[HTML][HTML] Artificial intelligence in multi-objective drug design

S Luukkonen, HW van den Maagdenberg… - Current Opinion in …, 2023 - Elsevier
The factors determining a drug's success are manifold, making de novo drug design an
inherently multi-objective optimisation (MOO) problem. With the advent of machine learning …

Seeking multiple solutions: An updated survey on niching methods and their applications

X Li, MG Epitropakis, K Deb… - IEEE Transactions on …, 2016 - ieeexplore.ieee.org
Multimodal optimization (MMO) aiming to locate multiple optimal (or near-optimal) solutions
in a single simulation run has practical relevance to problem solving across many fields …

Dual-surrogate-assisted cooperative particle swarm optimization for expensive multimodal problems

X Ji, Y Zhang, D Gong, X Sun - IEEE Transactions on …, 2021 - ieeexplore.ieee.org
Various real-world applications can be classified as expensive multimodal optimization
problems. When surrogate-assisted evolutionary algorithms (SAEAs) are employed to tackle …

Multisurrogate-assisted multitasking particle swarm optimization for expensive multimodal problems

X Ji, Y Zhang, D Gong, X Sun… - IEEE Transactions on …, 2021 - ieeexplore.ieee.org
Many real-world applications can be formulated as expensive multimodal optimization
problems (EMMOPs). When surrogate-assisted evolutionary algorithms (SAEAs) are …

Multi-objective optimization methods in drug design

CA Nicolaou, N Brown - Drug Discovery Today: Technologies, 2013 - Elsevier
Drug discovery is a challenging multi-objective problem where numerous pharmaceutically
important objectives need to be adequately satisfied for a solution to be found. The problem …

Evolutionary multimodal multiobjective optimization for traveling salesman problems

Y Liu, L Xu, Y Han, X Zeng, GG Yen… - IEEE Transactions on …, 2023 - ieeexplore.ieee.org
Multimodal multiobjective optimization problems (MMOPs) are commonly seen in real-world
applications. Many evolutionary algorithms have been proposed to solve continuous …

A niching indicator-based multi-modal many-objective optimizer

R Tanabe, H Ishibuchi - Swarm and Evolutionary Computation, 2019 - Elsevier
Multi-modal multi-objective optimization is to locate (almost) equivalent Pareto optimal
solutions as many as possible. Some evolutionary algorithms for multi-modal multi-objective …

Multi-modal optimization to identify personalized biomarkers for disease prediction of individual patients with cancer

J Liang, ZW Li, CT Yue, Z Hu, H Cheng… - Briefings in …, 2022 - academic.oup.com
Finding personalized biomarkers for disease prediction of patients with cancer remains a
massive challenge in precision medicine. Most methods focus on one subnetwork or module …

Latent space search based multimodal optimization with personalized edge-network biomarker for multi-purpose early disease prediction

J Liang, ZW Li, ZN Sun, Y Bi, H Cheng… - Briefings in …, 2023 - academic.oup.com
Considering that cancer is resulting from the comutation of several essential genes of
individual patients, researchers have begun to focus on identifying personalized edge …

Modelling diversity of solutions

L Ingmar, MG de la Banda, PJ Stuckey… - Proceedings of the AAAI …, 2020 - aaai.org
For many combinatorial problems, finding a single solution is not enough. This is clearly the
case for multi-objective optimization problems, as they have no single “best solution” and …