# Phase-composition prediction on COSMO-RS (test)

Source: [Phase-composition prediction on COSMO-RS (test)](<https://www.sota2.com/research/sota/phase-composition-prediction-on-cosmo-rs-test>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2026-03-13T07:38:12.586Z

Evaluation of models on predicting phase composition using the test split of the COSMO-RS dataset, measured using MAE, RMSE, and R2.

A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage.

| Scope | Recorded value |
| --- | --- |
| Task | Phase-composition prediction |
| Dataset (including any stated split) | COSMO-RS (test) |
| Metric | MAE |
| Unit | SCALAR |
| Direction | Lower is better |
| Results loaded | 3 of 3 |
| Coverage | All results currently returned for this benchmark |

Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol.

## Metrics

- [MAE](<https://www.sota2.com/research/sota/phase-composition-prediction-on-cosmo-rs-test.md?metric=MAE>): Lower is better; unit: SCALAR.

- [RMSE](<https://www.sota2.com/research/sota/phase-composition-prediction-on-cosmo-rs-test.md?metric=RMSE>): Lower is better; unit: SCALAR.

- [R2](<https://www.sota2.com/research/sota/phase-composition-prediction-on-cosmo-rs-test.md?metric=R2>): Higher is better; unit: PERCENT.

## Recorded results

| Method | MAE | Result date | Report paper |
| --- | --- | --- | --- |
| DISCOMAX | 0.045 | Not recorded | 69b39a130636e5bf4afbcafb |
| DISCOMAX H | 0.046 | Not recorded | 69b39a130636e5bf4afbcafb |
| Surrogate G | 0.054 | Not recorded | 69b39a130636e5bf4afbcafb |

### DISCOMAX

MAE: 0.045. Result ID: 69b3bde047f34ce9249d698c.

[Reporting paper](<https://www.sota2.com/research/paper/69b39a130636e5bf4afbcafb.md>)

[Method origin paper](<https://www.sota2.com/research/paper/69b39a130636e5bf4afbcafb.md>)

Recorded evaluation configuration: {"batch-size":"128"}. This record does not assert independent reproduction.

### DISCOMAX H

MAE: 0.046. Result ID: 69b3bde047f34ce9249d698b.

[Reporting paper](<https://www.sota2.com/research/paper/69b39a130636e5bf4afbcafb.md>)

[Method origin paper](<https://www.sota2.com/research/paper/69b39a130636e5bf4afbcafb.md>)

Recorded evaluation configuration: {"batch-size":"128"}. This record does not assert independent reproduction.

### Surrogate G

MAE: 0.054. Result ID: 69b3bde047f34ce9249d698a.

[Reporting paper](<https://www.sota2.com/research/paper/69b39a130636e5bf4afbcafb.md>)

Recorded evaluation configuration: {"batch-size":"64"}. This record does not assert independent reproduction.

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