Autonomous efficient experiment design for materials discovery with Bayesian model averaging

Optimal Bayesian Transfer Learning

(2018) Alireza Karbalayghareh et al.   IEEE TRANSACTIONS ON SIGNAL PROCESSING

Intrinsically Bayesian robust Karhunen-Loève compression

(2018) Roozbeh Dehghannasiri et al.   SIGNAL PROCESSING

Bayesian-Driven First-Principles Calculations for Accelerating Exploration of Fast Ion Conductors for Rechargeable Battery Application

(2018) Randy Jalem et al.   Scientific Reports

Multi-objective Optimization for Materials Discovery via Adaptive Design

(2018) Abhijith M. Gopakumar et al.   Scientific Reports

Constructing Pathway-based Priors Within a Gaussian Mixture Model for Bayesian Regression and Classification

(2017) Shahin Boluki et al.   IEEE-ACM Transactions on Computational Biology and Bioinformatics

BNP-Seq: Bayesian Nonparametric Differential Expression Analysis of Sequencing Count Data

(2017) Siamak Zamani Dadaneh et al.   JOURNAL OF THE AMERICAN STATISTICAL ASSOCIATION

Designing Nanostructures for Phonon Transport via Bayesian Optimization

(2017) Shenghong Ju et al.   Physical Review X

Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies

(2017) M. L. Green et al.   Applied Physics Reviews

Effect of ternary additions to structural properties of NiTi alloys

(2016) Navdeep Singh et al.   COMPUTATIONAL MATERIALS SCIENCE

Bayesian Optimization in a Billion Dimensions via Random Embeddings

(2016) Ziyu Wang et al.   JOURNAL OF ARTIFICIAL INTELLIGENCE RESEARCH

Determination of electrons per atom ratio for transition metal compounds studied by FLAPW-Fourier calculations

(2016) U. Mizutani et al.   PHILOSOPHICAL MAGAZINE

Taking the Human Out of the Loop: A Review of Bayesian Optimization

(2016) Bobak Shahriari et al.   PROCEEDINGS OF THE IEEE

Accelerated search for materials with targeted properties by adaptive design

(2016) Dezhen Xue et al.   Nature Communications

Autonomy in materials research: a case study in carbon nanotube growth

(2016) Pavel Nikolaev et al.   npj Computational Materials

Adaptive Strategies for Materials Design using Uncertainties

(2016) Prasanna V. Balachandran et al.   Scientific Reports

Materials Data Science: Current Status and Future Outlook

(2015) Surya R. Kalidindi et al.   Annual Review of Materials Research

Optimal Experimental Design for Gene Regulatory Networks in the Presence of Uncertainty

(2015) Roozbeh Dehghannasiri et al.   IEEE-ACM Transactions on Computational Biology and Bioinformatics

The Role of Valence Electron Concentration in Tuning the Structure, Stability, and Electronic Properties of Mo6S9–xIx Nanowires

(2015) J. Karthikeyan et al.   Journal of Physical Chemistry C

Informatics derived materials databases for multifunctional properties

(2015) Scott Broderick et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Generating Information-Rich High-Throughput Experimental Materials Genomes using Functional Clustering via Multitree Genetic Programming and Information Theory

(2015) Santosh K. Suram et al.   ACS Combinatorial Science

A genomic approach to the stability, elastic, and electronic properties of the MAX phases

(2014) Sitaram Aryal et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids

(2014) Atsuto Seko et al.   PHYSICAL REVIEW B

Quantifying the Objective Cost of Uncertainty in Complex Dynamical Systems

(2013) Byung-Jun Yoon et al.   IEEE TRANSACTIONS ON SIGNAL PROCESSING

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms

(2013) Koji Fujimura et al.   Advanced Energy Materials

Elastic and Mechanical Properties of the MAX Phases

(2011) Michel W. Barsoum et al.   Annual Review of Materials Research

Progress in research and development on MAX phases: a family of layered ternary compounds

(2011) Z M Sun   INTERNATIONAL MATERIALS REVIEWS

Ab-initio aprroach to the electronic, structural, elastic, and finite-temperature thermodynamic properties of Ti2AX (A = Al or Ga and X = C or N)

(2011) Thien Duong et al.   JOURNAL OF APPLIED PHYSICS

Effect of valence electron concentration on stability of fcc or bcc phase in high entropy alloys

(2011) Sheng Guo et al.   JOURNAL OF APPLIED PHYSICS

Combinatorial and High-Throughput Screening of Materials Libraries: Review of State of the Art

(2011) Radislav Potyrailo et al.   ACS Combinatorial Science

Performance of feature-selection methods in the classification of high-dimension data

(2008) Jianping Hua et al.   PATTERN RECOGNITION

A Knowledge-Gradient Policy for Sequential Information Collection

(2008) Peter I. Frazier et al.   SIAM JOURNAL ON CONTROL AND OPTIMIZATION