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Record W4393341832 · doi:10.1515/jnma-2024-0025

Optimal evaluation of symmetry-adapted <i>n</i>-correlations via recursive contraction of sparse symmetric tensors

2024· article· en· W4393341832 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueJournal of Numerical Mathematics · 2024
Typearticle
Languageen
FieldMaterials Science
TopicMachine Learning in Materials Science
Canadian institutionsUniversity of British Columbia
Fundersnot available
KeywordsContraction (grammar)Symmetry (geometry)MathematicsPhysicsPure mathematicsMathematical physicsCombinatoricsGeometryPhilosophyLinguistics

Abstract

fetched live from OpenAlex

Abstract We present a comprehensive analysis of an algorithm for evaluating high-dimensional polynomials that are invariant (or equi-variant) under permutations and rotations. This task arises in the evaluation of linear models as well as equivariant neural network models of many-particle systems. The theoretical bottleneck is the contraction of a high-dimensional symmetric and sparse tensor with a specific sparsity pattern that is directly related to the symmetries imposed on the polynomial. The sparsity of this tensor makes it challenging to construct a highly efficient evaluation scheme. Bachmayr et al. (“Polynomial approximation of symmetric functions,” Math. Comp. , vol. 93, pp. 811–839, 2024) and Lysogorskiy et al. (“Performant implementation of the atomic cluster expansion (pace): application to copper and silicon,” npj Comput. Mater. , vol. 7, Art. no. 97, 2021) introduced a recursive evaluation strategy that relied on a number of heuristics, but performed well in tests. In the present work, we propose an explicit construction of such a recursive evaluation strategy and show that it is in fact optimal in the limit of infinite polynomial degree.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.005
metaresearch head score (Gemma)0.004
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.727
Threshold uncertainty score0.797

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0050.004
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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.

Opus teacher head0.032
GPT teacher head0.317
Teacher spread0.285 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it