Predicting Poisson's Ratio: A Study of Semi-supervised Anomaly Detection and Supervised Approaches

25 September 2023, Version 2
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Auxetics are a rare class of materials that exhibit a negative Poisson's ratio. The existence of these auxetic materials is rare but has a large number of applications in designing exotic materials. We build a complete machine learning framework to detect Auxetic materials as well as Poisson’s ratio of non-auxetic materials. A semi-supervised anomaly detection model is presented which is capable of separating out the auxetics materials (treated as an anomaly) from an unknown database with an average precision of 0.64. Another regression model (supervised) is also created to predict the Poisson’s ratio of non-auxetic materials with an R² ≈ 0.82. Additionally, this regression model helps in finding the optimal features for the anomaly detection model. This methodology can be generalized and used to discover materials with rare physical properties.

Keywords

Auxetic
Machine Learning
Anomaly Detection
Deep Learning
Autoencoder
Semi-Supervised
Supervised
Regression
Elastic
Material Design
Poisson's Ratio
Material Screening
exceptional properties
Modulus
Reconstruction loss
Neural Network
True Positive
F1 Score
Classification
NPR materials
cross validation
ReLu
Sigmoid
hyperparameters
DFT
materials project
ADAM
Elate
IQR
Interquartile
latent dimension
α-cristobalite
Pearson Correlation
Random Forest
Gradient Boosting

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