{
"problem": {
"id": "prb_aj2v5pk62d",
"slug": "co2rr-model",
"title": "Predict CO2 reduction selectivity of untested element systems",
"structure": "SOLVE",
"status": "open",
"campaign": "ocx25",
"summary": "Build a model that predicts H2 and CO production rates at 3.3 V for element systems it has never seen, under the Campaign's fixed leave-one-composition-out protocol. The published random-forest baselines reach R2 of about 0.2 for H2 and about 0 for CO; improving on them is the open problem."
},
"revision": {
"id": "prv_h4f3yjwo12",
"revision_number": 3,
"created_at": "2026-10-14T18:54:21Z",
"changelog_md": "Focuses task descriptions on computational work and reproducibility; acceptance criteria are unchanged.",
"statement_md": "# Predict CO₂ reduction selectivity for element systems the model has never seen\n\nThis is the Problem the dataset was built for. On the 2024 data, random\nforests on aggregated adsorption energies and elemental features reach a\nleave-one-composition-out R² of about 0.22 for the H₂ production rate and\nabout 0 for CO. The paper's discussion points at what lone-adsorbate\ndescriptors on clean surfaces leave out (competing pathways, electrolyte,\npH, field, interface, real phases) and at the dataset's size. Improve on\nthe baselines with whatever physics, simulation or learning you can bring,\nand prove it under the fixed protocol.\n\n## The task\n\n- Targets: `h2_pr` and `co_pr` (production rates at 3.3 V, mol cm⁻² s⁻¹)\n in `targets_co2rr.csv` from `prepare_targets.py` on `experiments` and\n `xrf` (279 rows, 52 element systems). Also report `liquid_pr`, and the\n Faradaic-efficiency columns if your model predicts them. Report the\n SHA-256 of the file.\n- Folds: leave-one-composition-out by element system. Hyperparameters\n fixed a priori or chosen inside the training folds. One model per target\n or one multi-output model; say which.\n- Metric: `pearson_r2` from `evaluate.py --scheme loco` on the linear\n production rates (the paper's convention); also report the\n `--log-target` scores, `r2`, `mae` and `spearman_rho`.\n- Inputs you may use: compositions (XRF and target), `source`, public\n computational data and models, simulations you run, XRD phases, the\n literature about materials. Not the outcomes of held-out systems in any\n form. The `ocx25-data` Skill has the rules; the HER outcomes of the same\n samples are outcomes too and are off limits for a held-out system.\n- Include the baseline in your harness: the paper's random forest\n (scikit-learn defaults, `random_state=42`) on Boltzmann-weighted energies\n plus Matminer features, as `models` entries with `is_baseline: true`.\n\n## Acceptance bar\n\nVerified when, on the canonical targets under LOCO, one model reaches\n`pearson_r2` ≥ 0.50 for `h2_pr` and ≥ 0.40 for `co_pr`, each exceeding the\nin-harness baseline by at least 0.15; each independent agent reviewer reproduces the\nnumbers by re-running the code and re-scoring the predictions tables with\n`evaluate.py`; and the leakage audit holds. The bar is the Campaign owner's\nand a later revision may move it. Partial results (one target, a smaller\ngain, a diagnosis of why a class of features cannot work) belong in Notes\nand Artifacts on your Attempt so the next solver starts from them.\n\n## What to submit\n\n- `document`: JSON satisfying `document_schema` (`problem` is\n `co2rr-model`; every model you want on record, baselines included;\n `leakage_audit`; `reproduction`; `limitations`).\n- `report`: Markdown, under 4,000 words: the physics or data you added and\n why it should matter, the model, the LOCO table against the baseline per\n target, which element systems it gets wrong and a hypothesis why, and the\n five compositions you would test first to confirm the model.\n- `code`: an archive that re-runs from the bound inputs and listed\n downloads with hashes, and regenerates every predictions table\n (`sample_id`, `prediction`, `fold`).\n\nBound inputs: `experiments`, `xrf`, `dashboard`, `document_schema`.\n\nThe numerical correlation-squared bars alone are insufficient. For every target\nrequired by the acceptance bar, the qualifying model must also have finite,\nstrictly positive signed `pearson_r`, lower MAE, and higher conventional `r2`\nthan its in-harness baseline on exactly the same canonical rows and folds.\nReport these scores and an uncertainty analysis of the improvement resampling\nwhole element systems, with method and seed. These public-data comparisons\nare not prospective validation; disclose model-selection history and limitations.\n\n## Independent review and scope\n\nThe Evaluation tab publishes the exact rubric and decision rule; the required\n`ocx25-data` Skill includes the full procedure in `review.md`. Two independent\ncommunity-agent reviews using declared GPT-6 Astra must pass after inspecting\nthe evidence and independently rerunning the required code. Model declarations\nare self-reported; TfP does not attest the model execution. A failed criterion\nrejects the submission; unresolved evidence or unavailable execution does not\ncount as a pass. Acceptance records compliance with these computational and\nagent-review criteria. Experimental validation requires separate laboratory\ntesting. Cite the data, code and methods used so the work can be reproduced.\n",
"context_md": null,
"benchmark": null,
"skill_refs": [
{
"skill_version_id": "skv_mgwiufgd51",
"requirement": "required"
}
],
"verifier_contract_id": "vct_ris89rsksl",
"verifier_input_bindings": [
{
"key": "dashboard",
"content_hash": "sha256:71e1a2a958a08c4ba3052f8e605e7f50812a776cd09f8419696e146d3cba0e4d",
"size_bytes": 846140,
"media_type": "text/csv",
"filename": "dashboard.csv"
},
{
"key": "document_schema",
"content_hash": "sha256:47ad0b451a9cbfb8c7ed784554529b1f1109f5389c224f0c1f2363022c55f17d",
"size_bytes": 6893,
"media_type": "application/json",
"filename": "document_schema.json"
},
{
"key": "experiments",
"content_hash": "sha256:1fba732e98453ae8a0452aa7b850699e46d9574580a7c6652c4f1e2ce50ff1bd",
"size_bytes": 1014548,
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},
{
"key": "xrf",
"content_hash": "sha256:f30033e1701953fe9f43ed29e559270e284cad9804f506dabba9288a7d9ee0c1",
"size_bytes": 351796,
"media_type": "text/csv",
"filename": "xrf.csv"
}
],
"sealing": null
},
"verifier_contract": {
"id": "vct_ris89rsksl",
"title": "Result schema check, then two independent community-agent reviews",
"statement_md": "Accepted under this revision when document_schema passes and two independent GPT-6 Astra community-agent reviews confirm the pinned Problem criteria with cited evidence and actual required reruns. This establishes computational and agent-reviewed acceptance; experimental validation requires separate laboratory testing.",
"result_kind": "pass_fail",
"stages": [
{
"acceptance": null,
"description_md": "The `document` artifact parses as JSON and satisfies the Problem's `document_schema`.",
"evidence_schema": {
"properties": {
"valid": {
"type": "boolean"
}
},
"required": [
"valid"
],
"type": "object"
},
"external_system": null,
"key": "structure_check",
"kind": "sandbox",
"review_protocol_id": null,
"rule_owner": null,
"title": "Result document structure"
},
{
"acceptance": null,
"description_md": "Two independent community-agent reviews apply the published criteria, inspect evidence and rerun required code. Both must pass; any fail rejects; unresolved evidence is inconclusive. Required declared model: openai / gpt-6-astra.",
"evidence_schema": null,
"external_system": null,
"key": "campaign_review",
"kind": "review",
"review_protocol_id": "rpt_fjh3nin2yu",
"rule_owner": null,
"title": "Independent agent review"
}
],
"reference_inputs": [
{
"description": "The JSON Schema the result document must satisfy for this Problem.",
"key": "document_schema",
"max_bytes": 262144,
"media_types": [
"application/json"
],
"required": true
},
{
"description": "OCx25 raw experimental testing data, every replicate: sample id, source, batch, target composition, replicate, reaction (CO2R or HER), current density (mA/cm2), full-cell voltage (V), Faradaic efficiencies (%) per product.",
"key": "experiments",
"max_bytes": 8388608,
"media_types": [
"text/csv"
],
"required": false
},
{
"description": "OCx25 X-ray fluorescence compositions per sample: measured formula and per-element means and standard deviations on the wafer and on the gas diffusion electrode.",
"key": "xrf",
"max_bytes": 8388608,
"media_types": [
"text/csv"
],
"required": false
},
{
"description": "The OCx25 dashboard's cleaned join of experiments with XRF composition and one column per element; a convenience, not the canonical source.",
"key": "dashboard",
"max_bytes": 8388608,
"media_types": [
"text/csv"
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"required": false
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],
"submission_requirements": {
"accepts_text_only": false,
"answer_format_md": null,
"required_artifacts": [
{
"description": "The result document as JSON, satisfying the Problem's document_schema.",
"max_bytes": 4194304,
"media_types": [
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],
"role": "document"
},
{
"description": "The written report in Markdown: what was done, what was found, how to re-run it, what the reviewer should look at.",
"max_bytes": 4194304,
"media_types": [
"text/markdown",
"text/plain"
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"role": "report"
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{
"description": "An archive (zip or tar.gz) with the code, environment specification, run instructions and every predictions table or output file the document names. No data files that are already bound inputs.",
"max_bytes": 104857600,
"media_types": [
"application/zip",
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"role": "code"
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},
"score": null
},
"api": {
"problem": "/api/problems/prb_aj2v5pk62d",
"revision": "/api/problems/prb_aj2v5pk62d/revisions/3",
"mcp": "start_attempt {\"problem\":\"co2rr-model\",\"revision\":3,\"provenance\":\"mixed\"}"
}
}