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Antimicrobial resistance is one of the biggest health problem, especially in the current period of COVID-19 pandemic. Due to the unique membrane-destruction bactericidal mechanism, antimicrobial peptide-mimetic copolymers are paid more…
Stochastic processes provide a mathematically elegant way model complex data. In theory, they provide flexible priors over function classes that can encode a wide range of interesting assumptions. In practice, however, efficient inference…
AI-powered autonomous experimentation (AI/AE) can accelerate materials discovery but its effectiveness for electronic materials is hindered by data scarcity from lengthy and complex design-fabricate-test-analyze cycles. Unlike experienced…
In many machine learning tasks, learning a good representation of the data can be the key to building a well-performant solution. This is because most learning algorithms operate with the features in order to find models for the data. For…
Among other uses, neural networks are a powerful tool for solving deterministic and Bayesian inverse problems in real-time, where variational autoencoders, a specialized type of neural network, enable the Bayesian estimation of model…
Variational Autoencoders (VAEs) typically rely on a probabilistic decoder with a predefined likelihood, most commonly an isotropic Gaussian, to model the data conditional on latent variables. While convenient for optimization, this choice…
Laminated composite materials are widely used in most fields of engineering. Wave propagation analysis plays an essential role in understanding the short-duration transient response of composite structures. The forward physics-based models…
The tools and technology that are currently used to analyze chemical compound structures that identify polymer types in microplastics are not well-calibrated for environmentally weathered microplastics. Microplastics that have been degraded…
In daily life, graphic symbols, such as traffic signs and brand logos, are ubiquitously utilized around us due to its intuitive expression beyond language boundary. We tackle an open-set graphic symbol recognition problem by one-shot…
In the present work, a generative deep learning framework combining a Co-optimized Variational Autoencoder (Co-VAE) architecture with quantitative structure-property relationship (QSPR) techniques is developed to enable accelerated inverse…
Variational AutoEncoder (VAE) has been extended as a representative nonlinear method for collaborative filtering. However, the bottleneck of VAE lies in the softmax computation over all items, such that it takes linear costs in the number…
Data-driven synthesis planning with machine learning is a key step in the design and discovery of novel inorganic compounds with desirable properties. Inorganic materials synthesis is often guided by chemists' prior knowledge and…
We propose a variational autoencoder (VAE) approach for parameter estimation in nonlinear mixed-effects models based on ordinary differential equations (NLME-ODEs) using longitudinal data from multiple subjects. In moderate dimensions,…
Fluid ferroelectrics, a recently discovered class of liquid crystals that exhibit switchable, long-range polar order, offer opportunities in ultrafast electro-optic technologies, responsive soft matter, and next-generation energy materials.…
Autoencoders have been used for finding interpretable and disentangled features underlying neural network representations in both image and text domains. While the efficacy and pitfalls of such methods are well-studied in vision, there is a…
The accelerated exploration of the materials space in order to identify configurations with optimal properties is an ongoing challenge. Current paradigms are typically centered around the idea of performing this exploration through…
The discovery of novel materials with tailored electronic properties is crucial for modern device technologies, but time-consuming empirical methods hamper progress. We present an inverse design framework combining an enhanced Wasserstein…
Variational autoencoders (VAEs) provide an effective and simple method for modeling complex distributions. However, training VAEs often requires considerable hyperparameter tuning to determine the optimal amount of information retained by…
Variational autoencoders (VAEs) are powerful deep generative models widely used to represent high-dimensional complex data through a low-dimensional latent space learned in an unsupervised manner. In the original VAE model, the input data…
We introduce a novel one-parameter variational objective that lower bounds the data evidence and enables the estimation of approximate fractional posteriors. We extend this framework to hierarchical construction and Bayes posteriors,…