This paper investigates the problem of efficient constrained global optimization of hybrid models that are a composition of a known white-box function and an expensive multi-output black-box function subject to noisy observations, which often arises in real-world science and engineering applications. We propose a novel method, Constrained Upper Quantile Bound (CUQB), to solve such problems that directly exploits the composite structure of the objective and constraint functions that we show leads substantially improved sampling efficiency. CUQB is a conceptually simple, deterministic approach that avoid constraint approximations used by previous methods. Although the CUQB acquisition function is not available in closed form, we propose a novel differentiable sample average approximation that enables it to be efficiently maximized. We further derive bounds on the cumulative regret and constraint violation under a non-parametric Bayesian representation of the black-box function. Since these bounds depend sublinearly on the number of iterations under some regularity assumptions, we establis bounds on the convergence rate to the optimal solution of the original constrained problem. In contrast to most existing methods, CUQB further incorporates a simple infeasibility detection scheme, which we prove triggers in a finite number of iterations when the original problem is infeasible (with high probability given the Bayesian model). Numerical experiments on several test problems, including environmental model calibration and real-time optimization of a reactor system, show that CUQB significantly outperforms traditional Bayesian optimization in both constrained and unconstrained cases. Furthermore, compared to other state-of-the-art methods that exploit composite structure, CUQB achieves competitive empirical performance while also providing substantially improved theoretical guarantees.

Reservoir computing (RC), first applied to temporal signal processing, is a recurrent neural network in which neurons are randomly connected. Once initialized, the connection strengths remain unchanged. Such a simple structure turns RC into a non-linear dynamical system that maps low-dimensional inputs into a high-dimensional space. The model's rich dynamics, linear separability, and memory capacity then enable a simple linear readout to generate adequate responses for various applications. RC spans areas far beyond machine learning, since it has been shown that the complex dynamics can be realized in various physical hardware implementations and biological devices. This yields greater flexibility and shorter computation time. Moreover, the neuronal responses triggered by the model's dynamics shed light on understanding brain mechanisms that also exploit similar dynamical processes. While the literature on RC is vast and fragmented, here we conduct a unified review of RC's recent developments from machine learning to physics, biology, and neuroscience. We first review the early RC models, and then survey the state-of-the-art models and their applications. We further introduce studies on modeling the brain's mechanisms by RC. Finally, we offer new perspectives on RC development, including reservoir design, coding frameworks unification, physical RC implementations, and interaction between RC, cognitive neuroscience and evolution.

Many swarm robotics tasks consist of multiple conflicting objectives. This research proposes a multi-objective evolutionary neural network approach to developing controllers for swarms of robots. The swarm robot controllers are trained in a low-fidelity Python simulator and then tested in a high-fidelity simulated environment using Webots. Simulations are then conducted to test the scalability of the evolved multi-objective robot controllers to environments with a larger number of robots. The results presented demonstrate that the proposed approach can effectively control each of the robots. The robot swarm exhibits different behaviours as the weighting for each objective is adjusted. The results also confirm that multi-objective neural network controllers evolved in a low-fidelity simulator can be transferred to high-fidelity simulated environments and that the controllers can scale to environments with a larger number of robots without further retraining needed.

While the theoretical analysis of evolutionary algorithms (EAs) has made significant progress for pseudo-Boolean optimization problems in the last 25 years, only sporadic theoretical results exist on how EAs solve permutation-based problems. To overcome the lack of permutation-based benchmark problems, we propose a general way to transfer the classic pseudo-Boolean benchmarks into benchmarks defined on sets of permutations. We then conduct a rigorous runtime analysis of the permutation-based $(1+1)$ EA proposed by Scharnow, Tinnefeld, and Wegener (2004) on the analogues of the LeadingOnes and Jump benchmarks. The latter shows that, different from bit-strings, it is not only the Hamming distance that determines how difficult it is to mutate a permutation $\sigma$ into another one $\tau$, but also the precise cycle structure of $\sigma \tau^{-1}$. For this reason, we also regard the more symmetric scramble mutation operator. We observe that it not only leads to simpler proofs, but also reduces the runtime on jump functions with odd jump size by a factor of $\Theta(n)$. Finally, we show that a heavy-tailed version of the scramble operator, as in the bit-string case, leads to a speed-up of order $m^{\Theta(m)}$ on jump functions with jump size $m$. A short empirical analysis confirms these findings, but also reveals that small implementation details like the rate of void mutations can make an important difference.

Chemical and biomass processing systems release volatile matter compounds into the environment daily. Catalytic reforming can convert these compounds into valuable fuels, but developing stable and efficient catalysts is challenging. Machine learning can handle complex relationships in big data and optimize reaction conditions, making it an effective solution for addressing the mentioned issues. This study is the first to develop a machine-learning-based research framework for modeling, understanding, and optimizing the catalytic steam reforming of volatile matter compounds. Toluene catalytic steam reforming is used as a case study to show how chemical/textural analyses (e.g., X-ray diffraction analysis) can be used to obtain input features for machine learning models. Literature is used to compile a database covering a variety of catalyst characteristics and reaction conditions. The process is thoroughly analyzed, mechanistically discussed, modeled by six machine learning models, and optimized using the particle swarm optimization algorithm. Ensemble machine learning provides the best prediction performance (R2 > 0.976) for toluene conversion and product distribution. The optimal tar conversion (higher than 77.2%) is obtained at temperatures between 637.44 and 725.62 {\deg}C, with a steam-to-carbon molar ratio of 5.81-7.15 and a catalyst BET surface area 476.03-638.55 m2/g. The feature importance analysis satisfactorily reveals the effects of input descriptors on model prediction. Operating conditions (50.9%) and catalyst properties (49.1%) are equally important in modeling. The developed framework can expedite the search for optimal catalyst characteristics and reaction conditions, not only for catalytic chemical processing but also for related research areas.

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization strategy tailored to the target task. This paper designs a powerful optimization framework to automatically learn the optimization strategies from the target or cheap surrogate task without human intervention. However, current methods are weak for this due to poor representation of optimization strategy. To achieve this, 1) drawing on the mechanism of genetic algorithm, we propose a deep neural network framework called B2Opt, which has a stronger representation of optimization strategies based on survival of the fittest; 2) B2Opt can utilize the cheap surrogate functions of the target task to guide the design of the efficient optimization strategies. Compared to the state-of-the-art BBO baselines, B2Opt can achieve multiple orders of magnitude performance improvement with less function evaluation cost. We validate our proposal on high-dimensional synthetic functions and two real-world applications. We also find that deep B2Opt performs better than shallow ones.

This paper discusses various types of constraints, difficulties and solutions to overcome the challenges regarding university course allocation problem. A hybrid evolutionary algorithm has been defined combining Local Repair Algorithm and Modified Genetic Algorithm to generate the best course assignment. After analyzing the collected dataset, all the necessary constraints were formulated. These constraints manage to cover the aspects needed to be kept in mind while preparing clash free and efficient class schedules for every faculty member. The goal is to generate an optimized solution which will fulfill those constraints while maintaining time efficiency and also reduce the workload of handling this task manually. The proposed algorithm was compared with some base level optimization algorithms to show the better efficiency in terms of accuracy and time.

Symbolic Regression is a powerful data-driven technique that searches for mathematical expressions that explain the relationship between input variables and a target of interest. Due to its efficiency and flexibility, Genetic Programming can be seen as the standard search technique for Symbolic Regression. However, the conventional Genetic Programming algorithm requires storing all data in a central location, which is not always feasible due to growing concerns about data privacy and security. While privacy-preserving research has advanced recently and might offer a solution to this problem, their application to Symbolic Regression remains largely unexplored. Furthermore, the existing work only focuses on the horizontally partitioned setting, whereas the vertically partitioned setting, another popular scenario, has yet to be investigated. Herein, we propose an approach that employs a privacy-preserving technique called Secure Multiparty Computation to enable parties to jointly build Symbolic Regression models in the vertical scenario without revealing private data. Preliminary experimental results indicate that our proposed method delivers comparable performance to the centralized solution while safeguarding data privacy.

There are many different heuristic algorithms for solving combinatorial optimization problems that are commonly described as Nature-Inspired Algorithms (NIAs). Generally, they are inspired by some natural phenomenon, and due to their inherent converging and stochastic nature, they are known to give optimal results when compared to classical approaches. There are a large number of applications of NIAs, perhaps the most popular being route planning problems in robotics - problems that require a sequence of translation and rotation steps from the start to the goal in an optimized manner while avoiding obstacles in the environment. In this chapter, we will first give an overview of Nature-Inspired Algorithms, followed by their classification and common examples. We will then discuss how the NIAs have applied to solve the route planning problem.

Clustering is a fundamental problem in many areas, which aims to partition a given data set into groups based on some distance measure, such that the data points in the same group are similar while that in different groups are dissimilar. Due to its importance and NP-hardness, a lot of methods have been proposed, among which evolutionary algorithms are a class of popular ones. Evolutionary clustering has found many successful applications, but all the results are empirical, lacking theoretical support. This paper fills this gap by proving that the approximation performance of the GSEMO (a simple multi-objective evolutionary algorithm) for solving four formulations of clustering, i.e., $k$-tMM, $k$-center, discrete $k$-median and $k$-means, can be theoretically guaranteed. Furthermore, we consider clustering under fairness, which tries to avoid algorithmic bias, and has recently been an important research topic in machine learning. We prove that for discrete $k$-median clustering under individual fairness, the approximation performance of the GSEMO can be theoretically guaranteed with respect to both the objective function and the fairness constraint.