T12:38:42Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.budget

Source artifact SHA-256: 875cb3519dac9b0ec51c35224e1fc90b107b0676a4cc7c22cecb56eb8ac38b35

Hash scope: SHA-256 of the PDF bytes as downloaded 2026-10-13T12:38:42Z. bioRxiv rewrites the XMP dates and document IDs, the Info ModDate and the trailer /ID on download, so a re-download does not reproduce the hash; the review found a fresh copy differing only in those 43 bytes, with an identical text layer.

Inspected artifact

Comparison: dataset version
BioML-bench v0.1-alpha task set (Table 3)
Context-only references
BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML

Original source ↗

Table 4, block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench'

Version: bioRxiv 2025.09.01.673319 version 3, posted 2025-09-28 (versions 1 and 2 posted 2025-09-04 and 2025-09-07)
Retrieved: 2026-10-13T12:38:42Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.dataset_version

Source artifact SHA-256: 875cb3519dac9b0ec51c35224e1fc90b107b0676a4cc7c22cecb56eb8ac38b35

Hash scope: SHA-256 of the PDF bytes as downloaded 2026-10-13T12:38:42Z. bioRxiv rewrites the XMP dates and document IDs, the Info ModDate and the trailer /ID on download, so a re-download does not reproduce the hash; the review found a fresh copy differing only in those 43 bytes, with an identical text layer.

Inspected artifact

Comparison: inputs
Task description, training data, test features and sample submission
Context-only references
BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML

Original source ↗

Table 4, block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench'

Version: bioRxiv 2025.09.01.673319 version 3, posted 2025-09-28 (versions 1 and 2 posted 2025-09-04 and 2025-09-07)
Retrieved: 2026-10-13T12:38:42Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.inputs

Source artifact SHA-256: 875cb3519dac9b0ec51c35224e1fc90b107b0676a4cc7c22cecb56eb8ac38b35

Hash scope: SHA-256 of the PDF bytes as downloaded 2026-10-13T12:38:42Z. bioRxiv rewrites the XMP dates and document IDs, the Info ModDate and the trailer /ID on download, so a re-download does not reproduce the hash; the review found a fresh copy differing only in those 43 bytes, with an identical text layer.

Inspected artifact

Comparison: metric implementation
Task's original metric mapped to the task's public leaderboard percentile
Context-only references
BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML

Original source ↗

Table 4, block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench'

Version: bioRxiv 2025.09.01.673319 version 3, posted 2025-09-28 (versions 1 and 2 posted 2025-09-04 and 2025-09-07)
Retrieved: 2026-10-13T12:38:42Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.metric_implementation

Source artifact SHA-256: 875cb3519dac9b0ec51c35224e1fc90b107b0676a4cc7c22cecb56eb8ac38b35

Hash scope: SHA-256 of the PDF bytes as downloaded 2026-10-13T12:38:42Z. bioRxiv rewrites the XMP dates and document IDs, the Info ModDate and the trailer /ID on download, so a re-download does not reproduce the hash; the review found a fresh copy differing only in those 43 bytes, with an identical text layer.

Inspected artifact

Comparison: population
9 drug discovery tasks, four replicate runs per task
Context-only references
BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML

Original source ↗

Table 4, block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench'

Version: bioRxiv 2025.09.01.673319 version 3, posted 2025-09-28 (versions 1 and 2 posted 2025-09-04 and 2025-09-07)
Retrieved: 2026-10-13T12:38:42Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.population

Source artifact SHA-256: 875cb3519dac9b0ec51c35224e1fc90b107b0676a4cc7c22cecb56eb8ac38b35

Hash scope: SHA-256 of the PDF bytes as downloaded 2026-10-13T12:38:42Z. bioRxiv rewrites the XMP dates and document IDs, the Info ModDate and the trailer /ID on download, so a re-download does not reproduce the hash; the review found a fresh copy differing only in those 43 bytes, with an identical text layer.

Inspected artifact

Comparison: protocol id
lit-agents-20261013-biomlbench-protocol-drug-discovery
Context-only references
BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML

Original source ↗

Table 4, block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench'

Version: bioRxiv 2025.09.01.673319 version 3, posted 2025-09-28 (versions 1 and 2 posted 2025-09-04 and 2025-09-07)
Retrieved: 2026-10-13T12:38:42Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.protocol_id

Source artifact SHA-256: 875cb3519dac9b0ec51c35224e1fc90b107b0676a4cc7c22cecb56eb8ac38b35

Hash scope: SHA-256 of the PDF bytes as downloaded 2026-10-13T12:38:42Z. bioRxiv rewrites the XMP dates and document IDs, the Info ModDate and the trailer /ID on download, so a re-download does not reproduce the hash; the review found a fresh copy differing only in those 43 bytes, with an identical text layer.

Inspected artifact

Comparison: split
Each task's train and test split as downloaded from its Polaris Hub benchmark
Context-only references
BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML

Original source ↗

Table 4, block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench'

Version: bioRxiv 2025.09.01.673319 version 3, posted 2025-09-28 (versions 1 and 2 posted 2025-09-04 and 2025-09-07)
Retrieved: 2026-10-13T12:38:42Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.comparison.split

Source artifact SHA-256: 875cb3519dac9b0ec51c35224e1fc90b107b0676a4cc7c22cecb56eb8ac38b35

Hash scope: SHA-256 of the PDF bytes as downloaded 2026-10-13T12:38:42Z. bioRxiv rewrites the XMP dates and document IDs, the Info ModDate and the trailer /ID on download, so a re-download does not reproduce the hash; the review found a fresh copy differing only in those 43 bytes, with an identical text layer.

Inspected artifact

Limitations
1 values
  • Reported by the benchmark's authors for a system they did not build.
Context-only references
BioML-bench: Evaluation of AI Agents for End-to-End Biomedical ML

Original source ↗

Table 4, block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench'

Version: bioRxiv 2025.09.01.673319 version 3, posted 2025-09-28 (versions 1 and 2 posted 2025-09-04 and 2025-09-07)
Retrieved: 2026-10-13T12:38:42Z

not individually reviewed

No individual claim review recorded

independent paper

Audit details

Field: attributes.limitations

Source artifact SHA-256: 875cb3519dac9b0ec51c35224e1fc90b107b0676a4cc7c22cecb56eb8ac38b35

Hash scope: SHA-256 of the PDF bytes as downloaded 2026-10-13T12:38:42Z. bioRxiv rewrites the XMP dates and document IDs, the Info ModDate and the trailer /ID on download, so a re-download does not reproduce the hash; the review found a fresh copy differing only in those 43 bytes, with an identical text layer.

Inspected artifact

How to read the evidence

Sources and history

Release 2026-11-02-a7f03c9e55a5 · Record review: source checked

1 source record and release historyDownload this release (gzip)
Technical metadata and extraction receipts

Stable ID: lit-agents-20261013-biomlbench-eval-drug-discovery-non-penalized-mlagentbench

areas
molecular-interactions
contexts
research
origin
independent_paper
protocol
lit-agents-20261013-biomlbench-protocol-drug-discovery
version
Primary source as retrieved 2026-10-13
comparison
protocol id: lit-agents-20261013-biomlbench-protocol-drug-discovery; dataset version: BioML-bench v0.1-alpha task set (Table 3); split: Each task's train and test split as downloaded from its Polaris Hub benchmark; population: 9 drug discovery tasks, four replicate runs per task; inputs: Task description, training data, test features and sample submission; adaptation: Autonomous agent builds and trains its own ML pipeline; LLM backend: GPT-4.1; metric implementation: Task's original metric mapped to the task's public leaderboard percentile; aggregation: Mean over tasks in the domain; non-penalized: runs without a valid submission omitted; budget: CPU-only, 16 vCPUs, 64 GB RAM, 8-hour wall-clock limit per run
n runs
4
source locator
Table 4, block 'Non-penalized', domain 'Drug Discovery', row 'MLAgentBench'
limitations
Reported by the benchmark's authors for a system they did not build.
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