Related papers: ChemXSeer Digital Library Gaussian Search
Crystal Toolkit is an open source tool for viewing, analyzing and transforming crystal structures, molecules and other common forms of materials science data in an interactive way. It is intended to help beginners rapidly develop web-based…
We are designing and developing a web user interface for digital mathematics libraries called WebMIaS. It allows queries to be expressed by mathematicians through a faceted search interface. Users can combine standard textual autocompleted…
We describe QWalk, a new computational package capable of performing Quantum Monte Carlo electronic structure calculations for molecules and solids with many electrons. We describe the structure of the program and its implementation of…
In this letter, a new filtering technique to solve a nonlinear state estimation problem has been developed. It is well known that for a nonlinear system, the prior and posterior probability density functions (pdf) are non-Gaussian in…
Herein, we present the application of MEGAN, our explainable AI (xAI) model, for the identification of small colloidally aggregating molecules (SCAMs). This work offers solutions to the long-standing problem of false positives caused by…
Gaussian graphical models are used throughout the natural sciences, social sciences, and economics to model the statistical relationships between variables of interest in the form of a graph. We here provide a pedagogic introduction to…
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…
Today, several universal digital libraries exist such as Google Books, Project Gutenberg, Internet Archive libraries, which possess texts from general collections, and many other archives are available, concerning more specific subjects. On…
Quantum neural networks are promising for a wide range of applications in the Noisy Intermediate-Scale Quantum era. As such, there is an increasing demand for automatic quantum neural architecture search. We tackle this challenge by…
We describe ExpertSeer, a generic framework for expert recommendation based on the contents of a digital library. Given a query term q, ExpertSeer recommends experts of q by retrieving authors who published relevant papers determined by…
In the age of big data, more and more applications need to query and analyse large volumes of continuously updated data in real-time. In response, cloud-scale storage systems can extend their interface that allows fast lookups on the…
We propose a novel method for neural network quantization that casts the neural architecture search problem as one of hyperparameter search to find non-uniform bit distributions throughout the layers of a CNN. We perform the search assuming…
We describe an architecture and investigate the characteristics of distributed searching in federated digital libraries. We introduce the notion of a query mediator as a digital library service responsible for selecting among available…
We present Digital Collections Explorer, a web-based, open-source exploratory search platform that leverages CLIP (Contrastive Language-Image Pre-training) for enhanced visual discovery of digital collections. Our Digital Collections…
The ensemble Gaussian mixture filter combines the simplicity and power of Gaussian mixture models with the provable convergence and power of particle filters. The quality of the ensemble Gaussian mixture filter heavily depends on the choice…
Devising optimal operating strategies for a compressor station relies on the knowledge of compressor characteristics. As the compressor characteristics change with time and use, it is necessary to provide accurate models of the…
We introduce a Genetic Algorithm (GA) based, open-source project to solve multi-objective optimization problems of materials characterization data analysis including EXAFS, XPS and nanoindentation. The modular design and multiple crossover…
Machine learning tasks over image databases often generate masks that annotate image content (e.g., saliency maps, segmentation maps, depth maps) and enable a variety of applications (e.g., determine if a model is learning spurious…
A large fraction of an XML document typically consists of text data. The XPath query language allows text search via the equal, contains, and starts-with predicates. Such predicates can efficiently be implemented using a compressed…
Bayesian methods in machine learning, such as Gaussian processes, have great advantages com-pared to other techniques. In particular, they provide estimates of the uncertainty associated with a prediction. Extending the Bayesian approach to…