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Convolutional neural networks (CNNs) are one of the most successful computer vision systems to solve object recognition. Furthermore, CNNs have major applications in understanding the nature of visual representations in the human brain. Yet…
Convolutional neural networks are increasingly being used to analyze and classify material microstructures, motivated by the possibility that they will be able to identify relevant microstructural features more efficiently and impartially…
Many phenomena in physics, including light, water waves, and sound, are described by wave equations. Given their coefficients, wave equations can be solved to high accuracy, but the presence of the wavelength scale often leads to large…
Unsupervised machine learning methods can be of great help in many traditional engineering disciplines, where huge amount of labeled data is not readily available or is extremely difficult or costly to generate. Two specific examples…
As data-driven methods rise in popularity in materials science applications, a key question is how these machine learning models can be used to understand microstructure. Given the importance of process-structure-property relations…
Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…
Deep learning has established many new state of the art solutions in the last decade in areas such as object, scene and speech recognition. In particular Convolutional Neural Network (CNN) is a category of deep learning which obtains…
Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…
Due to their disordered structure, glasses present a unique challenge in predicting the composition-property relationships. Recently, several attempts have been made to predict the glass properties using machine learning techniques.…
Deep Convolutional Neural Networks (DCNNs) commonly use generic `max-pooling' (MP) layers to extract deformation-invariant features, but we argue in favor of a more refined treatment. First, we introduce epitomic convolution as a building…
In the context of classification problems, Deep Learning (DL) approaches represent state of art. Many DL approaches are based on variations of standard multi-layer feed-forward neural networks. These are also referred to as deep networks.…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising results: neural networks applied to computed molecular…
Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…
In this paper we propose an ensemble of local and deep features for object classification. We also compare and contrast effectiveness of feature representation capability of various layers of convolutional neural network. We demonstrate…
Recent work has shown the potential of graph neural networks to efficiently predict material properties, enabling high-throughput screening of materials. Training these models, however, often requires large quantities of labelled data,…
Deep networks are now able to achieve human-level performance on a broad spectrum of recognition tasks. Independently, neuromorphic computing has now demonstrated unprecedented energy-efficiency through a new chip architecture based on…
Mathematical morphology is a theory and technique to collect features like geometric and topological structures in digital images. Given a target image, determining suitable morphological operations and structuring elements is a cumbersome…
With the achievement on the additive manufacturing, the mechanical properties of architectured materials can be precisely designed by tailoring microstructures. As one of the primary design objectives, the elastic isotropy is of great…
Decades of psychological research have been aimed at modeling how people learn features and categories. The empirical validation of these theories is often based on artificial stimuli with simple representations. Recently, deep neural…