Materials Science Optimization Benchmark Dataset for High-dimensional, Multi-objective, Multi-fidelity Optimization of CrabNet Hyperparameters - Baird, Sterling G.; Parikh, Jeet N.; Sparks, Taylor D. (ChemRxiv, 2023)
Keywords: Accuracy; Benchmarks; Chemistry; Datasets; Energy gap; Materials Science; Multiple objective analysis; Optimization; Random noise; Run time (computers); Simulation; Task complexity; formulation optimization; Bayesian optimization; adaptive design; PseudoCrab