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 2 {1000} . 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).

Recently, a new class of machine learning algorithms has emerged, where models and discriminators are generated in a competitive setting. The most prominent example is Generative Adversarial Networks (GANs). In this paper we examine how these algorithms relate to the Turing test, and derive what--from a Turing perspective--can be considered their defining features. Based on these features, we outline directions for generalizing GANs--resulting in the family of algorithms referred to as Turing Learning. One such direction is to allow the discriminators to interact with the processes from which the data samples are obtained, making them "interrogators", as in the Turing test.

Evolution strategies (ES) are a family of black-box optimization algorithms able to train deep neural networks roughly as well as Q-learning and policy gradient methods on challenging deep reinforcement learning (RL) problems, but are much faster (e.g.

Equipping machine learning models with ethical and legal constraints is a serious issue; without this, the future of machine learning is at risk. This paper takes a step forward in this direction and focuses on ensuring machine learning models deliver fair decisions. In legal scholarships, the notion of fairness itself is evolving and multi-faceted. We set an overarching goal to develop a unified machine learning framework that is able to handle any definitions of fairness, their combinations, and also new definitions that might be stipulated in the future. To achieve our goal, we recycle two well-established machine learning techniques, privileged learning and distribution matching, and harmonize them for satisfying multi-faceted fairness definitions.

A recursive strategy is able to efficiently calculate the contributions of particular substring, pre-calculating contributions of the smaller sub-strings contained within the target string. Context-free grammars (CFG) are 4-tuples G = (V, Σ, R, S), consisting of: a set of non-terminal symbols V, a set of terminal symbols Σ (also known as an alphabet), a set of production rules R, a non-terminal starting symbol S from which all strings are generated. Production rules are simple maps permitting the swapping of non-terminals with other non-terminals or terminals. All strings generated by the CFG can be broken down into a (non-unique) tree of production rules with the non-terminal starting symbol S at its head. These are known as the parse trees and are demonstrated in Figure 3 in the main paper.

The efficient exploration of chemical space to design molecules with intended properties enables the accelerated discovery of drugs, materials, and catalysts, and is one of the most important outstanding challenges in chemistry. Encouraged by the recent surge in computer power and artificial intelligence development, many algorithms have been developed to tackle this problem. However, despite the emergence of many new approaches in recent years, comparatively little progress has been made in developing realistic benchmarks that reflect the complexity of molecular design for real-world applications. In this work, we develop a set of practical benchmark tasks relying on physical simulation of molecular systems mimicking real-life molecular design problems for materials, drugs, and chemical reactions. Additionally, we demonstrate the utility and ease of use of our new benchmark set by demonstrating how to compare the performance of several well-established families of algorithms. Surprisingly, we find that model performance can strongly depend on the benchmark domain. We believe that our benchmark suite will help move the field towards more realistic molecular design benchmarks, and move the development of inverse molecular design algorithms closer to designing molecules that solve existing problems in both academia and industry alike.

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. However, these handcrafted KD designs heavily rely on expert knowledge and may be sub-optimal for various teacher-student pairs. In this paper, we present a novel framework, KD-Zero, which utilizes evolutionary search to automatically discover promising distiller from scratch for any teacher-student architectures.

This paper introduces a modular framework for Mixed-variable and Combinatorial Bayesian Optimization (MCBO) to address the lack of systematic benchmarking and standardized evaluation in the field. Current MCBO papers often introduce non-diverse or non-standard benchmarks to evaluate their methods, impeding the proper assessment of different MCBO primitives and their combinations. Additionally, papers introducing a solution for a single MCBO primitive often omit benchmarking against baselines that utilize the same methods for the remaining primitives [1-4]. This omission is primarily due to the significant implementation overhead involved, resulting in a lack of controlled assessments and an inability to showcase the merits of a contribution effectively. To overcome these challenges, our proposed framework enables an effortless combination of Bayesian Optimization components, and provides a diverse set of synthetic and real-world benchmarking tasks. 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. Our findings reveal a superior combination of MCBO primitives outperforming existing approaches and illustrate the significance of model fit and the use of a trust region.

Deep neural networks (DNNs) have demonstrated vulnerabilities to adversarial examples, which raises concerns about their reliability in safety-critical applications. While the majority of existing methods generate adversarial examples by making small modifications to the entire image, recent research has proposed a practical alternative known as adversarial patches. Adversarial patches have shown to be highly effective in causing DNNs to misclassify by distorting a localized area (patch) of the image. However, existing methods often produce clearly visible distortions since they do not consider the visibility of the patch. To address this, we propose a novel method for constructing adversarial patches that approximates the appearance of the area it covers. We achieve this by using a set of semi-transparent, RGB-valued circles, drawing inspiration from the computational art community. We utilize an evolutionary strategy to optimize the properties of each shape, and employ a simulated annealing approach to optimize the patch's location.