Sep 2026· Zenodo (CERN European Organization for Nuclear Research)
Topology Optimization in Engineering
Abstract
Dynamical Topology Optimization (DTO) provides a framework for optimizing complex network topologies by iteratively refining connections based on emergent properties. This paper introduces a novel algorithm, termed 'Adaptive Topology Evolution', which integrates reinforcement learning and graph theory to achieve automated design of complex networks, particularly in areas such as protein folding and neural networks. The core mechanism leverages a dynamically adjusted topology, guided by a reinforcement learning agent, to maximize functional efficiency and minimize energy dissipation, mimicking natural evolutionary processes. We demonstrate the effectiveness of the algorithm through illustrative examples, showcasing its ability to generate novel and optimized network structures with improved performance characteristics. The potential impact of this approach extends to diverse fields, including drug discovery and materials science, where intricate network designs are crucial for achieving desired functionalities.
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It is demonstrated that linker-free PROTACs can outperform traditional designs, marking a paradigm shift in PROTAC development for targeted protein degradation.
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A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.
