Scaling Laws and Symmetry, Evidence from Neural Force Fields
Bibliographic record
Abstract
We present an empirical study in the geometric task of learning interatomic potentials, which shows equivariance matters even more at larger scales; we show a clear power-law scaling behaviour with respect to data, parameters and compute with ``architecture-dependent exponents''. In particular, we observe that equivariant architectures, which leverage task symmetry, scale better than non-equivariant models. Moreover, among equivariant architectures, higher-order representations translate to better scaling exponents. Our analysis also suggests that for compute-optimal training, the data and model sizes should scale in tandem regardless of the architecture. At a high level, these results suggest that, contrary to common belief, we should not leave it to the model to discover fundamental inductive biases such as symmetry, especially as we scale, because they change the inherent difficulty of the task and its scaling laws.
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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 | 0.003 | 0.047 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.004 |
| Scholarly communication | 0.001 | 0.005 |
| Open science | 0.001 | 0.002 |
| Research integrity | 0.001 | 0.002 |
| Insufficient payload (model declined to judge) | 0.004 | 0.000 |
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".