We developed a new method PROTES for black-box optimization, which is based on the probabilistic sampling from a probability density function given in the low-parametric tensor train format. We tested it on complex multidimensional arrays and discretized multivariable functions taken, among others, from real-world applications, including unconstrained binary optimization and optimal control problems, for which the possible number of elements is up to 21000. In numerical experiments, both on analytic model functions and on complex problems, PROTES outperforms popular discrete optimization methods (Particle Swarm Optimization, Covariance Matrix Adaptation, Differential Evolution, and others).

Antibody lead optimization is inherently a multi-objective challenge in drug discovery. Achieving a balance between different drug-like properties is crucial for the development of viable candidates, and this search becomes exponentially challenging as desired properties grow. The ever-growing zoo of sophisticated in silico tools for predicting antibody properties calls for an efficient joint optimization procedure to overcome resource-intensive sequential filtering pipelines. We present BOAT, a versatile Bayesian optimization framework for multi-property antibody engineering. Our `plug-and-play' framework couples uncertainty-aware surrogate modeling with a genetic algorithm to jointly optimize various predicted antibody traits while enabling efficient exploration of sequence space. Through systematic benchmarking against genetic algorithms and newer generative learning approaches, we demonstrate competitive performance with state-of-the-art methods for multi-objective protein optimization. We identify clear regimes where surrogate-driven optimization outperforms expensive generative approaches and establish practical limits imposed by sequence dimensionality and oracle costs.

Population-based learning paradigms, including evolutionary strategies, Population-Based Training (PBT), and recent model-merging methods, combine fast within-model optimisation with slower population-level adaptation. Despite their empirical success, a general mathematical description of the resulting collective training dynamics remains incomplete. We introduce a theoretical framework for neural network training based on two-time-scale population dynamics. We model a population of neural networks as an interacting agent system in which network parameters evolve through fast noisy gradient updates of SGD/Langevin type, while hyperparameters evolve through slower selection--mutation dynamics. We prove the large-population limit for the joint distribution of parameters and hyperparameters and, under strong time-scale separation, derive a selection--mutation equation for the hyperparameter density. For each fixed hyperparameter, the fast parameter dynamics relaxes to a Boltzmann--Gibbs measure, inducing an effective fitness for the slow evolution. The averaged dynamics connects population-based learning with bilevel optimisation and classical replicator--mutator models, yields conditions under which the population mean moves toward the fittest hyperparameter, and clarifies the role of noise and diversity in balancing optimisation and exploration. Numerical experiments illustrate both the large-population regime and the reduced two-time-scale dynamics, and indicate that access to the effective fitness, either in closed form or through population-level estimation, can improve population-level updates.

Neural Information Processing Systems http://nips.cc/

The omnipresence of NP-hard combinatorial optimization problems (COPs) compels domain experts to engage in trial-and-error heuristic design. The long-standing endeavor of design automation has gained new momentum with the rise of large language models (LLMs). This paper introduces Language Hyper-Heuristics (LHHs), an emerging variant of Hyper-Heuristics that leverages LLMs for heuristic generation, featuring minimal manual intervention and open-ended heuristic spaces. To empower LHHs, we present Reflective Evolution (ReEvo), a novel integration of evolutionary search for efficiently exploring the heuristic space, and LLM reflections to provide verbal gradients within the space.

Reinforcement Learning (RL) controllers have demonstrated remarkable performance in complex robot control tasks. However, the presence of reality gap often leads to poor performance when deploying policies trained in simulation directly onto real robots. Previous sim-to-real algorithms like Domain Randomization (DR) requires domain-specific expertise and suffers from issues such as reduced control performance and high training costs. In this work, we introduce Evolutionary Adversarial Simulator Identification (EASI), a novel approach that combines Generative Adversarial Network (GAN) and Evolutionary Strategy (ES) to address sim-to-real challenges. Specifically, we consider the problem of sim-to-real as a search problem, where ES acts as a generator in adversarial competition with a neural network discriminator, aiming to find physical parameter distributions that make the state transitions between simulation and reality as similar as possible. The discriminator serves as the fitness function, guiding the evolution of the physical parameter distributions.

The current methods for estimating the nadir objective vector perform effectivelyonly onspecific MOPs.