MIST, FRIGID checkpoint (vFRIGID) (MassSpecGym in the Wild)
MIST, FRIGID checkpoint (vFRIGID); no settings beyond its name are recorded.
Overview
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Evaluations and results
4 evaluations · 4 results. Different protocols are not a single leaderboard.
Dataset: MassSpecGym test fold, formula-known retrieval candidates (bonus) (MassSpecGym in the Wild)
Sorted by Top-1 accuracy (retrieval) (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 configuration | Protocol and dataset | Top-1 accuracy (retrieval) | Top-1 MCES (retrieval) | Top-20 accuracy (retrieval) | Top-5 accuracy (retrieval) |
|---|---|---|---|---|---|
| MIST, FRIGID checkpoint (vFRIGID) (MassSpecGym in the Wild)Evaluation | MassSpecGym formula-known retrieval (bonus), Hit rate@1 (MassSpecGym in the Wild Table 3) | 53.76 (52.51-55.02)% | Not reported | Not reported | Not reported |
| MIST, FRIGID checkpoint (vFRIGID) (MassSpecGym in the Wild)Evaluation | MassSpecGym formula-known retrieval (bonus), Hit rate@20 (MassSpecGym in the Wild Table 3) | Not reported | Not reported | 74.71 (73.64-75.73)% | Not reported |
| MIST, FRIGID checkpoint (vFRIGID) (MassSpecGym in the Wild)Evaluation | MassSpecGym formula-known retrieval (bonus), Hit rate@5 (MassSpecGym in the Wild Table 3) | Not reported | Not reported | Not reported | 65.32 (64.09-66.45)% |
| MIST, FRIGID checkpoint (vFRIGID) (MassSpecGym in the Wild)Evaluation | MassSpecGym formula-known retrieval (bonus), MCES@1 (MassSpecGym in the Wild Table 3) | Not reported | 5.16 (4.99-5.33) | Not reported | Not reported |
All 4 result rows with coverage, uncertainty and sources
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| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: MIST, FRIGID checkpoint (vFRIGID) (MassSpecGym in the Wild) | Protocol: MassSpecGym formula-known retrieval (bonus), Hit rate@1 (MassSpecGym in the Wild Table 3) Dataset: MassSpecGym test fold, formula-known retrieval candidates (bonus) (MassSpecGym in the Wild) | 53.76 (52.51-55.02)% Top-1 accuracy (retrieval) percent · higher Uncertainty: 99.9% CI 52.51 to 55.02. Range printed in parentheses after the mean. Table 3 caption: 99.9% BCa bootstrap intervals over 20,000 resamples, stated for all bracketed values. Value repeated from the cited work; that work's own interval settings were not checked. Coverage: Not reported scored / Not reported eligible | Result quoted from another source · Source checkedMethods, coverage and sourceMIST, FRIGID checkpoint (vFRIGID) on MassSpecGym formula-retrieval (Hit rate@1) lit-otheromics-20261011-msgwild-protocol-formula-retrieval-hit-rate-1 Aggregation: Not reported MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery · Table 3, section 'Reported Performance in Retrieval Task w/ Bonus (i.e., Formula Known)', row 'MIST vFRIGID', column 'Hit rate@1' |
| Configuration: MIST, FRIGID checkpoint (vFRIGID) (MassSpecGym in the Wild) | Protocol: MassSpecGym formula-known retrieval (bonus), Hit rate@20 (MassSpecGym in the Wild Table 3) Dataset: MassSpecGym test fold, formula-known retrieval candidates (bonus) (MassSpecGym in the Wild) | 74.71 (73.64-75.73)% Top-20 accuracy (retrieval) percent · higher Uncertainty: 99.9% CI 73.64 to 75.73. Range printed in parentheses after the mean. Table 3 caption: 99.9% BCa bootstrap intervals over 20,000 resamples, stated for all bracketed values. Value repeated from the cited work; that work's own interval settings were not checked. Coverage: Not reported scored / Not reported eligible | Result quoted from another source · Source checkedMethods, coverage and sourceMIST, FRIGID checkpoint (vFRIGID) on MassSpecGym formula-retrieval (Hit rate@20) lit-otheromics-20261011-msgwild-protocol-formula-retrieval-hit-rate-20 Aggregation: Not reported MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery · Table 3, section 'Reported Performance in Retrieval Task w/ Bonus (i.e., Formula Known)', row 'MIST vFRIGID', column 'Hit rate@20' |
| Configuration: MIST, FRIGID checkpoint (vFRIGID) (MassSpecGym in the Wild) | Protocol: MassSpecGym formula-known retrieval (bonus), Hit rate@5 (MassSpecGym in the Wild Table 3) Dataset: MassSpecGym test fold, formula-known retrieval candidates (bonus) (MassSpecGym in the Wild) | 65.32 (64.09-66.45)% Top-5 accuracy (retrieval) percent · higher Uncertainty: 99.9% CI 64.09 to 66.45. Range printed in parentheses after the mean. Table 3 caption: 99.9% BCa bootstrap intervals over 20,000 resamples, stated for all bracketed values. Value repeated from the cited work; that work's own interval settings were not checked. Coverage: Not reported scored / Not reported eligible | Result quoted from another source · Source checkedMethods, coverage and sourceMIST, FRIGID checkpoint (vFRIGID) on MassSpecGym formula-retrieval (Hit rate@5) lit-otheromics-20261011-msgwild-protocol-formula-retrieval-hit-rate-5 Aggregation: Not reported MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery · Table 3, section 'Reported Performance in Retrieval Task w/ Bonus (i.e., Formula Known)', row 'MIST vFRIGID', column 'Hit rate@5' |
| Configuration: MIST, FRIGID checkpoint (vFRIGID) (MassSpecGym in the Wild) | Protocol: MassSpecGym formula-known retrieval (bonus), MCES@1 (MassSpecGym in the Wild Table 3) Dataset: MassSpecGym test fold, formula-known retrieval candidates (bonus) (MassSpecGym in the Wild) | 5.16 (4.99-5.33) Top-1 MCES (retrieval) unitless · lower Uncertainty: 99.9% CI 4.99 to 5.33. Range printed in parentheses after the mean. Table 3 caption: 99.9% BCa bootstrap intervals over 20,000 resamples, stated for all bracketed values. Value repeated from the cited work; that work's own interval settings were not checked. Coverage: Not reported scored / Not reported eligible | Result quoted from another source · Source checkedMethods, coverage and sourceMIST, FRIGID checkpoint (vFRIGID) on MassSpecGym formula-retrieval (MCES@1) lit-otheromics-20261011-msgwild-protocol-formula-retrieval-mces-1 Aggregation: Not reported MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery · Table 3, section 'Reported Performance in Retrieval Task w/ Bonus (i.e., Formula Known)', row 'MIST vFRIGID', column 'MCES@1' |
Source checking is not independent reproduction. Release 2026-10-23-5347695500ed.
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Evidence
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Evidence table
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Sources and history
Release 2026-10-23-5347695500ed · Record review: source checked
1 source record and release history
- MassSpecGym in the Wild: Uncovering and Correcting Evaluation Pitfalls in AI-Driven Molecule Discovery · Original source · arXiv:2606.19624v1 (submitted 2026-06-17), arXiv HTML rendering
Technical metadata and extraction receipts
Stable ID: lit-otheromics-20261011-msgwild-config-mist-frigid-checkpoint-vfrigid
- areas
- metabolomics
- contexts
- research
- method types
- supervised_machine_learning
- reported name
- MIST vFRIGID
- foundation model eligible
- false
- parameters
- MIST, FRIGID checkpoint (vFRIGID)
- access reuse
- Not stated in the source; see the cited work or https://github.com/pluskal-lab/MassSpecGym
- source locator
- Table 3 row 'MIST vFRIGID'
- missing metadata
- version: reason: unreported; note: Only the printed row label identifies the setup
- provenance note
- MIST, FRIGID checkpoint (vFRIGID), as listed in MassSpecGym in the Wild Table 3.
Related records
- configuration of: MIST
- system: MIST, FRIGID checkpoint (vFRIGID) on MassSpecGym formula-retrieval (Hit rate@1)
- system: MIST, FRIGID checkpoint (vFRIGID) on MassSpecGym formula-retrieval (Hit rate@20)
- system: MIST, FRIGID checkpoint (vFRIGID) on MassSpecGym formula-retrieval (Hit rate@5)
- system: MIST, FRIGID checkpoint (vFRIGID) on MassSpecGym formula-retrieval (MCES@1)