Related papers: Persistent homology-based descriptor for machine-l…
Persistent homology (PH) is a rigorous mathematical theory that provides a robust descriptor of data in the form of persistence diagrams (PDs) which are 2D multisets of points. Their variable size makes them, however, difficult to combine…
An Important tool in the field topological data analysis is known as persistent Homology (PH) which is used to encode abstract representation of the homology of data at different resolutions in the form of persistence diagram (PD). In this…
Persistent Homology (PH) is a useful tool to study the underlying structure of a data set. Persistence Diagrams (PDs), which are 2D multisets of points, are a concise summary of the information found by studying the PH of a data set.…
A suitable feature representation that can both preserve the data intrinsic information and reduce data complexity and dimensionality is key to the performance of machine learning models. Deeply rooted in algebraic topology, persistent…
Persistent Homology (PH) is a fundamental tool in computational topology, designed to uncover the intrinsic geometric and topological features of data across multiple scales. Originating within the broader framework of Topological Data…
Topological Data Analysis (TDA) offers a suite of computational tools that provide quantified shape features in high dimensional data that can be used by modern statistical and predictive machine learning (ML) models. In particular,…
Persistent homology (PH) is a rigorous mathematical theory that provides a robust descriptor of data in the form of persistence diagrams (PDs). PDs exhibit, however, complex structure and are difficult to integrate in today's machine…
Many datasets can be viewed as a noisy sampling of an underlying space, and tools from topological data analysis can characterize this structure for the purpose of knowledge discovery. One such tool is persistent homology, which provides a…
We propose a unified framework based on persistent homology (PH) to characterize both local and global structures in disordered systems. It can simultaneously generate local and global descriptors using the same algorithm and data…
Persistent Homology (PH) offers stable, multi-scale descriptors of intrinsic shape structure by capturing connected components, loops, and voids that persist across scales, providing invariants that complement purely geometric…
Persistent homology (PH) is a method used in topological data analysis (TDA) to study qualitative features of data that persist across multiple scales. It is robust to perturbations of input data, independent of dimensions and coordinates,…
Data analysis that uses the output of topological data analysis as input for machine learning algorithms has been the subject of extensive research. This approach offers a means of capturing the global structure of data. Persistent homology…
Characterization of medium-range order in amorphous materials and its relation to short-range order is discussed. A new topological approach is presented here to extract a hierarchical structure of amorphous materials, which is robust…
The inner representation of deep neural networks (DNNs) is indecipherable, which makes it difficult to tune DNN models, control their training process, and interpret their outputs. In this paper, we propose a novel approach to investigate…
Persistence diagrams (PDs), often characterized as sets of death and birth of homology class, have been known for providing a topological representation of a graph structure, which is often useful in machine learning tasks. Prior works rely…
This article proposes a topological method that extracts hierarchical structures of various amorphous solids. The method is based on the persistence diagram (PD), a mathematical tool for capturing shapes of multiscale data. The input to the…
Understanding and predicting thermal transport in disordered materials remains a significant challenge due to the absence of periodicity and the complex nature of medium-range structural motifs. In this work, we investigate amorphous…
This article aims to study the topological invariant properties encoded in node graph representational embeddings by utilizing tools available in persistent homology. Specifically, given a node embedding representation algorithm, we…
Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…
In machine-learning-assisted high-throughput defect studies, a defect-aware latent representation of the supercell structure is crucial to the accurate prediction of defect properties. The performance of current graph neural network (GNN)…