A comparative performance of machine learning algorithms on laser‐induced breakdown spectroscopy data of minerals
Bibliographic record
Abstract
Abstract The exploration and analyses of chemical components in (extra‐)terrestrial geological materials (such as asteroids and meteorites) are insightful in modern research. Laser‐induced breakdown spectroscopy (LiBS) is a popular method for analyzing the chemical attributes of geologic samples—which scientists use to study and understand planetary bodies and their complex histories. In the literature, several machine learning models that produce high‐accuracy predictions have been proposed. In our work, we compared the performances of such models in predicting elemental abundances on a certain spectroscopic dataset. Models included partial least squares (PLS), extreme gradient boost machines (XGB), neural networks, and linear models. In our results, we showed how PLS and XGB are superior in terms of high predictive power, their ability to generalize, and their reasonably efficient runtimes. In addition, we proposed Ensemble models that aggregate predictions of top‐tier models and observed that they can be desirable. We intend to gain better understanding of how these models perform in predicting elemental compositions on specific spectrum (LIBS) datasets.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.007 | 0.011 |
| Meta-epidemiology (narrow) | 0.002 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.003 | 0.002 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.002 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.002 | 0.002 |
| Insufficient payload (model declined to judge) | 0.001 | 0.001 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".