CUHK
Abstract:Multi-objective optimization (MOO) has been widely studied in literature because of its versatility in human-centered decision making in real-life applications. Recently, demand for dynamic MOO is fast-emerging due to tough market dynamics that require real-time re-adjustments of priorities for different objectives. However, most existing studies focus either on deterministic MOO problems which are not practical, or non-sequential dynamic MOO decision problems that cannot deal with some real-life complexities. To address these challenges, a preference-agile multi-objective optimization (PAMOO) is proposed in this paper to permit users to dynamically adjust and interactively assign the preferences on the fly. To achieve this, a novel uniform model within a deep reinforcement learning (DRL) framework is proposed that can take as inputs users' dynamic preference vectors explicitly. Additionally, a calibration function is fitted to ensure high quality alignment between the preference vector inputs and the output DRL decision policy. Extensive experiments on challenging real-life vehicle dispatching problems at a container terminal showed that PAMOO obtains superior performance and generalization ability when compared with two most popular MOO methods. Our method presents the first dynamic MOO method for challenging \rev{dynamic sequential MOO decision problems
Abstract:An important recurring pattern in scientific breakthroughs is a two-stage process: an initial phase of undirected experimentation that yields an unexpected finding, followed by a retrospective phase that explains why the finding works and situates it within existing theory. We present ResearchEVO, an end-to-end framework that computationally instantiates this discover-then-explain paradigm. The Evolution Phase employs LLM-guided bi-dimensional co-evolution -- simultaneously optimizing both algorithmic logic and overall architecture -- to search the space of code implementations purely by fitness, without requiring any understanding of the solutions it produces. The Writing Phase then takes the best-performing algorithm and autonomously generates a complete, publication-ready research paper through sentence-level retrieval-augmented generation with explicit anti-hallucination verification and automated experiment design. To our knowledge, ResearchEVO is the first system to cover this full pipeline end to end: no prior work jointly performs principled algorithm evolution and literature-grounded scientific documentation. We validate the framework on two cross-disciplinary scientific problems -- Quantum Error Correction using real Google quantum hardware data, and Physics-Informed Neural Networks -- where the Evolution Phase discovered human-interpretable algorithmic mechanisms that had not been previously proposed in the respective domain literatures. In both cases, the Writing Phase autonomously produced compilable LaTeX manuscripts that correctly grounded these blind discoveries in existing theory via RAG, with zero fabricated citations.
Abstract:Personalized Federated Learning (PFL) aims to train customized models for clients with highly heterogeneous data distributions while preserving data privacy. Existing approaches often rely on heuristics like clustering or model interpolation, which lack principled mechanisms for balancing heterogeneous client objectives. Serving $M$ clients with distinct data distributions is inherently a multi-objective optimization problem, where achieving optimal personalization ideally requires $M$ distinct models on the Pareto front. However, maintaining $M$ separate models poses significant scalability challenges in federated settings with hundreds or thousands of clients. To address this challenge, we reformulate PFL as a few-for-many optimization problem that maintains only $K$ shared server models ($K \ll M$) to collectively serve all $M$ clients. We prove that this framework achieves near-optimal personalization: the approximation error diminishes as $K$ increases and each client's model converges to each client's optimum as data grows. Building on this reformulation, we propose FedFew, a practical algorithm that jointly optimizes the $K$ server models through efficient gradient-based updates. Unlike clustering-based approaches that require manual client partitioning or interpolation-based methods that demand careful hyperparameter tuning, FedFew automatically discovers the optimal model diversity through its optimization process. Experiments across vision, NLP, and real-world medical imaging datasets demonstrate that FedFew, with just 3 models, consistently outperforms other state-of-the-art approaches. Code is available at https://github.com/pgg3/FedFew.
Abstract:Offline model-based optimization (MBO) seeks to discover high-performing designs using only a fixed dataset of past evaluations. Most existing methods rely on learning a surrogate model via regression and implicitly assume that good predictive accuracy leads to good optimization performance. In this work, we challenge this assumption and study offline MBO from a learnability perspective. We argue that offline optimization is fundamentally a problem of ranking high-quality designs rather than accurate value prediction. Specifically, we introduce an optimization-oriented risk based on ranking between near-optimal and suboptimal designs, and develop a unified theoretical framework that connects surrogate learning to final optimization. We prove the theoretical advantages of ranking over regression, and identify distributional mismatch between the training data and near-optimal designs as the dominant error. Inspired by this, we design a distribution-aware ranking method to reduce this mismatch. Empirical results across various tasks show that our approach outperforms twenty existing methods, validating our theoretical findings. Additionally, both theoretical and empirical results reveal intrinsic limitations in offline MBO, showing a regime in which no offline method can avoid over-optimistic extrapolation.
Abstract:Local class imbalance and data heterogeneity across clients often trap prototype-based federated contrastive learning in a prototype bias loop: biased local prototypes induced by imbalanced data are aggregated into biased global prototypes, which are repeatedly reused as contrastive anchors, accumulating errors across communication rounds. To break this loop, we propose Confidence-Aware Federated Contrastive Learning (CAFedCL), a novel framework that improves the prototype aggregation mechanism and strengthens the contrastive alignment guided by prototypes. CAFedCL employs a confidence-aware aggregation mechanism that leverages predictive uncertainty to downweight high-variance local prototypes. In addition, generative augmentation for minority classes and geometric consistency regularization are integrated to stabilize the structure between classes. From a theoretical perspective, we provide an expectation-based analysis showing that our aggregation reduces estimation variance, thereby bounding global prototype drift and ensuring convergence. Extensive experiments under varying levels of class imbalance and data heterogeneity demonstrate that CAFedCL consistently outperforms representative federated baselines in both accuracy and client fairness.
Abstract:The Capacitated Vehicle Routing Problem (CVRP), a fundamental combinatorial optimization challenge, focuses on optimizing fleet operations under vehicle capacity constraints. While extensively studied in operational research, the NP-hard nature of CVRP continues to pose significant computational challenges, particularly for large-scale instances. This study presents AILS-AHD (Adaptive Iterated Local Search with Automatic Heuristic Design), a novel approach that leverages Large Language Models (LLMs) to revolutionize CVRP solving. Our methodology integrates an evolutionary search framework with LLMs to dynamically generate and optimize ruin heuristics within the AILS method. Additionally, we introduce an LLM-based acceleration mechanism to enhance computational efficiency. Comprehensive experimental evaluations against state-of-the-art solvers, including AILS-II and HGS, demonstrate the superior performance of AILS-AHD across both moderate and large-scale instances. Notably, our approach establishes new best-known solutions for 8 out of 10 instances in the CVRPLib large-scale benchmark, underscoring the potential of LLM-driven heuristic design in advancing the field of vehicle routing optimization.
Abstract:Neural routing solvers (NRSs) that leverage deep learning to tackle vehicle routing problems have demonstrated notable potential for practical applications. By learning implicit heuristic rules from data, NRSs replace the handcrafted counterparts in classic heuristic frameworks, thereby reducing reliance on costly manual design and trial-and-error adjustments. This survey makes two main contributions: (1) The heuristic nature of NRSs is highlighted, and existing NRSs are reviewed from the perspective of heuristics. A hierarchical taxonomy based on heuristic principles is further introduced. (2) A generalization-focused evaluation pipeline is proposed to address limitations of the conventional pipeline. Comparative benchmarking of representative NRSs across both pipelines uncovers a series of previously unreported gaps in current research.
Abstract:The Quality-Diversity (QD) optimization aims to discover a collection of high-performing solutions that simultaneously exhibit diverse behaviors within a user-defined behavior space. This paradigm has stimulated significant research interest and demonstrated practical utility in domains including robot control, creative design, and adversarial sample generation. A variety of QD algorithms with distinct design principles have been proposed in recent years. Instead of proposing a new QD algorithm, this work introduces a novel reformulation by casting the QD optimization as a multi-objective optimization (MOO) problem with a huge number of optimization objectives. By establishing this connection, we enable the direct adoption of well-established MOO methods, particularly set-based scalarization techniques, to solve QD problems through a collaborative search process. We further provide a theoretical analysis demonstrating that our approach inherits theoretical guarantees from MOO while providing desirable properties for the QD optimization. Experimental studies across several QD applications confirm that our method achieves performance competitive with state-of-the-art QD algorithms.
Abstract:Neighborhood search operators are critical to the performance of Multi-Objective Evolutionary Algorithms (MOEAs) and rely heavily on expert design. Although recent LLM-based Automated Heuristic Design (AHD) methods have made notable progress, they primarily optimize individual heuristics or components independently, lacking explicit exploration and exploitation of dynamic coupling relationships between multiple operators. In this paper, multi-operator optimization in MOEAs is formulated as a Markov decision process, enabling the improvement of interdependent operators through sequential decision-making. To address this, we propose the Evolution of Operator Combination (E2OC) framework for MOEAs, which achieves the co-evolution of design strategies and executable codes. E2OC employs Monte Carlo Tree Search to progressively search combinations of operator design strategies and adopts an operator rotation mechanism to identify effective operator configurations while supporting the integration of mainstream AHD methods as the underlying designer. Experimental results across AHD tasks with varying objectives and problem scales show that E2OC consistently outperforms state-of-the-art AHD and other multi-heuristic co-design frameworks, demonstrating strong generalization and sustained optimization capability.
Abstract:Dynamic multi-product delivery environments demand rapid coordination of part completion and product-level kitting within hybrid processing and assembly systems to satisfy strict hierarchical supply constraints. The flexible assembly flow shop scheduling problem formally defines dependencies for multi-stage kitting, yet dynamic variants make designing integrated scheduling rules under multi-level time coupling highly challenging. Existing automated heuristic design methods, particularly genetic programming constrained to fixed terminal symbol sets, struggle to capture and leverage dynamic uncertainties and hierarchical dependency information under transient decision states. This study develops an LLM-assisted Dynamic Rule Design framework (LLM4DRD) that automatically evolves integrated online scheduling rules adapted to scheduling features. Firstly, multi-stage processing and assembly supply decisions are transformed into feasible directed edge orderings based on heterogeneous graph. Then, an elite knowledge guided initialization embeds advanced design expertise into initial rules to enhance initial quality. Additionally, a dual-expert mechanism is introduced in which LLM-A evolutionary code to generate candidate rules and LLM-S conducts scheduling evaluation, while dynamic feature-fitting rule evolution combined with hybrid evaluation enables continuous improvement and extracts adaptive rules with strong generalization capability. A series of experiments are conducted to validate the effectiveness of the method. The average tardiness of LLM4DRD is 3.17-12.39% higher than state-of-the-art methods in 20 practical instances used for training and testing, respectively. In 24 scenarios with different resource configurations, order loads, and disturbance levels totaling 480 instances, it achieves 11.10% higher performance than the second best competitor, exhibiting excellent robustness.