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Despite the extensive usage of oxide glasses for a few millennia, the composition-property relationships in these materials still remain poorly understood. While empirical and physics-based models have been used to predict properties, these…

Nanoparticles occur in various environments as a consequence of man-made processes, which raises concerns about their impact on the environment and human health. To allow for proper risk assessment, a precise and statistically relevant…

Using established principles from Statistics and Information Theory, we show that invariance to nuisance factors in a deep neural network is equivalent to information minimality of the learned representation, and that stacking layers and…

We introduce Active Predictive Coding Networks (APCNs), a new class of neural networks that solve a major problem posed by Hinton and others in the fields of artificial intelligence and brain modeling: how can neural networks learn…

Refractory multi-principal element alloys (RMPEAs) represent a novel class of alloys characterized by an extensive compositional design space and the potential for exceptional mechanical performance under extreme conditions. While accurate…

The mathematical formulation of constitutive models to describe the path-dependent, i.e., inelastic, behavior of materials is a challenging task and has been a focus in mechanics research for several decades. There have been increased…

Active inference is a theory of perception, learning and decision making, which can be applied to neuroscience, robotics, and machine learning. Recently, reasearch has been taking place to scale up this framework using Monte-Carlo tree…

Materials discovery is a computationally intensive process that requires exploring vast chemical spaces to identify promising candidates with desirable properties. In this work, we propose using quantum-enhanced machine learning algorithms…

In machine learning, error back-propagation in multi-layer neural networks (deep learning) has been impressively successful in supervised and reinforcement learning tasks. As a model for learning in the brain, however, deep learning has…

Deep learning techniques have opened a new venue for electronic structure theory in recent years. In contrast to traditional methods, deep neural networks provide much more expressive and flexible wave function ansatz, resulting in better…

In the recent past, there have been many efforts to accelerate adaptive beamforming for ultrasound (US) imaging using neural networks (NNs). However, most of these efforts are based on static models, i.e., they are trained to learn a single…

The spectacular performance of halide perovskites in optoelectronic devices is rooted in their tolerance to defects. Previous studies showed that defects in these materials generate shallow electronic states. However, how these shallow…

Active learning (AL) can drastically accelerate materials discovery; its power has been shown in various classes of materials and target properties. Prior efforts have used machine learning models for the optimal selection of physical…

The current understanding of deep neural networks can only partially explain how input structure, network parameters and optimization algorithms jointly contribute to achieve the strong generalization power that is typically observed in…

Structured prediction in natural language processing (NLP) has a long history. The complex models of structured application come at the difficulty of learning and inference. These difficulties lead researchers to focus more on models with…

Deep neural networks provide flexible frameworks for learning data representations and functions relating data to other properties and are often claimed to achieve 'super-human' performance in inferring relationships between input data and…

Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes…

Conventional representation learning algorithms for knowledge graphs (KG) map each entity to a unique embedding vector. Such a shallow lookup results in a linear growth of memory consumption for storing the embedding matrix and incurs high…

Active learning aims to reduce annotation cost by predicting which samples are useful for a human expert to label. Although this field is quite old, several important challenges to using active learning in real-world settings still remain…

Perovskite Quantum Dots (PQDs) have a promising future for several applications due to their unique properties. This study investigates the effectiveness of Machine Learning (ML) in predicting the size, absorbance (1S abs) and…