Multi-Constrained Evolutionary Molecular Design Framework: An Interpretable Drug Design Method Combining Rule-Based Evolution and Molecular Crossover 1. The study introduces MCEMOL, a novel framework for molecular optimization that integrates rule-based evolution with molecular crossover, offering an interpretable and efficient approach to drug design. Unlike traditional deep learning methods, MCEMOL requires minimal computational resources and evolves from a small number of starting molecules. 2. MCEMOL employs a dual-layer evolutionary strategy, optimizing transformation rules at the rule level while applying crossover and mutation to molecular structures. This dual approach ensures high molecular validity, diversity, and drug-likeness compliance, achieving 100% validity in generated molecules. 3. The framework incorporates a comprehensive chemical constraint system and message-passing neural networks to guide molecular optimization. It balances interpretability with generation performance, providing transparent design pathways through its evolutionary mechanism. 4. MCEMOL demonstrates strong performance in symmetry constraints, pharmacophore optimization, and stereochemical integrity. It delivers dual outputs: interpretable transformation rules that researchers can understand and trust, and a high-quality molecular library ready for practical applications. 5. Experimental results show that MCEMOL outperforms existing methods in terms of novelty, diversity, and drug-likeness while maintaining high interpretability. The framework is computationally efficient, making it accessible for resource-limited research settings. 📜Paper: arxiv.org/abs/2601.10110v1 #MolecularDesign #DrugDiscovery #EvolutionaryAlgorithm #InterpretableAI #ComputationalBiology

Just released version 9.0.0 of the #Jenetics #Java library. It now requires Java 25 to compile and run. #GeneticAlgorithm #EvolutionaryAlgorithm #GrammaticalEvolution #GeneticProgramming #MultiobjectiveOptimization #MOEA github.com/jenetics/jenetics…

🧬 Sakana AI slashes training costs with an evolution algorithm ⚡🤖 • Merges multiple models without retraining • Optimizes via split points mixing ratios • Delivers lean, specialized enterprise AI solutions #AI #MachineLearning #EvolutionaryAlgorithm #NewTalics

🔥 Read our Paper 📚 Evolutionary Algorithm to Optimize Process Parameters of Al/Steel Magnetic Pulse Welding 🔗 mdpi.com/2076-3417/13/23/128… 👨‍🔬 by Jiyeon Shim et al. #magneticpulsewelding #evolutionaryalgorithm

Just released version 8.2.0 of the #Jenetics #Java library. #GeneticAlgorithm #EvolutionaryAlgorithm #GrammaticalEvolution #GeneticProgramming #MultiobjectiveOptimization #MOEA github.com/jenetics/jenetics…

Paper Sharing 😉 Mapping pareto fronts for efficient multi-objective materials discovery From Prof. Kedar Hippalgaonkar's group from Nanyang Technological University oaepublish.com/articles/jmi.… #BayesianOptimization, #EvolutionaryAlgorithm, #MaterialsScience

Just released version 8.1.0 of the #Jenetics #Java library. #GeneticAlgorithm #EvolutionaryAlgorithm #GrammaticalEvolution #GeneticProgramming #MultiobjectiveOptimization #MOEA github.com/jenetics/jenetics…

In our most recent work, we focused on the cost of #LLM-based #CodeGeneration. We proposed an #EvolutionaryAlgorithm for #PromptEngineering (EPiC) that not only improves the SOTA but with lower cost! You can find the paper here: arxiv.org/pdf/2408.11198v1

AutoFE: Revolutionizing Machine Learning Performance through Automated Feature Engineering #AI #AItechnology #artificialintelligence #AutoFE #automatedsystem #Engineering #evolutionaryalgorithm #Featureengineering #interpretablefeatures #llm multiplatform.ai/autofe-revo…

#wordoftheday EVOLUTIONARY ALGORITHM - N. (computing) a computer program that is designed to evolve and improve in response to input. ow.ly/ksKg50KHMI4 #collinsdictionary #words #vocabulary #language #wordoftheday #evolutionaryalgorithm

💡New #ToGSpotlight presents MAP-Elites algorithm that guides the evolutionary process of procedural content generation in an intuitive way and learns from human user will feedback: ieeexplore.ieee.org/document… #evolutionaryalgorithm #AI #ML #gamedev

See today's announcement from Switzerland-based #AI vendor @NNAISENSE, which is formally releasing its #EvoTorch open-source #evolutionaryalgorithm technology. #industrialautomation venturebeat.com/ai/nnaisense…

See today's announcement from Switzerland-based #AI vendor @NNAISENSE, which is formally releasing its #EvoTorch open-source #evolutionaryalgorithm technology. #industrialautomation venturebeat.com/ai/nnaisense…

Read #NewPaper "GaSubtle: A New Genetic Algorithm for Generating Subtle Higher-Order Mutants" from Dr. Fadi Wedyan, Mr. Abdullah Al-Shishani and Prof. Dr.Yaser Jararweh. See more details at: mdpi.com/2078-2489/13/7/327 #Softwaretesting #EvolutionaryAlgorithm

Hi all!! find out about our project 🥰 Generating #NFTs for virtual architecture ready for #metaverse using our #EvolutionaryAlgorithm youtu.be/kSHV7NnWKSg

My @GeccoConf poster. ♢ Binary and Multinomial Classification through Evolutionary Symbolic Regression paper: drive.google.com/file/d/1SC0… #symbolicregression #MachineLearning #evolutionaryalgorithm

Human Activity Discovery with Automatic Multi-objective Particle Swarm Optimization Clustering with Gaussian Mutation and Game Theory #TechRxiv #unsupervisedlearning #clustering #multiobjectives #evolutionaryalgorithm #gametheory #dimensionreduction techrxiv.org/articles/prepri…

New @GeccoConf paper: Evolution of Activation Functions for Deep Learning-Based Image Classification drive.google.com/file/d/1LIT… #EvolutionaryAlgorithm #Coevolution #DeepLearning #NeuralNetwork #ImageClassification #ImageProcessing #GeneticAlgorithm

Proud to release version 0.1 of EC-KitY: Evolutionary Computation Tool Kit in Python eckity.org #python #sklearn #scikitlearn #geneticprogramming #geneticalgorithm #evolutionaryalgorithm #evolutionarycomputation #machinelearning #symbolicregression #regression

Genetic algorithm can be the interesting AI we need for many problems where learning may not be enough. GA is the creative side of AI full of surprises!✨ #AI #MachineLearning #evolutionaryAlgorithm #geneticAlgorithm