Academic Articles & Research Papers

Deep Learning in Chemistry

Machine learning enables computers to address problems by learning from data. Deep learning is a type of machine learning that uses a hierarchical recombination of features to extract pertinent information and then learn the patterns repres...

CViewer: a Java-based statistical framework for integration of shotgun metagenomics with other omics datasets

Abstract Background Shotgun metagenomics for microbial community survey recovers enormous amount of information for microbial genomes that include their abundances, taxonomic, and phylogenetic information, as well as their genomic makeup, t...

GAUSSIAN PROCESSES FOR MACHINE LEARNING

Gaussian processes (GPs) are natural generalisations of multivariate Gaussian random variables to infinite (countably or continuous) index sets. GPs have been applied in a large number of fields to a diverse range of ends, and very many dee...

Gut Microbiota and Targeted Biomarkers Analysis in Patients With Cognitive Impairment

Gut microbial alteration is closely associated with brain disorders including cognitive impairment (CI). Gut microbes have the potential to predicate the development of diseases. However, the gut microbial markers for CI remain to be elucid...

Opportunities and Challenges for Machine Learning in Materials Science

Advances in machine learning have impacted myriad areas of materials science, such as the discovery of novel materials and the improvement of molecular simulations, with likely many more important developments to come. Given the rapid chang...

Proceedings of the 25th international conference on Machine learning

This volume contains the papers accepted to the 25th International Conference on Machine Learning (ICML 2008). ICML is the annual conference of the International Machine Learning Society (IMLS), and provides a venue for the presentation and...

Quantum Chemistry in the Age of Machine Learning

As the quantum chemistry (QC) community embraces machine learning (ML), the number of new methods and applications based on the combination of QC and ML is surging. In this Perspective, a view of the current state of affairs in this new and...

Neural Networks for Machine Learning

In order for a digital neocortex to learn a new skill, it will still require many iterations of education, just as a biological neocortex does, but once a single neocortex somewhere and at some time learns something, it can share that knowl...

MATCHA, a novel regional hydroclimate-chemical reanalysis: System description and evaluation

We present MATCHA (Model for Atmospheric Transport and Chemistry in Asia), a 17-year (2003–2019) regional hydroclimate-chemical reanalysis for Asia (58–140° E, 4– 40° N) at 12 km resolution. MATCHA couples the Weather Research and Forecasti...

Machine Learning in Enzyme Engineering

Abstract Enzyme engineering plays a central role in developing efficient biocatalysts for biotechnology, biomedicine, and life sciences. Apart from classical rational design and directed evolution approaches, machine learning methods have b...

A Topical Review of Graph Embedding in Graph Neural Networks

Graph embeddings map graph-structured data into vector spaces for machine learning tasks. In Graph Neural Networks (GNNs), these embeddings are computed through message passing and support tasks such as node classification, link prediction ...

Using generalized random forests to characterize vulnerability to adverse health outcomes following wildfire smoke exposure in California

Background: As the health burden attributable to wildfire activity increases under climate change, it is crucial to determine which subgroups face heightened vulnerability to wildfire smoke. Marginalized communities may experience dispropor...

Advancing Biosensors with Machine Learning

Chemometrics play a critical role in biosensors-based detection, analysis, and diagnosis. Nowadays, as a branch of artificial intelligence (AI), machine learning (ML) have achieved impressive advances. However, novel advanced ML methods, es...

Community-centric modeling of citation dynamics explains collective citation patterns across different knowledge systems.

Operational Digital Shadow for Onshore Wind Energy Systems

Accurate, uncertainty-aware estimation of instantaneous wind turbine output is a prerequisite for integrating onshore assets into low-emission energy systems, where operational monitoring, energy-performance verification, and cooperative as...

Using Soft Voting Classifier of Machine Learning Algorithms for Earthquake Prediction

Earthquakes are among the most dangerous natural disasters that can cause major losses to buildings and threaten human lives. The research community is very interested in the topic of earthquakes because they occur suddenly and predicting t...

Machine learning in automated text categorization

The automated categorization (or classification) of texts into predefined categories has witnessed a booming interest in the last 10 years, due to the increased availability of documents in digital form and the ensuing need to organize them...

Automatic Differentiation in Machine Learning: a Survey

Derivatives, mostly in the form of gradients and Hessians, are ubiquitous in machine learning. Automatic differentiation (AD) is a technique for calculating derivatives of numeric functions expressed as computer programs efficiently and acc...

Air pollution is associated with a distinct pathogen spectrum in community-acquired pneumonia: a prospective multicentre cohort study.

An Introduction to Machine Learning

In the last few years, machine learning (ML) and artificial intelligence have seen a new wave of publicity fueled by the huge and ever-increasing amount of data and computational power as well as the discovery of improved learning algorithm...