Evolutionary Neural Architecture Search with Dual Contrastive Learning

Evolutionary Neural Architecture Search (ENAS) has gained attention for automatically designing neural network architectures. Recent studies use a neural predictor to guide the process, but the high computational costs of gathering training data -- since each label requires fully training an architecture -- make achieving a high-precision predictor with { limited compute budget (i.e., a capped number of fully trained architecture-label pairs)} crucial for ENAS success. This paper introduces ENAS with Dual Contrastive Learning (DCL-ENAS), a novel method that employs two stages of contrastive learning to train the neural predictor. In the first stage, contrastive self-supervised learning is used to learn meaningful representations from neural architectures without requiring labels. In the second stage, fine-tuning with contrastive learning is performed to accurately predict the relative performance of different architectures rather than their absolute performance, which is sufficient to guide the evolutionary search. Across NASBench-101 and NASBench-201, DCL-ENAS achieves the highest validation accuracy, surpassing the strongest published baselines by 0.05\% (ImageNet16-120) to 0.39\% (NASBench-101). On a real-world ECG arrhythmia classification task, DCL-ENAS improves performance by approximately 2.5 percentage points over a manually designed, non-NAS model obtained via random search, while requiring only 7.7 GPU-days.

Offline Multi-Task Multi-Objective Data-Driven Evolutionary Algorithm with Language Surrogate Model and Implicit Q-Learning

Data-driven evolutionary algorithms has shown surprising results in addressing expensive optimization problems through robust surrogate modeling. Though promising, existing surrogate modeling schemes may encounter limitations in complex optimization problems with many sub-objectives, which rely on repeated and tedious approximation. To address such technical gap, we propose Q-MetaSur as a plug-and-play surrogate modeling scheme capable of providing unified and generalized surrogate learning. Specifically, we consider multi-task-multi-objective optimization~(MTMOO) in offline setting. Several key designs are proposed: 1) we transform objective approximation into sequence-to-sequence modeling where MTMOO problem can be represented by tenxual tokenization. To operate under such auto-regressive modeling, we introduce a Large Language Model-based surrogate model that first encodes a MTMOO instance and then decodes objective values of unseen decision variables. To ensure stability in training the proposed model, we propose a two-stage offline training strategy that operates as a synergy of supervised tuning and RL fine-tuning, which first exploits offline dataset to fit existing knowledge and then leverages RL to enhance model's generalization performance. Extensive empirical results on the CEC2019 benchmark demonstrate that Q-MetaSur not only outperforms representative surrogate baselines in objective approximation accuracy, but also helps underlying evolutionary algorithms achieve both desired optimization convergence and improved pareto optimality.

Learning Where, What and How to Transfer: A Multi-Role Reinforcement Learning Approach for Evolutionary Multitasking

Evolutionary multitasking (EMT) algorithms typically require tailored designs for knowledge transfer, in order to assure convergence and optimality in multitask optimization. In this paper, we explore designing a systematic and generalizable knowledge transfer policy through Reinforcement Learning. We first identify three major challenges: determining the task to transfer (where), the knowledge to be transferred (what) and the mechanism for the transfer (how). To address these challenges, we formulate a multi-role RL system where three (groups of) policy networks act as specialized agents: a task routing agent incorporates an attention-based similarity recognition module to determine source-target transfer pairs via attention scores; a knowledge control agent determines the proportion of elite solutions to transfer; and a group of strategy adaptation agents control transfer strength by dynamically controlling hyper-parameters in the underlying EMT framework. Through pre-training all network modules end-to-end over an augmented multitask problem distribution, a generalizable meta-policy is obtained. Comprehensive validation experiments show state-of-the-art performance of our method against representative baselines. Further in-depth analysis not only reveals the rationale behind our proposal but also provide insightful interpretations on what the system have learned.

Instance Generation for Meta-Black-Box Optimization through Latent Space Reverse Engineering

To relieve intensive human-expertise required to design optimization algorithms, recent Meta-Black-Box Optimization (MetaBBO) researches leverage generalization strength of meta-learning to train neural network-based algorithm design policies over a predefined training problem set, which automates the adaptability of the low-level optimizers on unseen problem instances. Currently, a common training problem set choice in existing MetaBBOs is well-known benchmark suites CoCo-BBOB. Although such choice facilitates the MetaBBO's development, problem instances in CoCo-BBOB are more or less limited in diversity, raising the risk of overfitting of MetaBBOs, which might further results in poor generalization. In this paper, we propose an instance generation approach, termed as \textbf{LSRE}, which could generate diverse training problem instances for MetaBBOs to learn more generalizable policies. LSRE first trains an autoencoder which maps high-dimensional problem features into a 2-dimensional latent space. Uniform-grid sampling in this latent space leads to hidden representations of problem instances with sufficient diversity. By leveraging a genetic-programming approach to search function formulas with minimal L2-distance to these hidden representations, LSRE reverse engineers a diversified problem set, termed as \textbf{Diverse-BBO}. We validate the effectiveness of LSRE by training various MetaBBOs on Diverse-BBO and observe their generalization performances on either synthetic or realistic scenarios. Extensive experimental results underscore the superiority of Diverse-BBO to existing training set choices in MetaBBOs. Further ablation studies not only demonstrate the effectiveness of design choices in LSRE, but also reveal interesting insights on instance diversity and MetaBBO's generalization.

DesignX: Human-Competitive Algorithm Designer for Black-Box Optimization

Designing effective black-box optimizers is hampered by limited problem-specific knowledge and manual control that spans months for almost every detail. In this paper, we present DesignX, the first automated algorithm design framework that generates an effective optimizer specific to a given black-box optimization problem within seconds. Rooted in the first principles, we identify two key sub-tasks: 1) algorithm structure generation and 2) hyperparameter control. To enable systematic construction, a comprehensive modular algorithmic space is first built, embracing hundreds of algorithm components collected from decades of research. We then introduce a dual-agent reinforcement learning system that collaborates on structural and parametric design through a novel cooperative training objective, enabling large-scale meta-training across 10k diverse instances. Remarkably, through days of autonomous learning, the DesignX-generated optimizers continuously surpass human-crafted optimizers by orders of magnitude, either on synthetic testbed or on realistic optimization scenarios such as Protein-docking, AutoML and UAV path planning. Further in-depth analysis reveals DesignX's capability to discover non-trivial algorithm patterns beyond expert intuition, which, conversely, provides valuable design insights for the optimization community. We provide DesignX's inference code at https://github.com/MetaEvo/DesignX.

MetaBox-v2: A Unified Benchmark Platform for Meta-Black-Box Optimization

Meta-Black-Box Optimization (MetaBBO) streamlines the automation of optimization algorithm design through meta-learning. It typically employs a bi-level structure: the meta-level policy undergoes meta-training to reduce the manual effort required in developing algorithms for low-level optimization tasks. The original MetaBox (2023) provided the first open-source framework for reinforcement learning-based single-objective MetaBBO. However, its relatively narrow scope no longer keep pace with the swift advancement in this field. In this paper, we introduce MetaBox-v2 (https://github.com/MetaEvo/MetaBox) as a milestone upgrade with four novel features: 1) a unified architecture supporting RL, evolutionary, and gradient-based approaches, by which we reproduce 23 up-to-date baselines; 2) efficient parallelization schemes, which reduce the training/testing time by 10-40x; 3) a comprehensive benchmark suite of 18 synthetic/realistic tasks (1900+ instances) spanning single-objective, multi-objective, multi-model, and multi-task optimization scenarios; 4) plentiful and extensible interfaces for custom analysis/visualization and integrating to external optimization tools/benchmarks. To show the utility of MetaBox-v2, we carry out a systematic case study that evaluates the built-in baselines in terms of the optimization performance, generalization ability and learning efficiency. Valuable insights are concluded from thorough and detailed analysis for practitioners and those new to the field.

Meta-Black-Box-Optimization through Offline Q-function Learning

Recent progress in Meta-Black-Box-Optimization (MetaBBO) has demonstrated that using RL to learn a meta-level policy for dynamic algorithm configuration (DAC) over an optimization task distribution could significantly enhance the performance of the low-level BBO algorithm. However, the online learning paradigms in existing works makes the efficiency of MetaBBO problematic. To address this, we propose an offline learning-based MetaBBO framework in this paper, termed Q-Mamba, to attain both effectiveness and efficiency in MetaBBO. Specifically, we first transform DAC task into long-sequence decision process. This allows us further introduce an effective Q-function decomposition mechanism to reduce the learning difficulty within the intricate algorithm configuration space. Under this setting, we propose three novel designs to meta-learn DAC policy from offline data: we first propose a novel collection strategy for constructing offline DAC experiences dataset with balanced exploration and exploitation. We then establish a decomposition-based Q-loss that incorporates conservative Q-learning to promote stable offline learning from the offline dataset. To further improve the offline learning efficiency, we equip our work with a Mamba architecture which helps long-sequence learning effectiveness and efficiency by selective state model and hardware-aware parallel scan respectively. Through extensive benchmarking, we observe that Q-Mamba achieves competitive or even superior performance to prior online/offline baselines, while significantly improving the training efficiency of existing online baselines. We provide sourcecodes of Q-Mamba at https://github.com/MetaEvo/Q-Mamba.

Advancing CMA-ES with Learning-Based Cooperative Coevolution for Scalable Optimization

Recent research in Cooperative Coevolution~(CC) have achieved promising progress in solving large-scale global optimization problems. However, existing CC paradigms have a primary limitation in that they require deep expertise for selecting or designing effective variable decomposition strategies. Inspired by advancements in Meta-Black-Box Optimization, this paper introduces LCC, a pioneering learning-based cooperative coevolution framework that dynamically schedules decomposition strategies during optimization processes. The decomposition strategy selector is parameterized through a neural network, which processes a meticulously crafted set of optimization status features to determine the optimal strategy for each optimization step. The network is trained via the Proximal Policy Optimization method in a reinforcement learning manner across a collection of representative problems, aiming to maximize the expected optimization performance. Extensive experimental results demonstrate that LCC not only offers certain advantages over state-of-the-art baselines in terms of optimization effectiveness and resource consumption, but it also exhibits promising transferability towards unseen problems.

Island-Based Evolutionary Computation with Diverse Surrogates and Adaptive Knowledge Transfer for High-Dimensional Data-Driven Optimization

In recent years, there has been a growing interest in data-driven evolutionary algorithms (DDEAs) employing surrogate models to approximate the objective functions with limited data. However, current DDEAs are primarily designed for lower-dimensional problems and their performance drops significantly when applied to large-scale optimization problems (LSOPs). To address the challenge, this paper proposes an offline DDEA named DSKT-DDEA. DSKT-DDEA leverages multiple islands that utilize different data to establish diverse surrogate models, fostering diverse subpopulations and mitigating the risk of premature convergence. In the intra-island optimization phase, a semi-supervised learning method is devised to fine-tune the surrogates. It not only facilitates data argumentation, but also incorporates the distribution information gathered during the search process to align the surrogates with the evolving local landscapes. Then, in the inter-island knowledge transfer phase, the algorithm incorporates an adaptive strategy that periodically transfers individual information and evaluates the transfer effectiveness in the new environment, facilitating global optimization efficacy. Experimental results demonstrate that our algorithm is competitive with state-of-the-art DDEAs on problems with up to 1000 dimensions, while also exhibiting decent parallelism and scalability. Our DSKT-DDEA is open-source and accessible at: https://github.com/LabGong/DSKT-DDEA.

Large Language Model as Meta-Surrogate for Data-Driven Many-Task Optimization: A Proof-of-Principle Study

In many-task optimization scenarios, surrogate models are valuable for mitigating the computational burden of repeated fitness evaluations across tasks. This study proposes a novel meta-surrogate framework to assist many-task optimization, by leveraging the knowledge transfer strengths and emergent capabilities of large language models (LLMs). We formulate a unified framework for many-task fitness prediction, by defining a universal model with metadata to fit a group of problems. Fitness prediction is performed on metadata and decision variables, enabling efficient knowledge sharing across tasks and adaptability to new tasks. The LLM-based meta-surrogate treats fitness prediction as conditional probability estimation, employing a unified token sequence representation for task metadata, inputs, and outputs. This approach facilitates efficient inter-task knowledge sharing through shared token embeddings and captures complex task dependencies via multi-task model training. Experimental results demonstrate the model's emergent generalization ability, including zero-shot performance on problems with unseen dimensions. When integrated into evolutionary transfer optimization (ETO), our framework supports dual-level knowledge transfer -- at both the surrogate and individual levels -- enhancing optimization efficiency and robustness. This work establishes a novel foundation for applying LLMs in surrogate modeling, offering a versatile solution for many-task optimization.