Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Optimal Foraging

Optimal Foraging

How animals obtain and eat their food is called foraging behavior. Foraging can include searching for plants and hunting for prey and depends on the species and environment.

Maxwell-Boltzmann Distribution: Problem Solving

Maxwell-Boltzmann Distribution: Problem Solving

Individual molecules in a gas move in random directions, but a gas containing numerous molecules has a predictable distribution of molecular speeds, which is known as the Maxwell-Boltzmann distribution, f(v).
This distribution function f(v) is defined by saying that the expected number N (v1,v2) of particles with speeds between v1 and v2 is given by

Predicting Reaction Outcomes

Predicting Reaction Outcomes

Kinetics describes the rate and path by which a reaction occurs. In contrast, thermodynamics deals with state functions and describes the properties, behavior, and components of a system. It is not concerned with the path taken by the process and cannot address the rate at which a reaction occurs. Although it does provide information about what can happen during a reaction process, it does not describe the detailed steps of what appears on an atomic or a molecular level. On the other hand,...

Predicting Products: Substitution vs. Elimination

Predicting Products: Substitution vs. Elimination

When a nucleophile and an alkyl halide react, nucleophilic substitution and β-elimination reactions compete to generate products.
The following factors can influence the mechanisms competing against each other:

Drug Discovery: Overview

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...

The Availability Heuristic

The Availability Heuristic

A heuristic is a general problem-solving framework (Tversky & Kahneman, 1974). You can think of these as mental shortcuts that are used to solve problems. Different types of heuristics are used in different types of situations, and the impulse to use a heuristic occurs when one of five conditions is met (Pratkanis, 1989):

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

Decoding MnO<sub>2</sub> redox chemistry from mechanistic ambiguity to design principles for aqueous Zn-ion batteries.

Nature communications·2026

Same author

Co<sub>1</sub>/Ru Single-Atom Alloy Catalyst for Sustainable Polypropylene Hydrogenolysis to Long-Chain Liquid Products.

Advanced materials (Deerfield Beach, Fla.)·2026

Same author

Unmasking the intrinsic mechanistic limits of manganese Prussian blue analogues in aqueous Zn-ion batteries.

Chemical science·2026

Same author

Ostwald Ripening of Liquid-Metal-Grown Micropattern-Confined Crystals by Solid-Phase Diffusion.

Nano letters·2026

Same author

Gallium in liquid state shows nuclease-mimicking activity.

Nature communications·2026

Same author

RNA Hairpin Synthesis by RNase-Catalyzed Dynamic Covalent Chemistry.

Chembiochem : a European journal of chemical biology·2026

Same journal

5-Year advances in semisacrificial metal foam-derived materials for energy storage and electrocatalysis.

Nanoscale·2026

Same journal

Application of nanogenerators in oral and respiratory systems: a review.

Nanoscale·2026

Same journal

High-efficiency BCN quantum dots with enhanced carrier kinetics enabled by synergistic control of the atomic ratio and interface engineering.

Nanoscale·2026

Same journal

Fluorescence imaging for liver diseases: probe design strategies and diagnostic applications.

Nanoscale·2026

Same journal

Robust and well-structured graphene oxide membranes crosslinked by phenylboronic acid for efficient heavy metal ion sieving.

Nanoscale·2026

Same journal

Lasing characteristics and stress-tuning effects in GaN beam microcavities.

Nanoscale·2026

See all related articles

Search research articles

Related Experiment Video

Updated: Jul 26, 2025

Author Spotlight: Accelerating Discovery in Microporous Material Chemistry

Author Spotlight: Accelerating Discovery in Microporous Material Chemistry

Published on: October 6, 2023

Bayesian optimisation for efficient material discovery: a mini review.

Yimeng Jin¹, Priyank V Kumar¹

¹School of Chemical Engineering, UNSW Sydney, Kensington, NSW 2052, Australia. priyank.kumar@unsw.edu.au.

|June 20, 2023

Summary

This summary is machine-generated.

Bayesian optimization (BO) accelerates material discovery by efficiently navigating complex search spaces. This review connects algorithmic advancements to material science applications, addressing key challenges in BO for autonomous laboratories.

More Related Videos

Polymer Microarrays for High Throughput Discovery of Biomaterials

Polymer Microarrays for High Throughput Discovery of Biomaterials

Published on: January 25, 2012

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

Published on: July 25, 2013

Related Experiment Videos

Last Updated: Jul 26, 2025

Author Spotlight: Accelerating Discovery in Microporous Material Chemistry

Author Spotlight: Accelerating Discovery in Microporous Material Chemistry

Published on: October 6, 2023

Polymer Microarrays for High Throughput Discovery of Biomaterials

Polymer Microarrays for High Throughput Discovery of Biomaterials

Published on: January 25, 2012

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

Published on: July 25, 2013

Area of Science:

Materials Science
Computer Science
Artificial Intelligence

Background:

Bayesian optimization (BO) is increasingly used for material discovery due to its efficiency.
Existing BO approaches face challenges like high dimensionality, mixed search spaces, multi-objective problems, and multi-fidelity data.
A comprehensive BO framework for material discovery remains an open research area.

Purpose of the Study:

To review the current state of Bayesian optimization in material discovery.
To connect algorithmic advancements in BO with practical material science applications.
To identify and discuss open algorithmic challenges and potential solutions.

Main Methods:

Literature review of Bayesian optimization techniques and their application in material science.
Analysis of challenges in high-dimensional, mixed, multi-objective, and multi-fidelity optimization.
Comparison of various open-source Bayesian optimization packages.
Case studies of three material design problems illustrating BO's utility.

Main Results:

Bayesian optimization offers sample efficiency, flexibility, and versatility for material discovery.
Key challenges in applying BO to material science are identified and discussed.
Recent material applications demonstrate the potential of advanced BO algorithms.
A comparative analysis of open-source BO tools is provided.

Conclusions:

Addressing the identified challenges is crucial for advancing BO in material discovery.
BO-aided autonomous laboratories represent a promising future direction.
Further research is needed to develop comprehensive BO frameworks for complex material design problems.