In recent years, Evolutionary Strategies were actively explored in robotic tasks for policy search as they provide a simpler alternative to reinforcement learning algorithms. However, this class of algorithms is often claimed to be extremely sample-inefficient. On the other hand, there is a growing interest in Differentiable Robot Simulators (DRS) as they potentially can find successful policies with only a handful of trajectories. But the resulting gradient is not always useful for the first-order optimization. In this work, we demonstrate how DRS gradient can be used in conjunction with Evolutionary Strategies. Preliminary results suggest that this combination can reduce sample complexity of Evolutionary Strategies by 3x-5x times in both simulation and the real world.

Black-box optimization formulations for biological sequence design have drawn recent attention due to their promising potential impact on the pharmaceutical industry. In this work, we propose to unify two seemingly distinct worlds: likelihood-free inference and black-box sequence design, under one probabilistic framework. In tandem, we provide a recipe for constructing various sequence design methods based on this framework. We show how previous drug discovery approaches can be "reinvented" in our framework, and further propose new probabilistic sequence design algorithms. Extensive experiments illustrate the benefits of the proposed methodology.

Particle swarm optimization (PSO) is one of the bio-inspired algorithms and it is a simple one to search for an optimal solution in the solution space. It is different from other optimization algorithms in such a way that only the objective function is needed and it is not dependent on the gradient or any differential form of the objective. It also has very few hyperparameters. In this tutorial, you will learn the rationale of PSO and its algorithm with an example. Particle Swarm Optimization was proposed by Kennedy and Eberhart in 1995.

A genetic programming (GP) variant called traceless genetic programming (TGP) is proposed in this paper. TGP is a hybrid method combining a technique for building individuals and a technique for representing individuals. The main difference between TGP and other GP techniques is that TGP does not explicitly store the evolved computer programs. Two genetic operators are used in conjunction with TGP: crossover and insertion. TGP is applied for evolving digital circuits for the even-parity problem. Numerical experiments show that TGP outperforms standard GP with several orders of magnitude.

Francis Bacon popularized the idea that science is based on a process of induction by which repeated observations are, in some unspecified way, generalized to theories based on the assumption that the future resembles the past. This idea was criticized by Hume and others as untenable leading to the famous problem of induction. It wasn't until the work of Karl Popper that this problem was solved, by demonstrating that induction is not the basis for science and that the development of scientific knowledge is instead based on the same principles as biological evolution. Today, machine learning is also taught as being rooted in induction from big data. Solomonoff induction implemented in an idealized Bayesian agent (Hutter's AIXI) is widely discussed and touted as a framework for understanding AI algorithms, even though real-world attempts to implement something like AIXI immediately encounter fatal problems. In this paper, we contrast frameworks based on induction with Donald T. Campbell's universal Darwinism. We show that most AI algorithms in use today can be understood as using an evolutionary trial and error process searching over a solution space. In this work we argue that a universal Darwinian framework provides a better foundation for understanding AI systems. Moreover, at a more meta level the process of development of all AI algorithms can be understood under the framework of universal Darwinism.

AI-assisted molecular optimization is a very active research field as it is expected to provide the next-generation drugs and molecular materials. An important difficulty is that the properties to be optimized rely on costly evaluations. Machine learning methods are investigated with success to predict these properties, but show generalization issues on less known areas of the chemical space. We propose here a surrogate-based black box optimization method, to tackle jointly the optimization and machine learning problems. It consists in optimizing the expected improvement of the surrogate of a molecular property using an evolutionary algorithm. The surrogate is defined as a Gaussian Process Regression (GPR) model, learned on a relevant area of the search space with respect to the property to be optimized. We show that our approach can successfully optimize a costly property of interest much faster than a purely metaheuristic approach.

Automatic Programming is one of the most important areas of computer science research today. Hardware speed and capability have increased exponentially, but the software is years behind. The demand for software has also increased significantly, but it is still written in old fashion: by using humans. There are multiple problems when the work is done by humans: cost, time, quality. It is costly to pay humans, it is hard to keep them satisfied for a long time, it takes a lot of time to teach and train them and the quality of their output is in most cases low (in software, mostly due to bugs). The real advances in human civilization appeared during the industrial revolutions. Before the first revolution, most people worked in agriculture. Today, very few percent of people work in this field. A similar revolution must appear in the computer programming field. Otherwise, we will have so many people working in this field as we had in the past working in agriculture. How do people know how to write computer programs? Very simple: by learning. Can we do the same for software? Can we put the software to learn how to write software? It seems that is possible (to some degree) and the term is called Machine Learning. It was first coined in 1959 by the first person who made a computer perform a serious learning task, namely, Arthur Samuel. However, things are not so easy as in humans (well, truth to be said - for some humans it is impossible to learn how to write software). So far we do not have software that can learn perfectly to write software. We have some particular cases where some programs do better than humans, but the examples are sporadic at best. Learning from experience is difficult for computer programs. Instead of trying to simulate how humans teach humans how to write computer programs, we can simulate nature.

As the acquisition cost of the graphics processing unit (GPU) has decreased, personal computers (PC) can handle optimization problems nowadays. In optimization computing, intelligent swarm algorithms (SIAs) method is suitable for parallelization. However, a GPU-based Simplified Swarm Optimization Algorithm has never been proposed. Accordingly, this paper proposed Parallel Simplified Swarm Optimization (PSSO) based on the CUDA platform considering computational ability and versatility. In PSSO, the theoretical value of time complexity of fitness function is O (tNm). There are t iterations and N fitness functions, each of which required pair comparisons m times. pBests and gBest have the resource preemption when updating in previous studies. As the experiment results showed, the time complexity has successfully reduced by an order of magnitude of N, and the problem of resource preemption was avoided entirely.

Optimization of discrete structures aims at generating a new structure with the better property given an existing one, which is a fundamental problem in machine learning. Different from the continuous optimization, the realistic applications of discrete optimization (e.g., text generation) are very challenging due to the complex and long-range constraints, including both syntax and semantics, in discrete structures. In this work, we present SAGS, a novel Simulated Annealing framework for Graph and Sequence optimization. The key idea is to integrate powerful neural networks into metaheuristics (e.g., simulated annealing, SA) to restrict the search space in discrete optimization. We start by defining a sophisticated objective function, involving the property of interest and pre-defined constraints (e.g., grammar validity). SAGS searches from the discrete space towards this objective by performing a sequence of local edits, where deep generative neural networks propose the editing content and thus can control the quality of editing. We evaluate SAGS on paraphrase generation and molecule generation for sequence optimization and graph optimization, respectively. Extensive results show that our approach achieves state-of-the-art performance compared with existing paraphrase generation methods in terms of both automatic and human evaluations. Further, SAGS also significantly outperforms all the previous methods in molecule generation.

Multi Expression Programming (MEP) is a Genetic Programming variant that uses a linear representation of chromosomes. MEP individuals are strings of genes encoding complex computer programs. When MEP individuals encode expressions, their representation is similar to the way in which compilers translate $C$ or $Pascal$ expressions into machine code. A unique MEP feature is the ability to store multiple solutions of a problem in a single chromosome. Usually, the best solution is chosen for fitness assignment. When solving symbolic regression or classification problems (or any other problems for which the training set is known before the problem is solved) MEP has the same complexity as other techniques storing a single solution in a chromosome (such as GP, CGP, GEP or GE). Evaluation of the expressions encoded into an MEP individual can be performed by a single parsing of the chromosome. Offspring obtained by crossover and mutation is always syntactically correct MEP individuals (computer programs). Thus, no extra processing for repairing newly obtained individuals is needed.