MétaCan
Menu
Back to cohort

Machine Learning Enabled Prediction of High Stiffness 2D Materials

2024· article· en· W4391252513 on OpenAlex
Hema Rajesh Nadella, Sankha Mukherjee, Abu Anand, Chandra Veer Singh

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.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueACS Materials Letters · 2024
Typearticle
Languageen
FieldMaterials Science
TopicMXene and MAX Phase Materials
Canadian institutionsUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of CanadaUniversity of Toronto
KeywordsStiffnessMaterials scienceComputer scienceArtificial intelligenceMachine learningComposite material

Abstract

fetched live from OpenAlex

Persistent exploration of high stiffness two-dimensional (2D) materials is necessary for advancements in applications such as nanocomposites, flexible electronics, and resonant sensors, all of which demand elevated resistance to deformation. However, data-centric material models developed for this purpose remain in their early stages, often due to incomplete stiffness estimation or limited transferability to unseen 2D materials. In this context, we examined stiffness trends among different classes of 2D materials and identified the elastic constants pivotal for estimating the 2D material stiffness irrespective of their crystal symmetry. Subsequently, we developed Gaussian Process Regression machine learning models with the capability of relative stiffness comparison, which are used to predict high stiffness candidates across a broad spectrum of unseen 2D materials during model training. The probability of finding high stiffness 2D materials increased significantly, from a mere 1% in the training data set to a notable 47% in the set of machine learning-predicted 2D materials. We also discussed potential stiffening mechanisms, competing stiffness characteristics, and complementary properties of these predicted high-stiffness 2D materials that are crucial for enhancing the effectiveness of the aforementioned applications.

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)0.002
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesInsufficient payload (model declined to judge)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.010
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0010.001
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0110.001

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.

Opus teacher head0.013
GPT teacher head0.229
Teacher spread0.217 · 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