13 papers · ranked by Valyu relevance
Anastasia Drozdova, Ekaterina Trofimova, Polina Guseva, Anna Scherbakova + 2 more
The use of program code as a data source is increasingly expanding among data scientists. The purpose of the usage varies from the semantic classification of code to the automatic generation of programs. However, the machine learning model application is somewhat limited without annotating the code snippets. To address…
Valeriy Berezovskiy, Anastasia Gorodilova, Ekaterina Trofimova, Andrey Ustyuzhanin + 1 more
'Andrey Ustyuzhanin' 'Syed Hassan Shah'] Program code has recently become a valuable active data source for training various data science models, from code classification to controlled code synthesis. Annotating code snippets play an essential role in such tasks. This article presents a novel approach that leverages…
Rana Sandouka, Hamoud Aljamaan, Stephen Piccolo
Code smells are poor code design or implementation that affect the code maintenance process and reduce the software quality. Therefore, code smell detection is important in software building. Recent studies utilized machine learning algorithms for code smell detection. However, most of these studies focused on code…
Fabiano Pecorelli, Savanna Lujan, Valentina Lenarduzzi, Fabio Palomba + 1 more
Code smells are poor implementation choices that developers apply while evolving source code and that affect program maintainability. Multiple automated code smell detectors have been proposed: while most of them relied on heuristics applied over software metrics, a recent trend concerns the definition of machine…
Authors not listed
Accurate prediction of molecular properties is essential for computational design in many areas of chemistry. Deep learning has been used in these prediction tasks for a wide variety of molecular properties, and the availability of user-friendly, open-source software implementing such architectures has democratized…
Hamoud Aljamaan, Muhammad Aleem
Code smells refer to poor design and implementation choices by software engineers that might affect the overall software quality. Code smells detection using machine learning models has become a popular area to build effective models that are capable of detecting different code smells in multiple programming languages.…
Pieter Floris Jacobs, Robert Pollice
Scientists across domains are often challenged to master domain-specific languages (DSLs) for their research, which are merely a means to an end but are pervasive in fields like computational chemistry. Automated code generation promises to overcome this barrier, allowing researchers to focus on their core expertise.…
Esben Bjerrum, Tobias Rastemo, Ross Irwin, Christos Kannas + 1 more
Recent years have seen a large interest in using the Simplified Molecular Input Line Entry System (SMILES) chemical language as input for deep learning architectures solving chemical tasks. Many successful applications have been demonstrated within de novo molecular design, quantitative structure-activity relationship…
Rıza Özçelik, Laura van Weesep, Sarah de Ruiter, Francesca Grisoni
In this work, we introduce peptidy -- a lightweight Python library that facilitates converting peptides (expressed as aminoacid sequences) to numerical representations suited to machine learning. peptidy is free from external dependencies, integrates seamlessly into modern Python environments, and supports a range of…
Muhammad Hanzla, Abdul Rehman Shinwari
Machine Learning (ML) can be defined as a class of Artificial Intelligence for automated data analysis, which is capable of detecting patterns in data. The extracted patterns can be used to predict un-known data or to assist in decision-making processes under uncertainty. Recent advances in experimental and…
Authors not listed
Recent advances in machine learning force fields (MLFF) have significantly extended the reach of atomistic simulations. Continuous progress in this field requires reliable reference datasets, accurate MLFF architectures, and efficient active learning strategies to enable robust modeling of complex molecular and…
Anubhav Jain
The number of studies that apply machine learning (ML) to materials science has been growing at a rate of approximately 1.67 times per year over the past decade. In this review, I examine this growth in various contexts. First, I present an analysis of the most commonly used tools (software, databases, materials…
Yannick Ureel, Maarten R. Dobbelaere, Yi Ouyang, Kevin De Ras + 3 more
By combining machine learning with design of experiments, so-called active machine learning, more efficient and cheaper research can be conducted. Machine learning algorithms are more flexible, and are better at investigating the processes spanning all length scales of chemical engineering. While the active machine…