Toward Automated Algorithm Design: A Survey and Practical Guide to Meta-Black-Box-Optimization

In this survey, we introduce Meta-Black-Box-Optimization (MetaBBO) as an emerging avenue within the Evolutionary Computation (EC) community, which incorporates Meta-learning approaches to assist automated algorithm design. Despite the success of MetaBBO, the current literature provides insufficient summaries of its key aspects and lacks practical guidance for implementation. To bridge this gap, we offer a comprehensive review of recent advances in MetaBBO, providing an in-depth examination of its key developments. We begin with a unified definition of the MetaBBO paradigm, followed by a systematic taxonomy of various algorithm design tasks, including algorithm selection, algorithm configuration, solution manipulation, and algorithm generation. Further, we conceptually summarize different learning methodologies behind current MetaBBO works, including reinforcement learning, supervised learning, neuroevolution, and in-context learning with Large Language Models. A comprehensive evaluation of the latest representative MetaBBO methods is then carried out, alongside an experimental analysis of their optimization performance, computational efficiency, and generalization ability. Based on the evaluation results, we meticulously identify a set of core designs that enhance the generalization and learning effectiveness of MetaBBO. Finally, we outline the vision for the field by providing insight into the latest trends and potential future directions. Relevant literature will be continuously collected and updated at https://github.com/GMC-DRL/Awesome-MetaBBO.

Neural Exploratory Landscape Analysis

Recent research in Meta-Black-Box Optimization (MetaBBO) have shown that meta-trained neural networks can effectively guide the design of black-box optimizers, significantly reducing the need for expert tuning and delivering robust performance across complex problem distributions. Despite their success, a paradox remains: MetaBBO still rely on human-crafted Exploratory Landscape Analysis features to inform the meta-level agent about the low-level optimization progress. To address the gap, this paper proposes Neural Exploratory Landscape Analysis (NeurELA), a novel framework that dynamically profiles landscape features through a two-stage, attention-based neural network, executed in an entirely end-to-end fashion. NeurELA is pre-trained over a variety of MetaBBO algorithms using a multi-task neuroevolution strategy. Extensive experiments show that NeurELA achieves consistently superior performance when integrated into different and even unseen MetaBBO tasks and can be efficiently fine-tuned for further performance boost. This advancement marks a pivotal step in making MetaBBO algorithms more autonomous and broadly applicable.

Auto-configuring Exploration-Exploitation Tradeoff in Evolutionary Computation via Deep Reinforcement Learning

Evolutionary computation (EC) algorithms, renowned as powerful black-box optimizers, leverage a group of individuals to cooperatively search for the optimum. The exploration-exploitation tradeoff (EET) plays a crucial role in EC, which, however, has traditionally been governed by manually designed rules. In this paper, we propose a deep reinforcement learning-based framework that autonomously configures and adapts the EET throughout the EC search process. The framework allows different individuals of the population to selectively attend to the global and local exemplars based on the current search state, maximizing the cooperative search outcome. Our proposed framework is characterized by its simplicity, effectiveness, and generalizability, with the potential to enhance numerous existing EC algorithms. To validate its capabilities, we apply our framework to several representative EC algorithms and conduct extensive experiments on the augmented CEC2021 benchmark. The results demonstrate significant improvements in the performance of the backbone algorithms, as well as favorable generalization across diverse problem classes, dimensions, and population sizes. Additionally, we provide an in-depth analysis of the EET issue by interpreting the learned behaviors of EC.

RLEMMO: Evolutionary Multimodal Optimization Assisted By Deep Reinforcement Learning

Solving multimodal optimization problems (MMOP) requires finding all optimal solutions, which is challenging in limited function evaluations. Although existing works strike the balance of exploration and exploitation through hand-crafted adaptive strategies, they require certain expert knowledge, hence inflexible to deal with MMOP with different properties. In this paper, we propose RLEMMO, a Meta-Black-Box Optimization framework, which maintains a population of solutions and incorporates a reinforcement learning agent for flexibly adjusting individual-level searching strategies to match the up-to-date optimization status, hence boosting the search performance on MMOP. Concretely, we encode landscape properties and evolution path information into each individual and then leverage attention networks to advance population information sharing. With a novel reward mechanism that encourages both quality and diversity, RLEMMO can be effectively trained using a policy gradient algorithm. The experimental results on the CEC2013 MMOP benchmark underscore the competitive optimization performance of RLEMMO against several strong baselines.

Deep Reinforcement Learning for Dynamic Algorithm Selection: A Proof-of-Principle Study on Differential Evolution

Evolutionary algorithms, such as Differential Evolution, excel in solving real-parameter optimization challenges. However, the effectiveness of a single algorithm varies across different problem instances, necessitating considerable efforts in algorithm selection or configuration. This paper aims to address the limitation by leveraging the complementary strengths of a group of algorithms and dynamically scheduling them throughout the optimization progress for specific problems. We propose a deep reinforcement learning-based dynamic algorithm selection framework to accomplish this task. Our approach models the dynamic algorithm selection a Markov Decision Process, training an agent in a policy gradient manner to select the most suitable algorithm according to the features observed during the optimization process. To empower the agent with the necessary information, our framework incorporates a thoughtful design of landscape and algorithmic features. Meanwhile, we employ a sophisticated deep neural network model to infer the optimal action, ensuring informed algorithm selections. Additionally, an algorithm context restoration mechanism is embedded to facilitate smooth switching among different algorithms. These mechanisms together enable our framework to seamlessly select and switch algorithms in a dynamic online fashion. Notably, the proposed framework is simple and generic, offering potential improvements across a broad spectrum of evolutionary algorithms. As a proof-of-principle study, we apply this framework to a group of Differential Evolution algorithms. The experimental results showcase the remarkable effectiveness of the proposed framework, not only enhancing the overall optimization performance but also demonstrating favorable generalization ability across different problem classes.

LLaMoCo: Instruction Tuning of Large Language Models for Optimization Code Generation

Recent research explores optimization using large language models (LLMs) by either iteratively seeking next-step solutions from LLMs or directly prompting LLMs for an optimizer. However, these approaches exhibit inherent limitations, including low operational efficiency, high sensitivity to prompt design, and a lack of domain-specific knowledge. We introduce LLaMoCo, the first instruction-tuning framework designed to adapt LLMs for solving optimization problems in a code-to-code manner. Specifically, we establish a comprehensive instruction set containing well-described problem prompts and effective optimization codes. We then develop a novel two-phase learning strategy that incorporates a contrastive learning-based warm-up procedure before the instruction-tuning phase to enhance the convergence behavior during model fine-tuning. The experiment results demonstrate that a CodeGen (350M) model fine-tuned by our LLaMoCo achieves superior optimization performance compared to GPT-4 Turbo and the other competitors across both synthetic and realistic problem sets. The fine-tuned model and the usage instructions are available at https://anonymous.4open.science/r/LLaMoCo-722A.

Symbol: Generating Flexible Black-Box Optimizers through Symbolic Equation Learning

Recent Meta-learning for Black-Box Optimization (MetaBBO) methods harness neural networks to meta-learn configurations of traditional black-box optimizers. Despite their success, they are inevitably restricted by the limitations of predefined hand-crafted optimizers. In this paper, we present \textsc{Symbol}, a novel framework that promotes the automated discovery of black-box optimizers through symbolic equation learning. Specifically, we propose a Symbolic Equation Generator (SEG) that allows closed-form optimization rules to be dynamically generated for specific tasks and optimization steps. Within \textsc{Symbol}, we then develop three distinct strategies based on reinforcement learning, so as to meta-learn the SEG efficiently. Extensive experiments reveal that the optimizers generated by \textsc{Symbol} not only surpass the state-of-the-art BBO and MetaBBO baselines, but also exhibit exceptional zero-shot generalization abilities across entirely unseen tasks with different problem dimensions, population sizes, and optimization horizons. Furthermore, we conduct in-depth analyses of our \textsc{Symbol} framework and the optimization rules that it generates, underscoring its desirable flexibility and interpretability.

MetaBox: A Benchmark Platform for Meta-Black-Box Optimization with Reinforcement Learning

Recently, Meta-Black-Box Optimization with Reinforcement Learning (MetaBBO-RL) has showcased the power of leveraging RL at the meta-level to mitigate manual fine-tuning of low-level black-box optimizers. However, this field is hindered by the lack of a unified benchmark. To fill this gap, we introduce MetaBox, the first benchmark platform expressly tailored for developing and evaluating MetaBBO-RL methods. MetaBox offers a flexible algorithmic template that allows users to effortlessly implement their unique designs within the platform. Moreover, it provides a broad spectrum of over 300 problem instances, collected from synthetic to realistic scenarios, and an extensive library of 19 baseline methods, including both traditional black-box optimizers and recent MetaBBO-RL methods. Besides, MetaBox introduces three standardized performance metrics, enabling a more thorough assessment of the methods. In a bid to illustrate the utility of MetaBox for facilitating rigorous evaluation and in-depth analysis, we carry out a wide-ranging benchmarking study on existing MetaBBO-RL methods. Our MetaBox is open-source and accessible at: https://github.com/GMC-DRL/MetaBox.

Traffic4cast at NeurIPS 2022 -- Predict Dynamics along Graph Edges from Sparse Node Data: Whole City Traffic and ETA from Stationary Vehicle Detectors

The global trends of urbanization and increased personal mobility force us to rethink the way we live and use urban space. The Traffic4cast competition series tackles this problem in a data-driven way, advancing the latest methods in machine learning for modeling complex spatial systems over time. In this edition, our dynamic road graph data combine information from road maps, $10^{12}$ probe data points, and stationary vehicle detectors in three cities over the span of two years. While stationary vehicle detectors are the most accurate way to capture traffic volume, they are only available in few locations. Traffic4cast 2022 explores models that have the ability to generalize loosely related temporal vertex data on just a few nodes to predict dynamic future traffic states on the edges of the entire road graph. In the core challenge, participants are invited to predict the likelihoods of three congestion classes derived from the speed levels in the GPS data for the entire road graph in three cities 15 min into the future. We only provide vehicle count data from spatially sparse stationary vehicle detectors in these three cities as model input for this task. The data are aggregated in 15 min time bins for one hour prior to the prediction time. For the extended challenge, participants are tasked to predict the average travel times on super-segments 15 min into the future - super-segments are longer sequences of road segments in the graph. The competition results provide an important advance in the prediction of complex city-wide traffic states just from publicly available sparse vehicle data and without the need for large amounts of real-time floating vehicle data.

Multi-task Learning for Sparse Traffic Forecasting

Accurate traffic prediction is crucial to improve the performance of intelligent transportation systems. Previous traffic prediction tasks mainly focus on small and non-isolated traffic subsystems, while the Traffic4cast 2022 competition is dedicated to exploring the traffic state dynamics of entire cities. Given one hour of sparse loop count data only, the task is to predict the congestion classes for all road segments and the expected times of arrival along super-segments 15 minutes into the future. The sparsity of loop counter data and highly uncertain real-time traffic conditions make the competition challenging. For this reason, we propose a multi-task learning network that can simultaneously predict the congestion classes and the speed of each road segment. Specifically, we use clustering and neural network methods to learn the dynamic features of loop counter data. Then, we construct a graph with road segments as nodes and capture the spatial dependence between road segments based on a Graph Neural Network. Finally, we learn three measures, namely the congestion class, the speed value and the volume class, simultaneously through a multi-task learning module. For the extended competition, we use the predicted speeds to calculate the expected times of arrival along super-segments. Our method achieved excellent results on the dataset provided by the Traffic4cast Competition 2022, source code is available at https://github.com/OctopusLi/NeurIPS2022-traffic4cast.