Discovering Adaptable Symbolic Algorithms from Scratch

Autonomous robots deployed in the real world will need control policies that rapidly adapt to environmental changes. To this end, we propose AutoRobotics-Zero (ARZ), a method based on AutoML-Zero that discovers zero-shot adaptable policies from scratch. In contrast to neural network adaption policies, where only model parameters are optimized, ARZ can build control algorithms with the full expressive power of a linear register machine. We evolve modular policies that tune their model parameters and alter their inference algorithm on-the-fly to adapt to sudden environmental changes. We demonstrate our method on a realistic simulated quadruped robot, for which we evolve safe control policies that avoid falling when individual limbs suddenly break. This is a challenging task in which two popular neural network baselines fail. Finally, we conduct a detailed analysis of our method on a novel and challenging non-stationary control task dubbed Cataclysmic Cartpole. Results confirm our findings that ARZ is significantly more robust to sudden environmental changes and can build simple, interpretable control policies.

Revisiting Residual Networks for Adversarial Robustness: An Architectural Perspective

Efforts to improve the adversarial robustness of convolutional neural networks have primarily focused on developing more effective adversarial training methods. In contrast, little attention was devoted to analyzing the role of architectural elements (such as topology, depth, and width) on adversarial robustness. This paper seeks to bridge this gap and present a holistic study on the impact of architectural design on adversarial robustness. We focus on residual networks and consider architecture design at the block level, i.e., topology, kernel size, activation, and normalization, as well as at the network scaling level, i.e., depth and width of each block in the network. In both cases, we first derive insights through systematic ablative experiments. Then we design a robust residual block, dubbed RobustResBlock, and a compound scaling rule, dubbed RobustScaling, to distribute depth and width at the desired FLOP count. Finally, we combine RobustResBlock and RobustScaling and present a portfolio of adversarially robust residual networks, RobustResNets, spanning a broad spectrum of model capacities. Experimental validation across multiple datasets and adversarial attacks demonstrate that RobustResNets consistently outperform both the standard WRNs and other existing robust architectures, achieving state-of-the-art AutoAttack robust accuracy of 61.1% without additional data and 63.7% with 500K external data while being $2\times$ more compact in terms of parameters. Code is available at \url{ https://github.com/zhichao-lu/robust-residual-network}

A Survey on Evaluation Metrics for Synthetic Material Micro-Structure Images from Generative Models

The evaluation of synthetic micro-structure images is an emerging problem as machine learning and materials science research have evolved together. Typical state of the art methods in evaluating synthetic images from generative models have relied on the Fr\'echet Inception Distance. However, this and other similar methods, are limited in the materials domain due to both the unique features that characterize physically accurate micro-structures and limited dataset sizes. In this study we evaluate a variety of methods on scanning electron microscope (SEM) images of graphene-reinforced polyurethane foams. The primary objective of this paper is to report our findings with regards to the shortcomings of existing methods so as to encourage the machine learning community to consider enhancements in metrics for assessing quality of synthetic images in the material science domain.

An Interactive Knowledge-based Multi-objective Evolutionary Algorithm Framework for Practical Optimization Problems

Experienced users often have useful knowledge and intuition in solving real-world optimization problems. User knowledge can be formulated as inter-variable relationships to assist an optimization algorithm in finding good solutions faster. Such inter-variable interactions can also be automatically learned from high-performing solutions discovered at intermediate iterations in an optimization run - a process called innovization. These relations, if vetted by the users, can be enforced among newly generated solutions to steer the optimization algorithm towards practically promising regions in the search space. Challenges arise for large-scale problems where the number of such variable relationships may be high. This paper proposes an interactive knowledge-based evolutionary multi-objective optimization (IK-EMO) framework that extracts hidden variable-wise relationships as knowledge from evolving high-performing solutions, shares them with users to receive feedback, and applies them back to the optimization process to improve its effectiveness. The knowledge extraction process uses a systematic and elegant graph analysis method which scales well with number of variables. The working of the proposed IK-EMO is demonstrated on three large-scale real-world engineering design problems. The simplicity and elegance of the proposed knowledge extraction process and achievement of high-performing solutions quickly indicate the power of the proposed framework. The results presented should motivate further such interaction-based optimization studies for their routine use in practice.

Neural Architecture Search as Multiobjective Optimization Benchmarks: Problem Formulation and Performance Assessment

The ongoing advancements in network architecture design have led to remarkable achievements in deep learning across various challenging computer vision tasks. Meanwhile, the development of neural architecture search (NAS) has provided promising approaches to automating the design of network architectures for lower prediction error. Recently, the emerging application scenarios of deep learning have raised higher demands for network architectures considering multiple design criteria: number of parameters/floating-point operations, and inference latency, among others. From an optimization point of view, the NAS tasks involving multiple design criteria are intrinsically multiobjective optimization problems; hence, it is reasonable to adopt evolutionary multiobjective optimization (EMO) algorithms for tackling them. Nonetheless, there is still a clear gap confining the related research along this pathway: on the one hand, there is a lack of a general problem formulation of NAS tasks from an optimization point of view; on the other hand, there are challenges in conducting benchmark assessments of EMO algorithms on NAS tasks. To bridge the gap: (i) we formulate NAS tasks into general multi-objective optimization problems and analyze the complex characteristics from an optimization point of view; (ii) we present an end-to-end pipeline, dubbed $\texttt{EvoXBench}$, to generate benchmark test problems for EMO algorithms to run efficiently -- without the requirement of GPUs or Pytorch/Tensorflow; (iii) we instantiate two test suites comprehensively covering two datasets, seven search spaces, and three hardware devices, involving up to eight objectives. Based on the above, we validate the proposed test suites using six representative EMO algorithms and provide some empirical analyses. The code of $\texttt{EvoXBench}$ is available from $\href{https://github.com/EMI-Group/EvoXBench}{\rm{here}}$.

Optimal Design of Electric Machine with Efficient Handling of Constraints and Surrogate Assistance

Electric machine design optimization is a computationally expensive multi-objective optimization problem. While the objectives require time-consuming finite element analysis, optimization constraints can often be based on mathematical expressions, such as geometric constraints. This article investigates this optimization problem of mixed computationally expensive nature by proposing an optimization method incorporated into a popularly-used evolutionary multi-objective optimization algorithm - NSGA-II. The proposed method exploits the inexpensiveness of geometric constraints to generate feasible designs by using a custom repair operator. The proposed method also addresses the time-consuming objective functions by incorporating surrogate models for predicting machine performance. The article successfully establishes the superiority of the proposed method over the conventional optimization approach. This study clearly demonstrates how a complex engineering design can be optimized for multiple objectives and constraints requiring heterogeneous evaluation times and optimal solutions can be analyzed to select a single preferred solution and importantly harnessed to reveal vital design features common to optimal solutions as design principles.

Variable Functioning and Its Application to Large Scale Steel Frame Design Optimization

To solve complex real-world problems, heuristics and concept-based approaches can be used in order to incorporate information into the problem. In this study, a concept-based approach called variable functioning Fx is introduced to reduce the optimization variables and narrow down the search space. In this method, the relationships among one or more subset of variables are defined with functions using information prior to optimization; thus, instead of modifying the variables in the search process, the function variables are optimized. By using problem structure analysis technique and engineering expert knowledge, the $Fx$ method is used to enhance the steel frame design optimization process as a complex real-world problem. The proposed approach is coupled with particle swarm optimization and differential evolution algorithms and used for three case studies. The algorithms are applied to optimize the case studies by considering the relationships among column cross-section areas. The results show that $Fx$ can significantly improve both the convergence rate and the final design of a frame structure, even if it is only used for seeding.

pysamoo: Surrogate-Assisted Multi-Objective Optimization in Python

Significant effort has been made to solve computationally expensive optimization problems in the past two decades, and various optimization methods incorporating surrogates into optimization have been proposed. However, most optimization toolboxes do not consist of ready-to-run algorithms for computationally expensive problems, especially in combination with other key requirements, such as handling multiple conflicting objectives or constraints. Thus, the lack of appropriate software packages has become a bottleneck for solving real-world applications. The proposed framework, pysamoo, addresses these shortcomings of existing optimization frameworks and provides multiple optimization methods for handling problems involving time-consuming evaluation functions. The framework extends the functionalities of pymoo, a popular and comprehensive toolbox for multi-objective optimization, and incorporates surrogates to support expensive function evaluations. The framework is available under the GNU Affero General Public License (AGPL) and is primarily designed for research purposes. For more information about pysamoo, readers are encouraged to visit: anyoptimization.com/projects/pysamoo.

GPSAF: A Generalized Probabilistic Surrogate-Assisted Framework for Constrained Single- and Multi-objective Optimization

Significant effort has been made to solve computationally expensive optimization problems in the past two decades, and various optimization methods incorporating surrogates into optimization have been proposed. Most research focuses on either exploiting the surrogate by defining a utility optimization problem or customizing an existing optimization method to use one or multiple approximation models. However, only a little attention has been paid to generic concepts applicable to different types of algorithms and optimization problems simultaneously. Thus this paper proposes a generalized probabilistic surrogate-assisted framework (GPSAF), applicable to a broad category of unconstrained and constrained, single- and multi-objective optimization algorithms. The idea is based on a surrogate assisting an existing optimization method. The assistance is based on two distinct phases, one facilitating exploration and another exploiting the surrogates. The exploration and exploitation of surrogates are automatically balanced by performing a probabilistic knockout tournament among different clusters of solutions. A study of multiple well-known population-based optimization algorithms is conducted with and without the proposed surrogate assistance on single- and multi-objective optimization problems with a maximum solution evaluation budget of 300 or less. The results indicate the effectiveness of applying GPSAF to an optimization algorithm and the competitiveness with other surrogate-assisted algorithms.

Analyzing Dominance Move (MIP-DoM) Indicator for Multi- and Many-objective Optimization

Dominance move (DoM) is a binary quality indicator that can be used in multi-objective and many-objective optimization to compare two solution sets obtained from different algorithms. The DoM indicator can differentiate the sets for certain important features, such as convergence, spread, uniformity, and cardinality. The DoM indicator has an intuitive and physical meaning, similar to the $\epsilon$-indicator, and calculates the minimum total move of members of one set needed to weakly dominate each member of the other set. Despite the aforementioned properties, DoM is hard to calculate, particularly in higher dimensions. There is an efficient and exact method to calculate it in a bi-objective case only. This work proposes a novel approach to calculate DoM using a mixed integer programming (MIP) approach, which can handle sets with three or more objectives and is shown to overcome the $\epsilon$-indicator's information loss. Experiments, in the bi-objective space, are done to verify the model's correctness. Furthermore, other experiments, using 3, 5, 10, 15, 20, 25 and 30-objective problems are performed to show how the model behaves in higher-dimensional cases. Algorithms, such as IBEA, MOEA/D, NSGA-III, NSGA-II, and SPEA2 are used to generate the solution sets (however any other algorithms can also be used with the proposed MIP-DoM indicator). Further extensions are discussed to handle certain idiosyncrasies with some solution sets and also to improve the quality indicator and its use for other situations.