ArticleiScience2021
Bayesian optimization for goal-oriented multi-objective inverse material design.
Article in iScience, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
7 citing papers in PubMed.
- Article
- Autonomous 'self-driving' laboratories: a review of technology and policy implications.Royal Society open science · 2025Review
- Machine Learning-Aided Inverse Design and Discovery of Novel Polymeric Materials for Membrane Separation.Environmental science & technology · 2025Review
- Investigation and application of data balancing and combined discriminant model in rock burst severity prediction.Scientific reports · 2024Article
- Enhancing the Search Performance of Bayesian Optimization by Creating Different Descriptor Datasets Using Density Functional Theory.ACS omega · 2023Article
- A Comprehensive and Versatile Multimodal Deep-Learning Approach for Predicting Diverse Properties of Advanced Materials.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2023Article
- Computer-aided multi-objective optimization in small molecule discovery.Patterns (New York, N.Y.) · 2023Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Bayesian optimization (BO) can accelerate material design requiring time-consuming experiments. However, although most material designs require tuning of multiple properties, the efficiency of multi-objective (MO) BO in time-consuming experimental material design remains unclear, due to the complexity of handling multiple objectives. This study introduces MO BO method that efficiently achieves predefined goals and shows that by focusing on achieving the goals, BO can efficiently accelerate realistic MO design problems with small efforts. Benchmarks showed that the proposed BO method dramatically reduced the number of experiments needed to achieve goals relative to a baseline method. Virtual MO inverse design experiments with realistic material design problems were also performed, during which the proposed method could achieve goals within only around ten experiments in average and showed over 1000-fold acceleration relative to the random sampling for the most difficult case. The introduction of goal-oriented BO will precede real-world application of BO.
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.