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Senthilnath Jayavelu

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Machine Learning Artificial Intelligence Computer Science and Game Theory cond-mat.mtrl-sci Neural and Evolutionary Computing physics.comp-ph

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preprint2026arXiv

RDEx-CASK: Cauchy Mutation, Archive, and Stagnation Kick for RDEx-CSOP

We extend RDEx-CSOP with 3 changes that target stagnation & late-stage variance, plus minor parameter tuning. The second scale factor in the standard branch is sampled independently from a truncated Cauchy. A small feasible-only JADE-style archive (|A|_max = 50) is added & sampled with probability |A|/(|A|+|P|). Per-individual stagnation counter triggers, after 180 no-improvement generations, three local overrides on standard branch: pull toward the global best, lift the archive sampling floor to 0.65, & saturate CR to 0.95 when population success rate is below 0.10. The exploitation biased branch & every other RDEx component are left untouched. On CEC CSOP suite (D=30, 25 runs), RDEx-CASK is competitive with RDEx, UDE-III, & CL-SRDE in feasibility-aware quality & improves time-to-target on most problems.

preprint2022arXiv

DO-GAN: A Double Oracle Framework for Generative Adversarial Networks

In this paper, we propose a new approach to train Generative Adversarial Networks (GANs) where we deploy a double-oracle framework using the generator and discriminator oracles. GAN is essentially a two-player zero-sum game between the generator and the discriminator. Training GANs is challenging as a pure Nash equilibrium may not exist and even finding the mixed Nash equilibrium is difficult as GANs have a large-scale strategy space. In DO-GAN, we extend the double oracle framework to GANs. We first generalize the players' strategies as the trained models of generator and discriminator from the best response oracles. We then compute the meta-strategies using a linear program. For scalability of the framework where multiple generators and discriminator best responses are stored in the memory, we propose two solutions: 1) pruning the weakly-dominated players' strategies to keep the oracles from becoming intractable; 2) applying continual learning to retain the previous knowledge of the networks. We apply our framework to established GAN architectures such as vanilla GAN, Deep Convolutional GAN, Spectral Normalization GAN and Stacked GAN. Finally, we conduct experiments on MNIST, CIFAR-10 and CelebA datasets and show that DO-GAN variants have significant improvements in both subjective qualitative evaluation and quantitative metrics, compared with their respective GAN architectures.

preprint2021arXiv

An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties

Realizing general inverse design could greatly accelerate the discovery of new materials with user-defined properties. However, state-of-the-art generative models tend to be limited to a specific composition or crystal structure. Herein, we present a framework capable of general inverse design (not limited to a given set of elements or crystal structures), featuring a generalized invertible representation that encodes crystals in both real and reciprocal space, and a property-structured latent space from a variational autoencoder (VAE). In three design cases, the framework generates 142 new crystals with user-defined formation energies, bandgap, thermoelectric (TE) power factor, and combinations thereof. These generated crystals, absent in the training database, are validated by first-principles calculations. The success rates (number of first-principles-validated target-satisfying crystals/number of designed crystals) ranges between 7.1% and 38.9%. These results represent a significant step toward property-driven general inverse design using generative models, although practical challenges remain when coupled with experimental synthesis.