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Recently, graph condensation has emerged as a prevalent technique to improve the training efficiency for graph neural networks (GNNs). It condenses a large graph into a small one such that a GNN trained on this small synthetic graph can achieve comparable performance to a GNN trained on a large graph. However, while existing graph condensation studies mainly focus on the best trade-off between graph size and the GNNs' performance (model utility), the security issues of graph condensation have not been studied. To bridge this research gap, we propose the task of backdoor graph condensation. While graph backdoor attacks have been extensively explored, applying existing graph backdoor methods for graph condensation is not practical since they can undermine the model utility and yield low attack success rate. To alleviate these issues, we introduce two primary objectives for backdoor attacks against graph condensation: 1) the injection of triggers cannot affect the quality of condensed graphs, maintaining the utility of GNNs trained on them; and 2) the effectiveness of triggers should be preserved throughout the condensation process, achieving high attack success rate. To pursue the objectives, we devise the first backdoor attack against graph condensation, denoted as BGC. Specifically, we inject triggers during condensation and iteratively update the triggers to ensure effective attacks. Further, we propose a poisoned node selection module to minimize the influence of triggers on condensed graphs' quality. The extensive experiments demonstrate the effectiveness of our attack. BGC achieves a high attack success rate (close to 1.0) and good model utility in all cases. Furthermore, the results demonstrate our method's resilience against multiple defense methods. Finally, we conduct comprehensive studies to analyze the factors that influence the attack performance.

Real-world applications involve various discrete optimization problems. Designing a specialized optimizer for each of these problems is challenging, typically requiring significant domain knowledge and human efforts. Hence, developing general-purpose optimizers as an off-the-shelf tool for a wide range of problems has been a long-standing research target. This article introduces MEGO, a novel general-purpose neural optimizer trained through a fully data-driven learning-to-optimize (L2O) approach. MEGO consists of a mixture-of-experts trained on experiences from solving training problems and can be viewed as a foundation model for optimization problems with binary decision variables. When presented with a problem to solve, MEGO actively selects relevant expert models to generate high-quality solutions. MEGO can be used as a standalone sample-efficient optimizer or in conjunction with existing search methods as an initial solution generator. The generality of MEGO is validated across six problem classes, including three classic problem classes and three problem classes arising from real-world applications in compilers, network analysis, and 3D reconstruction. Trained solely on classic problem classes, MEGO performs very well on all six problem classes, significantly surpassing widely used general-purpose optimizers in both solution quality and efficiency. In some cases, MEGO even surpasses specialized state-of-the-art optimizers. Additionally, MEGO provides a similarity measure between problems, yielding a new perspective for problem classification. In the pursuit of general-purpose optimizers through L2O, MEGO represents an initial yet significant step forward., Comment: 34 pages, 6 figures

This paper focuses on solving the capacitated arc routing problem with time-dependent service costs (CARPTDSC), which is motivated by winter gritting applications. In the current literature, exact algorithms designed for CARPTDSC can only handle small-scale instances, while heuristic algorithms fail to obtain high-quality solutions. To overcome these limitations, we propose a novel dual-stage algorithm, called MAENS-GN, that consists of a routing stage and a vehicle departure time optimization stage. The former obtains the routing plan, while the the latter determines the vehicle departure time. Importantly, existing literature often ignores the characteristic information contained in the relationship between the route cost and the vehicle departure time. The most significant innovation in this paper lies in the exploitation of this characteristic information during the vehicle departure time optimization stage. Specifically, we conduct a detailed analysis of this relationship under various scenarios and employ tailored methods to obtain the (approximately) optimal vehicle departure time. Furthermore, we propose an improved initialization strategy that considers time-dependent characteristics to achieve better solution quality. In addition to the modified benchmark test sets, we also experiment on a real-world test set. Experimental results demonstrate that MAENS-GN can obtain high-quality solutions on both small-scale and larger-scale instances of CARPTDSC.

Multi-objective combinatorial optimization (MOCO) problems are prevalent in various real-world applications. Most existing neural MOCO methods rely on problem decomposition to transform an MOCO problem into a series of singe-objective combinatorial optimization (SOCO) problems. However, these methods often approximate partial regions of the Pareto front and spend excessive time on diversity enhancement because of ambiguous decomposition and time-consuming precise hypervolume calculation. To address these limitations, we design a Geometry-Aware Pareto set Learning algorithm named GAPL, which provides a novel geometric perspective for neural MOCO via a Pareto attention model based on hypervolume expectation maximization. In addition, we propose a hypervolume residual update strategy to enable the Pareto attention model to capture both local and non-local information of the Pareto set/front. We also design a novel inference approach to further improve quality of the solution set and speed up hypervolume calculation. Experimental results on three classic MOCO problems demonstrate that our GAPL outperforms several state-of-the-art baselines via superior decomposition and efficient diversity enhancement.

Pointer Network (PtrNet) is a specific neural network for solving Combinatorial Optimization Problems (COPs). While PtrNets offer real-time feed-forward inference for complex COPs instances, its quality of the results tends to be less satisfactory. One possible reason is that such issue suffers from the lack of global search ability of the gradient descent, which is frequently employed in traditional PtrNet training methods including both supervised learning and reinforcement learning. To improve the performance of PtrNet, this paper delves deeply into the advantages of training PtrNet with Evolutionary Algorithms (EAs), which have been widely acknowledged for not easily getting trapped by local optima. Extensive empirical studies based on the Travelling Salesman Problem (TSP) have been conducted. Results demonstrate that PtrNet trained with EA can consistently perform much better inference results than eight state-of-the-art methods on various problem scales. Compared with gradient descent based PtrNet training methods, EA achieves up to 30.21\% improvement in quality of the solution with the same computational time. With this advantage, this paper is able to at the first time report the results of solving 1000-dimensional TSPs by training a PtrNet on the same dimensionality, which strongly suggests that scaling up the training instances is in need to improve the performance of PtrNet on solving higher-dimensional COPs., Comment: None

Evolutionary algorithms (EAs) have achieved remarkable success in tackling complex combinatorial optimization problems. However, EAs often demand carefully-designed operators with the aid of domain expertise to achieve satisfactory performance. In this work, we present the first study on large language models (LLMs) as evolutionary combinatorial optimizers. The main advantage is that it requires minimal domain knowledge and human efforts, as well as no additional training of the model. This approach is referred to as LLM-driven EA (LMEA). Specifically, in each generation of the evolutionary search, LMEA instructs the LLM to select parent solutions from current population, and perform crossover and mutation to generate offspring solutions. Then, LMEA evaluates these new solutions and include them into the population for the next generation. LMEA is equipped with a self-adaptation mechanism that controls the temperature of the LLM. This enables it to balance between exploration and exploitation and prevents the search from getting stuck in local optima. We investigate the power of LMEA on the classical traveling salesman problems (TSPs) widely used in combinatorial optimization research. Notably, the results show that LMEA performs competitively to traditional heuristics in finding high-quality solutions on TSP instances with up to 20 nodes. Additionally, we also study the effectiveness of LLM-driven crossover/mutation and the self-adaptation mechanism in evolutionary search. In summary, our results reveal the great potentials of LLMs as evolutionary optimizers for solving combinatorial problems. We hope our research shall inspire future explorations on LLM-driven EAs for complex optimization challenges., Comment: Accepted by CEC 2024

Modern techniques in Content-based Recommendation (CBR) leverage item content information to provide personalized services to users, but suffer from resource-intensive training on large datasets. To address this issue, we explore the dataset condensation for textual CBR in this paper. The goal of dataset condensation is to synthesize a small yet informative dataset, upon which models can achieve performance comparable to those trained on large datasets. While existing condensation approaches are tailored to classification tasks for continuous data like images or embeddings, direct application of them to CBR has limitations. To bridge this gap, we investigate efficient dataset condensation for content-based recommendation. Inspired by the remarkable abilities of large language models (LLMs) in text comprehension and generation, we leverage LLMs to empower the generation of textual content during condensation. To handle the interaction data involving both users and items, we devise a dual-level condensation method: content-level and user-level. At content-level, we utilize LLMs to condense all contents of an item into a new informative title. At user-level, we design a clustering-based synthesis module, where we first utilize LLMs to extract user interests. Then, the user interests and user embeddings are incorporated to condense users and generate interactions for condensed users. Notably, the condensation paradigm of this method is forward and free from iterative optimization on the synthesized dataset. Extensive empirical findings from our study, conducted on three authentic datasets, substantiate the efficacy of the proposed method. Particularly, we are able to approximate up to 97% of the original performance while reducing the dataset size by 95% (i.e., on dataset MIND).

Training recommendation models on large datasets often requires significant time and computational resources. Consequently, an emergent imperative has arisen to construct informative, smaller-scale datasets for efficiently training. Dataset compression techniques explored in other domains show potential possibility to address this problem, via sampling a subset or synthesizing a small dataset. However, applying existing approaches to condense recommendation datasets is impractical due to following challenges: (i) sampling-based methods are inadequate in addressing the long-tailed distribution problem; (ii) synthesizing-based methods are not applicable due to discreteness of interactions and large size of recommendation datasets; (iii) neither of them fail to address the specific issue in recommendation of false negative items, where items with potential user interest are incorrectly sampled as negatives owing to insufficient exposure. To bridge this gap, we investigate dataset condensation for recommendation, where discrete interactions are continualized with probabilistic re-parameterization. To avoid catastrophically expensive computations, we adopt a one-step update strategy for inner model training and introducing policy gradient estimation for outer dataset synthesis. To mitigate amplification of long-tailed problem, we compensate long-tailed users in the condensed dataset. Furthermore, we propose to utilize a proxy model to identify false negative items. Theoretical analysis regarding the convergence property is provided. Extensive experiments on multiple datasets demonstrate the efficacy of our method. In particular, we reduce the dataset size by 75% while approximating over 98% of the original performance on Dianping and over 90% on other datasets.

Graph-based collaborative filtering has emerged as a powerful paradigm for delivering personalized recommendations. Despite their demonstrated effectiveness, these methods often neglect the underlying intents of users, which constitute a pivotal facet of comprehensive user interests. Consequently, a series of approaches have arisen to tackle this limitation by introducing independent intent representations. However, these approaches fail to capture the intricate relationships between intents of different users and the compatibility between user intents and item properties. To remedy the above issues, we propose a novel method, named uniformly co-clustered intent modeling. Specifically, we devise a uniformly contrastive intent modeling module to bring together the embeddings of users with similar intents and items with similar properties. This module aims to model the nuanced relations between intents of different users and properties of different items, especially those unreachable to each other on the user-item graph. To model the compatibility between user intents and item properties, we design the user-item co-clustering module, maximizing the mutual information of co-clusters of users and items. This approach is substantiated through theoretical validation, establishing its efficacy in modeling compatibility to enhance the mutual information between user and item representations. Comprehensive experiments on various real-world datasets verify the effectiveness of the proposed framework., Comment: In submission

Real-time solutions to the influence blocking maximization (IBM) problems are crucial for promptly containing the spread of misinformation. However, achieving this goal is non-trivial, mainly because assessing the blocked influence of an IBM problem solution typically requires plenty of expensive Monte Carlo simulations (MCSs). Although several approaches have been proposed to enhance efficiency, they still fail to achieve real-time solutions to IBM problems of practical scales. This work presents a novel approach that enables solving IBM problems with hundreds of thousands of nodes and edges in seconds. The key idea is to construct a fast-to-evaluate surrogate model, called neural influence estimator (NIE), as a substitute for the time-intensive MCSs. To this end, a learning problem is formulated to build the NIE that takes the false-and-true information instance as input, extracts features describing the topology and inter-relationship between two seed sets, and predicts the blocked influence. A well-trained NIE can generalize across different IBM problems defined on a social network, and can be readily combined with existing IBM optimization algorithms such as the greedy algorithm. The experiments on 25 IBM problems with up to millions of edges show that the NIE-based optimization method can be up to four orders of magnitude faster than MCSs-based optimization method to achieve the same solution quality. Moreover, given a real-time constraint of one minute, the NIE-based method can solve IBM problems with up to hundreds of thousands of nodes, which is at least one order of magnitude larger than what can be solved by existing methods.

The multiple-choice knapsack problem (MCKP) is a classic NP-hard combinatorial optimization problem. Motivated by several significant real-world applications, this work investigates a novel variant of MCKP called chance-constrained multiple-choice knapsack problem (CCMCKP), where the item weights are random variables. In particular, we focus on the practical scenario of CCMCKP, where the probability distributions of random weights are unknown but only sample data is available. We first present the problem formulation of CCMCKP and then establish two benchmark sets. The first set contains synthetic instances and the second set is devised to simulate a real-world application scenario of a certain telecommunication company. To solve CCMCKP, we propose a data-driven adaptive local search (DDALS) algorithm. The main novelty of DDALS lies in its data-driven solution evaluation approach that can effectively handle unknown probability distributions of item weights. Moreover, in cases with unknown distributions, high intensity of chance constraints, limited amount of sample data and large-scale problems, it still exhibits good performance. Experimental results demonstrate the superiority of DDALS over other baselines on the two benchmarks. Additionally, ablation studies confirm the effectiveness of each component of the algorithm. Finally, DDALS can serve as the baseline for future research, and the benchmark sets are open-sourced to further promote research on this challenging problem.

Large language models (LLMs) have shown remarkable performance in various tasks and have been extensively utilized by the public. However, the increasing concerns regarding the misuse of LLMs, such as plagiarism and spamming, have led to the development of multiple detectors, including fine-tuned classifiers and statistical methods. In this study, we equip LLMs with prompts, rather than relying on an external paraphraser, to evaluate the vulnerability of these detectors. We propose a novel Substitution-based In-Context example Optimization method (SICO) to automatically construct prompts for evading the detectors. SICO is cost-efficient as it requires only 40 human-written examples and a limited number of LLM inferences to generate a prompt. Moreover, once a task-specific prompt has been constructed, it can be universally used against a wide range of detectors. Extensive experiments across three real-world tasks demonstrate that SICO significantly outperforms the paraphraser baselines and enables GPT-3.5 to successfully evade six detectors, decreasing their AUC by 0.5 on average. Furthermore, a comprehensive human evaluation show that the SICO-generated text achieves human-level readability and task completion rates, while preserving high imperceptibility. Finally, we propose an ensemble approach to enhance the robustness of detectors against SICO attack. The code is publicly available at https://github.com/ColinLu50/Evade-GPT-Detector., Comment: TMLR camera ready

Multi-domain learning (MDL) refers to simultaneously constructing a model or a set of models on datasets collected from different domains. Conventional approaches emphasize domain-shared information extraction and domain-private information preservation, following the shared-private framework (SP models), which offers significant advantages over single-domain learning. However, the limited availability of annotated data in each domain considerably hinders the effectiveness of conventional supervised MDL approaches in real-world applications. In this paper, we introduce a novel method called multi-domain contrastive learning (MDCL) to alleviate the impact of insufficient annotations by capturing both semantic and structural information from both labeled and unlabeled data.Specifically, MDCL comprises two modules: inter-domain semantic alignment and intra-domain contrast. The former aims to align annotated instances of the same semantic category from distinct domains within a shared hidden space, while the latter focuses on learning a cluster structure of unlabeled instances in a private hidden space for each domain. MDCL is readily compatible with many SP models, requiring no additional model parameters and allowing for end-to-end training. Experimental results across five textual and image multi-domain datasets demonstrate that MDCL brings noticeable improvement over various SP models.Furthermore, MDCL can further be employed in multi-domain active learning (MDAL) to achieve a superior initialization, eventually leading to better overall performance., Comment: This paper has been accepted to ECAI-23

Word-level textual adversarial attacks have demonstrated notable efficacy in misleading Natural Language Processing (NLP) models. Despite their success, the underlying reasons for their effectiveness and the fundamental characteristics of adversarial examples (AEs) remain obscure. This work aims to interpret word-level attacks by examining their $n$-gram frequency patterns. Our comprehensive experiments reveal that in approximately 90\% of cases, word-level attacks lead to the generation of examples where the frequency of $n$-grams decreases, a tendency we term as the $n$-gram Frequency Descend ($n$-FD). This finding suggests a straightforward strategy to enhance model robustness: training models using examples with $n$-FD. To examine the feasibility of this strategy, we employed the $n$-gram frequency information, as an alternative to conventional loss gradients, to generate perturbed examples in adversarial training. The experiment results indicate that the frequency-based approach performs comparably with the gradient-based approach in improving model robustness. Our research offers a novel and more intuitive perspective for understanding word-level textual adversarial attacks and proposes a new direction to improve model robustness., Comment: To be published in: 2024 IEEE Conference on Artificial Intelligence (CAI 2024)

Attack Ensemble (AE), which combines multiple attacks together, provides a reliable way to evaluate adversarial robustness. In practice, AEs are often constructed and tuned by human experts, which however tends to be sub-optimal and time-consuming. In this work, we present AutoAE, a conceptually simple approach for automatically constructing AEs. In brief, AutoAE repeatedly adds the attack and its iteration steps to the ensemble that maximizes ensemble improvement per additional iteration consumed. We show theoretically that AutoAE yields AEs provably within a constant factor of the optimal for a given defense. We then use AutoAE to construct two AEs for $l_{\infty}$ and $l_2$ attacks, and apply them without any tuning or adaptation to 45 top adversarial defenses on the RobustBench leaderboard. In all except one cases we achieve equal or better (often the latter) robustness evaluation than existing AEs, and notably, in 29 cases we achieve better robustness evaluation than the best known one. Such performance of AutoAE shows itself as a reliable evaluation protocol for adversarial robustness, which further indicates the huge potential of automatic AE construction. Code is available at \url{https://github.com/LeegerPENG/AutoAE}.

It has been widely observed that there exists no universal best Multi-objective Evolutionary Algorithm (MOEA) dominating all other MOEAs on all possible Multi-objective Optimization Problems (MOPs). In this work, we advocate using the Parallel Algorithm Portfolio (PAP), which runs multiple MOEAs independently in parallel and gets the best out of them, to combine the advantages of different MOEAs. Since the manual construction of PAPs is non-trivial and tedious, we propose to automatically construct high-performance PAPs for solving MOPs. Specifically, we first propose a variant of PAPs, namely MOEAs/PAP, which can better determine the output solution set for MOPs than conventional PAPs. Then, we present an automatic construction approach for MOEAs/PAP with a novel performance metric for evaluating the performance of MOEAs across multiple MOPs. Finally, we use the proposed approach to construct a MOEAs/PAP based on a training set of MOPs and an algorithm configuration space defined by several variants of NSGA-II. Experimental results show that the automatically constructed MOEAs/PAP can even rival the state-of-the-art ensemble MOEAs designed by human experts, demonstrating the huge potential of automatic construction of PAPs in multi-objective optimization.

Traditional solvers for tackling combinatorial optimization (CO) problems are usually designed by human experts. Recently, there has been a surge of interest in utilizing deep learning, especially deep reinforcement learning, to automatically learn effective solvers for CO. The resultant new paradigm is termed neural combinatorial optimization (NCO). However, the advantages and disadvantages of NCO relative to other approaches have not been empirically or theoretically well studied. This work presents a comprehensive comparative study of NCO solvers and alternative solvers. Specifically, taking the traveling salesman problem as the testbed problem, the performance of the solvers is assessed in five aspects, i.e., effectiveness, efficiency, stability, scalability, and generalization ability. Our results show that the solvers learned by NCO approaches, in general, still fall short of traditional solvers in nearly all these aspects. A potential benefit of NCO solvers would be their superior time and energy efficiency for small-size problem instances when sufficient training instances are available. Hopefully, this work would help with a better understanding of the strengths and weaknesses of NCO and provide a comprehensive evaluation protocol for further benchmarking NCO approaches in comparison to other approaches., Comment: Accepted by IEEE CIM

Social recommendations utilize social relations to enhance the representation learning for recommendations. Most social recommendation models unify user representations for the user-item interactions (collaborative domain) and social relations (social domain). However, such an approach may fail to model the users heterogeneous behavior patterns in two domains, impairing the expressiveness of user representations. In this work, to address such limitation, we propose a novel Disentangled contrastive learning framework for social Recommendations DcRec. More specifically, we propose to learn disentangled users representations from the item and social domains. Moreover, disentangled contrastive learning is designed to perform knowledge transfer between disentangled users representations for social recommendations. Comprehensive experiments on various real-world datasets demonstrate the superiority of our proposed model., Comment: CIKM2022

Deep neural networks are vulnerable to adversarial examples, even in the black-box setting where the attacker is only accessible to the model output. Recent studies have devised effective black-box attacks with high query efficiency. However, such performance is often accompanied by compromises in attack imperceptibility, hindering the practical use of these approaches. In this paper, we propose to restrict the perturbations to a small salient region to generate adversarial examples that can hardly be perceived. This approach is readily compatible with many existing black-box attacks and can significantly improve their imperceptibility with little degradation in attack success rate. Further, we propose the Saliency Attack, a new black-box attack aiming to refine the perturbations in the salient region to achieve even better imperceptibility. Extensive experiments show that compared to the state-of-the-art black-box attacks, our approach achieves much better imperceptibility scores, including most apparent distortion (MAD), $L_0$ and $L_2$ distances, and also obtains significantly higher success rates judged by a human-like threshold on MAD. Importantly, the perturbations generated by our approach are interpretable to some extent. Finally, it is also demonstrated to be robust to different detection-based defenses.

This work considers a challenging Deep Neural Network(DNN) quantization task that seeks to train quantized DNNs without involving any full-precision operations. Most previous quantization approaches are not applicable to this task since they rely on full-precision gradients to update network weights. To fill this gap, in this work we advocate using Evolutionary Algorithms (EAs) to search for the optimal low-bits weights of DNNs. To efficiently solve the induced large-scale discrete problem, we propose a novel EA based on cooperative coevolution that repeatedly groups the network weights based on the confidence in their values and focuses on optimizing the ones with the least confidence. To the best of our knowledge, this is the first work that applies EAs to train quantized DNNs. Experiments show that our approach surpasses previous quantization approaches and can train a 4-bit ResNet-20 on the Cifar-10 dataset with the same test accuracy as its full-precision counterpart., Comment: 13 pages, 4 figures, accepted for publication of ICSI

The field of adversarial textual attack has significantly grown over the last few years, where the commonly considered objective is to craft adversarial examples (AEs) that can successfully fool the target model. However, the imperceptibility of attacks, which is also essential for practical attackers, is often left out by previous studies. In consequence, the crafted AEs tend to have obvious structural and semantic differences from the original human-written text, making them easily perceptible. In this work, we advocate leveraging multi-objectivization to address such issue. Specifically, we reformulate the problem of crafting AEs as a multi-objective optimization problem, where the attack imperceptibility is considered as an auxiliary objective. Then, we propose a simple yet effective evolutionary algorithm, dubbed HydraText, to solve this problem. To the best of our knowledge, HydraText is currently the only approach that can be effectively applied to both score-based and decision-based attack settings. Exhaustive experiments involving 44237 instances demonstrate that HydraText consistently achieves competitive attack success rates and better attack imperceptibility than the recently proposed attack approaches. A human evaluation study also shows that the AEs crafted by HydraText are more indistinguishable from human-written text. Finally, these AEs exhibit good transferability and can bring notable robustness improvement to the target model by adversarial training.

Over the past few years, various word-level textual attack approaches have been proposed to reveal the vulnerability of deep neural networks used in natural language processing. Typically, these approaches involve an important optimization step to determine which substitute to be used for each word in the original input. However, current research on this step is still rather limited, from the perspectives of both problem-understanding and problem-solving. In this paper, we address these issues by uncovering the theoretical properties of the problem and proposing an efficient local search algorithm (LS) to solve it. We establish the first provable approximation guarantee on solving the problem in general cases.Extensive experiments involving 5 NLP tasks, 8 datasets and 26 NLP models show that LS can largely reduce the number of queries usually by an order of magnitude to achieve high attack success rates. Further experiments show that the adversarial examples crafted by LS usually have higher quality, exhibit better transferability, and can bring more robustness improvement to victim models by adversarial training.

Multi-domain learning (MDL) refers to learning a set of models simultaneously, where each model is specialized to perform a task in a particular domain. Generally, a high labeling effort is required in MDL, as data needs to be labeled by human experts for every domain. Active learning (AL) can be utilized in MDL to reduce the labeling effort by only using the most informative data. The resultant paradigm is termed multi-domain active learning (MDAL). In this work, we provide an exhaustive literature review for MDAL on the relevant fields, including AL, cross-domain information sharing schemes, and cross-domain instance evaluation approaches. It is found that the few studies which have been directly conducted on MDAL cannot serve as off-the-shelf solutions on more general MDAL tasks. To fill this gap, we construct a pipeline of MDAL and present a comprehensive comparative study of thirty different algorithms, which are established by combining six representative MDL models and five commonly used AL strategies. We evaluate the algorithms on six datasets involving textual and visual classification tasks. In most cases, AL brings notable improvements to MDL, and the naive BvSB (best vs. second best) Uncertainty strategy can perform competitively with the state-of-the-art AL strategies. Besides, BvSB with the MAN (multinomial adversarial networks) model can consistently achieve top or above-average performance on all the datasets. Furthermore, we qualitatively analyze the behaviors of the well-performed strategies and models, shedding light on their superior performance in the comparison. Finally, we recommend using BvSB with the MAN model in the application of MDAL due to their good performance in the experiments., Comment: This work has been accepted by IEEE-TETCI

Black-box problems are common in real life like structural design, drug experiments, and machine learning. When optimizing black-box systems, decision-makers always consider multiple performances and give the final decision by comprehensive evaluations. Motivated by such practical needs, we focus on constrained black-box problems where the objective and constraints lack known special structure, and evaluations are expensive and even with noise. We develop a novel constrained Bayesian optimization approach based on the knowledge gradient method ($c-\rm{KG}$). A new acquisition function is proposed to determine the next batch of samples considering optimality and feasibility. An unbiased estimator of the gradient of the new acquisition function is derived to implement the $c-\rm{KG}$ approach., Comment: 14 pages, 0 figures

The Vehicle Routing Problem with Simultaneous Pickup-Delivery and Time Windows (VRPSPDTW) has attracted much research interest in the last decade, due to its wide application in modern logistics. Since VRPSPDTW is NP-hard and exact methods are only applicable to small-scale instances, heuristics and meta-heuristics are commonly adopted. In this paper we propose a novel Memetic Algorithm with efficient local search and extended neighborhood, dubbed MATE, to solve this problem. Compared to existing algorithms, the advantages of MATE lie in two aspects. First, it is capable of more effectively exploring the search space, due to its novel initialization procedure, crossover and large-step-size operators. Second, it is also more efficient in local exploitation, due to its sophisticated constant-time-complexity move evaluation mechanism. Experimental results on public benchmarks show that MATE outperforms all the state-of-the-art algorithms, and notably, finds new best-known solutions on 12 instances (65 instances in total). Moreover, a comprehensive ablation study is also conducted to show the effectiveness of the novel components integrated in MATE. Finally, a new benchmark of large-scale instances, derived from a real-world application of the JD logistics, is introduced, which can serve as a new and more challenging test set for future research.

Generalization, i.e., the ability of solving problem instances that are not available during the system design and development phase, is a critical goal for intelligent systems. A typical way to achieve good generalization is to learn a model from vast data. In the context of heuristic search, such a paradigm could be implemented as configuring the parameters of a parallel algorithm portfolio (PAP) based on a set of training problem instances, which is often referred to as PAP construction. However, compared to traditional machine learning, PAP construction often suffers from the lack of training instances, and the obtained PAPs may fail to generalize well. This paper proposes a novel competitive co-evolution scheme, named Co-Evolution of Parameterized Search (CEPS), as a remedy to this challenge. By co-evolving a configuration population and an instance population, CEPS is capable of obtaining generalizable PAPs with few training instances. The advantage of CEPS in improving generalization is analytically shown in this paper. Two concrete algorithms, namely CEPS-TSP and CEPS-VRPSPDTW, are presented for the Traveling Salesman Problem (TSP) and the Vehicle Routing Problem with Simultaneous Pickup-Delivery and Time Windows (VRPSPDTW), respectively. Experimental results show that CEPS has led to better generalization, and even managed to find new best-known solutions for some instances.

The Travelling Salesman Problem (TSP) is a classical NP-hard problem and has broad applications in many disciplines and industries. In a large scale location-based services system, users issue TSP queries concurrently, where a TSP query is a TSP instance with $n$ points. In the literature, many advanced TSP solvers are developed to find high-quality solutions. Such solvers can solve some TSP instances efficiently but may take an extremely long time for some other instances. Due to the diversity of TSP instances, it is well-known that there exists no universal best solver dominating all other solvers on all possible TSP instances. To solve TSP efficiently, in addition to developing new TSP solvers, it needs to find a per-instance solver for each TSP instance, which is known as the TSP solver selection problem. In this paper, for the first time, we propose a deep learning framework, \CTAS, for TSP solver selection in an end-to-end manner. Specifically, \CTAS exploits deep convolutional neural networks to extract informative features from TSP instances and involves data argumentation strategies to handle the scarcity of labeled TSP instances. Moreover, to support large scale TSP solver selection, we construct a challenging TSP benchmark dataset with 6,000 instances, which is known as the largest TSP benchmark. Our \CTAS achieves over 2$\times$ speedup of the average running time, comparing the single best solver, and outperforms the state-of-the-art statistical models.

Over the last decade, research on automated parameter tuning, often referred to as automatic algorithm configuration (AAC), has made significant progress. Although the usefulness of such tools has been widely recognized in real world applications, the theoretical foundations of AAC are still very weak. This paper addresses this gap by studying the performance estimation problem in AAC. More specifically, this paper first proves the universal best performance estimator in a practical setting, and then establishes theoretical bounds on the estimation error, i.e., the difference between the training performance and the true performance for a parameter configuration, considering finite and infinite configuration spaces respectively. These findings were verified in extensive experiments conducted on four algorithm configuration scenarios involving different problem domains. Moreover, insights for enhancing existing AAC methods are also identified., Comment: accepted by AAAI 2020

Simultaneously utilizing several complementary solvers is a simple yet effective strategy for solving computationally hard problems. However, manually building such solver portfolios typically requires considerable domain knowledge and plenty of human effort. As an alternative, automatic construction of parallel portfolios (ACPP) aims at automatically building effective parallel portfolios based on a given problem instance set and a given rich design space. One promising way to solve the ACPP problem is to explicitly group the instances into different subsets and promote a component solver to handle each of them.This paper investigates solving ACPP from this perspective, and especially studies how to obtain a good instance grouping.The experimental results showed that the parallel portfolios constructed by the proposed method could achieve consistently superior performances to the ones constructed by the state-of-the-art ACPP methods,and could even rival sophisticated hand-designed parallel solvers.

This paper studies improving solvers based on their past solving experiences, and focuses on improving solvers by offline training. Specifically, the key issues of offline training methods are discussed, and research belonging to this category but from different areas are reviewed in a unified framework. Existing training methods generally adopt a two-stage strategy in which selecting the training instances and training instances are treated in two independent phases. This paper proposes a new training method, dubbed LiangYi, which addresses these two issues simultaneously. LiangYi includes a training module for a population-based solver and an instance sampling module for updating the training instances. The idea behind LiangYi is to promote the population-based solver by training it (with the training module) to improve its performance on those instances (discovered by the sampling module) on which it performs badly, while keeping the good performances obtained by it on previous instances. An instantiation of LiangYi on the Travelling Salesman Problem is also proposed. Empirical results on a huge testing set containing 10000 instances showed LiangYi could train solvers that perform significantly better than the solvers trained by other state-of-the-art training method. Moreover, empirical investigation of the behaviours of LiangYi confirmed it was able to continuously improve the solver through training.