Unsupervised Learning of Nanoindentation Data to Infer Microstructural
Details of Complex Materials
- URL: http://arxiv.org/abs/2309.06613v1
- Date: Tue, 12 Sep 2023 21:45:33 GMT
- Title: Unsupervised Learning of Nanoindentation Data to Infer Microstructural
Details of Complex Materials
- Authors: Chen Zhang, Cl\'emence Bos, Stefan Sandfeld, Ruth Schwaiger
- Abstract summary: Cu-Cr composites were studied by nanoindentation.
An unsupervised learning technique was employed to analyze the data.
Cross-validation was introduced to infer whether the data quantity was adequate.
- Score: 4.771578529731914
- License: http://creativecommons.org/licenses/by-sa/4.0/
- Abstract: In this study, Cu-Cr composites were studied by nanoindentation. Arrays of
indents were placed over large areas of the samples resulting in datasets
consisting of several hundred measurements of Young's modulus and hardness at
varying indentation depths. The unsupervised learning technique, Gaussian
mixture model, was employed to analyze the data, which helped to determine the
number of "mechanical phases" and the respective mechanical properties.
Additionally, a cross-validation approach was introduced to infer whether the
data quantity was adequate and to suggest the amount of data required for
reliable predictions -- one of the often encountered but difficult to resolve
issues in machine learning of materials science problems.
Related papers
- Physical Consistency Bridges Heterogeneous Data in Molecular Multi-Task Learning [79.75718786477638]
We exploit the specialty of molecular tasks that there are physical laws connecting them, and design consistency training approaches.
We demonstrate that the more accurate energy data can improve the accuracy of structure prediction.
We also find that consistency training can directly leverage force and off-equilibrium structure data to improve structure prediction.
arXiv Detail & Related papers (2024-10-14T03:11:33Z) - Machine learning meets mass spectrometry: a focused perspective [0.0]
Mass spectrometry is a widely used method to study molecules and processes in medicine, life sciences, chemistry, and industrial product quality control, among many other applications.
One of the main features of some mass spectrometry techniques is the extensive level of characterization and a large amount of generated data per measurement.
With the development of machine learning methods, the opportunity arises to unlock the potential of these data, enabling previously inaccessible discoveries.
arXiv Detail & Related papers (2024-06-27T14:18:23Z) - Data-Error Scaling in Machine Learning on Natural Discrete Combinatorial Mutation-prone Sets: Case Studies on Peptides and Small Molecules [0.0]
We investigate trends in the data-error scaling behavior of machine learning (ML) models trained on discrete spaces that are prone-to-mutation.
In contrast to typical data-error scaling, our results showed discontinuous monotonic phase transitions during learning.
We present an alternative strategy to normalize learning curves and the concept of mutant based shuffling.
arXiv Detail & Related papers (2024-05-08T16:04:50Z) - Macroscale fracture surface segmentation via semi-supervised learning considering the structural similarity [1.3654846342364308]
Three datasets were created to analyze the influence of structural similarity on the segmentation capability.
We implemented a weak-to-strong consistency regularization for semi-supervised learning.
Our approach reduced the number of labeled images required for training by a factor of 6.
arXiv Detail & Related papers (2024-03-27T08:21:41Z) - Seeing Unseen: Discover Novel Biomedical Concepts via
Geometry-Constrained Probabilistic Modeling [53.7117640028211]
We present a geometry-constrained probabilistic modeling treatment to resolve the identified issues.
We incorporate a suite of critical geometric properties to impose proper constraints on the layout of constructed embedding space.
A spectral graph-theoretic method is devised to estimate the number of potential novel classes.
arXiv Detail & Related papers (2024-03-02T00:56:05Z) - Combining Variational Autoencoders and Physical Bias for Improved
Microscopy Data Analysis [0.0]
We present a physics augmented machine learning method which disentangles factors of variability within the data.
Our method is applied to various materials, including NiO-LSMO, BiFeO3, and graphene.
The results demonstrate the effectiveness of our approach in extracting meaningful information from large volumes of imaging data.
arXiv Detail & Related papers (2023-02-08T17:35:38Z) - Dynamic Latent Separation for Deep Learning [67.62190501599176]
A core problem in machine learning is to learn expressive latent variables for model prediction on complex data.
Here, we develop an approach that improves expressiveness, provides partial interpretation, and is not restricted to specific applications.
arXiv Detail & Related papers (2022-10-07T17:56:53Z) - Analogical discovery of disordered perovskite oxides by crystal
structure information hidden in unsupervised material fingerprints [1.7883499160092873]
We show that an unsupervised deep learning strategy can find fingerprints of disordered materials that embed perovskite formability and underlying crystal structure information.
This phenomenon can be capitalized to predict the crystal symmetry of experimental compositions, outperforming several supervised machine learning (ML) algorithms.
The search space of unstudied perovskites is screened from 600,000 feasible compounds using experimental data powered ML models and automated web mining tools at a 94% success rate.
arXiv Detail & Related papers (2021-05-25T12:25:53Z) - Unsupervised machine learning of topological phase transitions from
experimental data [52.77024349608834]
We apply unsupervised machine learning techniques to experimental data from ultracold atoms.
We obtain the topological phase diagram of the Haldane model in a completely unbiased fashion.
Our work provides a benchmark for unsupervised detection of new exotic phases in complex many-body systems.
arXiv Detail & Related papers (2021-01-14T16:38:21Z) - A Systematic Approach to Featurization for Cancer Drug Sensitivity
Predictions with Deep Learning [49.86828302591469]
We train >35,000 neural network models, sweeping over common featurization techniques.
We found the RNA-seq to be highly redundant and informative even with subsets larger than 128 features.
arXiv Detail & Related papers (2020-04-30T20:42:17Z) - Dropout: Explicit Forms and Capacity Control [57.36692251815882]
We investigate capacity control provided by dropout in various machine learning problems.
In deep learning, we show that the data-dependent regularizer due to dropout directly controls the Rademacher complexity of the underlying class of deep neural networks.
We evaluate our theoretical findings on real-world datasets, including MovieLens, MNIST, and Fashion-MNIST.
arXiv Detail & Related papers (2020-03-06T19:10:15Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.