Abstract Over the past decade, interatomic potentials based on machine learning (ML) techniques have become an indispensable tool in atomic-scale modeling of materials. Trained energies and forces obtained from electronic-structure calculations, they inherit their predictive accuracy, extend greatly length time scales that are accessible to explicit atomistic simulations. Inexpensive prediction...

The question of answering queries over ML predictions has been gaining attention in the database community. This is challenging because finding high quality answers by invoking an oracle such as a human expert or expensive deep neural network model on every single item DB and then applying query, can be prohibitive. We develop novel unified framework for approximate query leveraging proxy to mi...

Robust learning is an important issue in Scientific Machine Learning (SciML). There are several works the literature addressing this topic. However, there increasing demand for methods that can simultaneously consider all different uncertainty components involved SciML model identification. Hence, work proposes a comprehensive methodology evaluation of also considers possible sources uncertaint...

We propose a unified machine learning model (UMLM) for two-class classification, regression and outlier (or novelty) detection via a robust optimization approach. The model embraces various machine learning models such as support vector machine-based and minimax probability machine-based classification and regression models. The unified framework makes it possible to compare and contrast existi...

one of the most important and valuable goal of software development life cycle is software cost estimation or sce. during the recent years, sce has attracted the attention of researchers due to huge amount of software project requests. there have been proposed so many models using heuristic and meta-heuristic algorithms to do machine learning process for sce. cocomo81 is one of the most popular...

In gynecology, the problem of fetus during pregnancy in pregnant women have more interests. literature, several means are used to follow such as cardiotocography measure heart rate, accelerations, fetal movements, and uterine contractions. this proposed study, we use some algorithms classify diseases, confusion matrix specify normal, suspicious pathology using Random Forest, Support Vector Mach...