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Gaussian process (GP) is a Bayesian model which provides several advantages for regression tasks in machine learning such as reliable quantitation of uncertainty and improved interpretability. Their adoption has been precluded by their…
Denoising diffusion models (DDMs) have recently attracted increasing attention by showing impressive synthesis quality. DDMs are built on a diffusion process that pushes data to the noise distribution and the models learn to denoise. In…
The increasing reliance on machine learning (ML) models for decision-making requires high-quality training data. However, access to real-world datasets is often restricted due to privacy concerns, proprietary restrictions, and incomplete…
Data exploration is an important step of every data science and machine learning project, including those involving textual data. We provide a novel language tool, in the form of a publicly available Python library for extracting patterns…
A python library for the creation of MCNP6 input decks is described. The library supports geometry generation with automatic assignment of surface/facet numbers, cell numbers, transform numbers and material numbers along with MCNP Universes…
Diffusion Probabilistic Models (DPMs) have emerged as a powerful class of deep generative models, achieving remarkable performance in image synthesis tasks. However, these models face challenges in terms of widespread adoption due to their…
Deep Gaussian Processes (DGP) are hierarchical generalizations of Gaussian Processes (GP) that have proven to work effectively on a multiple supervised regression tasks. They combine the well calibrated uncertainty estimates of GPs with the…
Mathematical programming is widely employed across various sectors - such as logistics, energy, and workforce planning - to model and solve industrial optimisation problems, but its use requires substantial domain expertise. Large language…
Deep learning frameworks have often focused on either usability or speed, but not both. PyTorch is a machine learning library that shows that these two goals are in fact compatible: it provides an imperative and Pythonic programming style…
Learning mappings between functional spaces, also known as function-on-function regression, is a fundamental problem in functional data analysis with broad applications, including spatiotemporal forecasting, curve prediction, and climate…
Various mature automated test generation tools exist for statically typed programming languages such as Java. Automatically generating unit tests for dynamically typed programming languages such as Python, however, is substantially more…
The vast applications of deep generative models are anchored in three core capabilities -- generating new instances, reconstructing inputs, and learning compact representations -- across various data types, such as discrete text/protein…
The dynamic mode decomposition (DMD) is a simple and powerful data-driven modeling technique that is capable of revealing coherent spatiotemporal patterns from data. The method's linear algebra-based formulation additionally allows for a…
Directed graphical models (DGMs) are a class of probabilistic models that are widely used for predictive analysis in sensitive domains, such as medical diagnostics. In this paper we present an algorithm for differentially private learning…
Diffusion-based generative models (DBGMs) perturb data to a target noise distribution and reverse this process to generate samples. The choice of noising process, or inference diffusion process, affects both likelihoods and sample quality.…
This report presents the comprehensive implementation, evaluation, and optimization of Denoising Diffusion Probabilistic Models (DDPMs) and Denoising Diffusion Implicit Models (DDIMs), which are state-of-the-art generative models. During…
Deep Learning Library (DLL) is a new library for machine learning with deep neural networks that focuses on speed. It supports feed-forward neural networks such as fully-connected Artificial Neural Networks (ANNs) and Convolutional Neural…
There are many ways to represent a molecule as input to a machine learning model and each is associated with loss and retention of certain kinds of information. In the interest of preserving three-dimensional spatial information, including…
We present pomegranate, an open source machine learning package for probabilistic modeling in Python. Probabilistic modeling encompasses a wide range of methods that explicitly describe uncertainty using probability distributions. Three…
The synthesis of product design concepts stands at the crux of early-phase development processes for technical products, traditionally posing an intricate interdisciplinary challenge. The application of deep learning methods, particularly…