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.

Towards Ultra-Low-Power Neuromorphic Speech Enhancement with Spiking-FullSubNet

Speech enhancement is critical for improving speech intelligibility and quality in various audio devices. In recent years, deep learning-based methods have significantly improved speech enhancement performance, but they often come with a high computational cost, which is prohibitive for a large number of edge devices, such as headsets and hearing aids. This work proposes an ultra-low-power speech enhancement system based on the brain-inspired spiking neural network (SNN) called Spiking-FullSubNet. Spiking-FullSubNet follows a full-band and sub-band fusioned approach to effectively capture both global and local spectral information. To enhance the efficiency of computationally expensive sub-band modeling, we introduce a frequency partitioning method inspired by the sensitivity profile of the human peripheral auditory system. Furthermore, we introduce a novel spiking neuron model that can dynamically control the input information integration and forgetting, enhancing the multi-scale temporal processing capability of SNN, which is critical for speech denoising. Experiments conducted on the recent Intel Neuromorphic Deep Noise Suppression (N-DNS) Challenge dataset show that the Spiking-FullSubNet surpasses state-of-the-art methods by large margins in terms of both speech quality and energy efficiency metrics. Notably, our system won the championship of the Intel N-DNS Challenge (Algorithmic Track), opening up a myriad of opportunities for ultra-low-power speech enhancement at the edge. Our source code and model checkpoints are publicly available at https://github.com/haoxiangsnr/spiking-fullsubnet.

HM3: Hierarchical Multi-Objective Model Merging for Pretrained Models

Model merging is a technique that combines multiple large pretrained models into a single model with enhanced performance and broader task adaptability. It has gained popularity in large pretrained model development due to its ability to bypass the need for original training data and further training processes. However, most existing model merging approaches focus solely on exploring the parameter space, merging models with identical architectures. Merging within the architecture space, despite its potential, remains in its early stages due to the vast search space and the challenges of layer compatibility. This paper marks a significant advance toward more flexible and comprehensive model merging techniques by modeling the architecture-space merging process as a reinforcement learning task. We train policy and value networks using offline sampling of weight vectors, which are then employed for the online optimization of merging strategies. Moreover, a multi-objective optimization paradigm is introduced to accommodate users' diverse task preferences, learning the Pareto front of optimal models to offer customized merging suggestions. Experimental results across multiple tasks, including text translation, mathematical reasoning, and code generation, validate the effectiveness and superiority of the proposed framework in model merging. The code will be made publicly available after the review process.

Advancing Automated Knowledge Transfer in Evolutionary Multitasking via Large Language Models

Evolutionary Multi-task Optimization (EMTO) is a paradigm that leverages knowledge transfer across simultaneously optimized tasks for enhanced search performance. To facilitate EMTO's performance, various knowledge transfer models have been developed for specific optimization tasks. However, designing these models often requires substantial expert knowledge. Recently, large language models (LLMs) have achieved remarkable success in autonomous programming, aiming to produce effective solvers for specific problems. In this work, a LLM-based optimization paradigm is introduced to establish an autonomous model factory for generating knowledge transfer models, ensuring effective and efficient knowledge transfer across various optimization tasks. To evaluate the performance of the proposed method, we conducted comprehensive empirical studies comparing the knowledge transfer model generated by the LLM with existing state-of-the-art knowledge transfer methods. The results demonstrate that the generated model is able to achieve superior or competitive performance against hand-crafted knowledge transfer models in terms of both efficiency and effectiveness.

PMSN: A Parallel Multi-compartment Spiking Neuron for Multi-scale Temporal Processing

Spiking Neural Networks (SNNs) hold great potential to realize brain-inspired, energy-efficient computational systems. However, current SNNs still fall short in terms of multi-scale temporal processing compared to their biological counterparts. This limitation has resulted in poor performance in many pattern recognition tasks with information that varies across different timescales. To address this issue, we put forward a novel spiking neuron model called Parallel Multi-compartment Spiking Neuron (PMSN). The PMSN emulates biological neurons by incorporating multiple interacting substructures and allows for flexible adjustment of the substructure counts to effectively represent temporal information across diverse timescales. Additionally, to address the computational burden associated with the increased complexity of the proposed model, we introduce two parallelization techniques that decouple the temporal dependencies of neuronal updates, enabling parallelized training across different time steps. Our experimental results on a wide range of pattern recognition tasks demonstrate the superiority of PMSN. It outperforms other state-of-the-art spiking neuron models in terms of its temporal processing capacity, training speed, and computation cost. Specifically, compared with the commonly used Leaky Integrate-and-Fire neuron, PMSN offers a simulation acceleration of over 10 $\times$ and a 30 % improvement in accuracy on Sequential CIFAR10 dataset, while maintaining comparable computational cost.

Design Principle Transfer in Neural Architecture Search via Large Language Models

Transferable neural architecture search (TNAS) has been introduced to design efficient neural architectures for multiple tasks, to enhance the practical applicability of NAS in real-world scenarios. In TNAS, architectural knowledge accumulated in previous search processes is reused to warm up the architecture search for new tasks. However, existing TNAS methods still search in an extensive search space, necessitating the evaluation of numerous architectures. To overcome this challenge, this work proposes a novel transfer paradigm, i.e., design principle transfer. In this work, the linguistic description of various structural components' effects on architectural performance is termed design principles. They are learned from established architectures and then can be reused to reduce the search space by discarding unpromising architectures. Searching in the refined search space can boost both the search performance and efficiency for new NAS tasks. To this end, a large language model (LLM)-assisted design principle transfer (LAPT) framework is devised. In LAPT, LLM is applied to automatically reason the design principles from a set of given architectures, and then a principle adaptation method is applied to refine these principles progressively based on the new search results. Experimental results show that LAPT can beat the state-of-the-art TNAS methods on most tasks and achieve comparable performance on others.

Surrogate-Assisted Search with Competitive Knowledge Transfer for Expensive Optimization

Expensive optimization problems (EOPs) have attracted increasing research attention over the decades due to their ubiquity in a variety of practical applications. Despite many sophisticated surrogate-assisted evolutionary algorithms (SAEAs) that have been developed for solving such problems, most of them lack the ability to transfer knowledge from previously-solved tasks and always start their search from scratch, making them troubled by the notorious cold-start issue. A few preliminary studies that integrate transfer learning into SAEAs still face some issues, such as defective similarity quantification that is prone to underestimate promising knowledge, surrogate-dependency that makes the transfer methods not coherent with the state-of-the-art in SAEAs, etc. In light of the above, a plug and play competitive knowledge transfer method is proposed to boost various SAEAs in this paper. Specifically, both the optimized solutions from the source tasks and the promising solutions acquired by the target surrogate are treated as task-solving knowledge, enabling them to compete with each other to elect the winner for expensive evaluation, thus boosting the search speed on the target task. Moreover, the lower bound of the convergence gain brought by the knowledge competition is mathematically analyzed, which is expected to strengthen the theoretical foundation of sequential transfer optimization. Experimental studies conducted on a series of benchmark problems and a practical application from the petroleum industry verify the efficacy of the proposed method. The source code of the competitive knowledge transfer is available at https://github.com/XmingHsueh/SAS-CKT.

Learning to Transfer for Evolutionary Multitasking

Evolutionary multitasking (EMT) is an emerging approach for solving multitask optimization problems (MTOPs) and has garnered considerable research interest. The implicit EMT is a significant research branch that utilizes evolution operators to enable knowledge transfer (KT) between tasks. However, current approaches in implicit EMT face challenges in adaptability, due to the use of a limited number of evolution operators and insufficient utilization of evolutionary states for performing KT. This results in suboptimal exploitation of implicit KT's potential to tackle a variety of MTOPs. To overcome these limitations, we propose a novel Learning to Transfer (L2T) framework to automatically discover efficient KT policies for the MTOPs at hand. Our framework conceptualizes the KT process as a learning agent's sequence of strategic decisions within the EMT process. We propose an action formulation for deciding when and how to transfer, a state representation with informative features of evolution states, a reward formulation concerning convergence and transfer efficiency gain, and the environment for the agent to interact with MTOPs. We employ an actor-critic network structure for the agent and learn it via proximal policy optimization. This learned agent can be integrated with various evolutionary algorithms, enhancing their ability to address a range of new MTOPs. Comprehensive empirical studies on both synthetic and real-world MTOPs, encompassing diverse inter-task relationships, function classes, and task distributions are conducted to validate the proposed L2T framework. The results show a marked improvement in the adaptability and performance of implicit EMT when solving a wide spectrum of unseen MTOPs.

Towards Next Era of Multi-objective Optimization: Large Language Models as Architects of Evolutionary Operators

Multi-objective optimization problems (MOPs) are prevalent in various real-world applications, necessitating sophisticated solutions that balance conflicting objectives. Traditional evolutionary algorithms (EAs), while effective, often rely on domain-specific expert knowledge and iterative tuning, which can impede innovation when encountering novel MOPs. Very recently, the emergence of Large Language Models (LLMs) has revolutionized software engineering by enabling the autonomous development and refinement of programs. Capitalizing on this advancement, we propose a new LLM-based framework for evolving EA operators, designed to address a wide array of MOPs. This framework facilitates the production of EA operators without the extensive demands for expert intervention, thereby streamlining the design process. To validate the efficacy of our approach, we have conducted extensive empirical studies across various categories of MOPs. The results demonstrate the robustness and superior performance of our LLM-evolved operators.

Explainable Molecular Property Prediction: Aligning Chemical Concepts with Predictions via Language Models

Providing explainable molecule property predictions is critical for many scientific domains, such as drug discovery and material science. Though transformer-based language models have shown great potential in accurate molecular property prediction, they neither provide chemically meaningful explanations nor faithfully reveal the molecular structure-property relationships. In this work, we develop a new framework for explainable molecular property prediction based on language models, dubbed as Lamole, which can provide chemical concepts-aligned explanations. We first leverage a designated molecular representation -- the Group SELFIES -- as it can provide chemically meaningful semantics. Because attention mechanisms in Transformers can inherently capture relationships within the input, we further incorporate the attention weights and gradients together to generate explanations for capturing the functional group interactions. We then carefully craft a marginal loss to explicitly optimize the explanations to be able to align with the chemists' annotations. We bridge the manifold hypothesis with the elaborated marginal loss to prove that the loss can align the explanations with the tangent space of the data manifold, leading to concept-aligned explanations. Experimental results over six mutagenicity datasets and one hepatotoxicity dataset demonstrate Lamole can achieve comparable classification accuracy and boost the explanation accuracy by up to 14.8%, being the state-of-the-art in explainable molecular property prediction.