Genetic programming (another name for evolutionary systems) creates generations of computer programs "using the principles of Darwinian natural selection and biologically inspired operations. The operations include reproduction, crossover (sexual recombination), mutation, and architecture-altering operations patterned after gene duplication and gene deletion in nature." – Genetic Programming, Inc.
Despite the remarkable progress, they are vulnerable to deliberate attacks, giving rise to concerns about the reliability and trustworthiness of these models in real-world scenarios.
Knowledge distillation (KD) has emerged as an effective technique for compressing models that can enhance the lightweight model. Conventional KD methods propose various designs to allow student model to imitate the teacher better.
Leveraging this flexibility, we implement 47 novel MCBO algorithms and benchmark them against seven existing MCBO solvers and five standard black-box optimization algorithms on ten tasks, conducting over 4000 experiments.
This work explores the challenging problem of molecule design by framing it as a conditional generative modeling task, where target biological properties or desired chemical constraints serve as conditioning variables.