Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space. On the other hand, GFlowNets have recently emerged as a powerful machinery to efficiently sample from composite unnormalized densities sequentially and have the potential to amortize such solution-searching processes in CO, as well as generate diverse solution candidates. In this paper, we design Markov decision processes (MDPs) for different combinatorial problems and propose to train conditional GFlowNets to sample from the solution space. Efficient training techniques are also developed to benefit long-range credit assignment. Through extensive experiments on a variety of different CO tasks with synthetic and realistic data, we demonstrate that GFlowNet policies can efficiently find high-quality solutions.

We consider the non-convex non-concave objective function in two-player zero-sum continuous games. The existence of pure Nash equilibrium requires stringent conditions, posing a major challenge for this problem. To circumvent this difficulty, we examine the problem of identifying a mixed Nash equilibrium, where strategies are randomized and characterized by probability distributions over continuous domains.To this end, we propose PArticle-based Primal-dual ALgorithm (PAPAL) tailored for a weakly entropy-regularized min-max optimization over probability distributions. This algorithm employs the stochastic movements of particles to represent the updates of random strategies for the $\epsilon$-mixed Nash equilibrium. We offer a comprehensive convergence analysis of the proposed algorithm, demonstrating its effectiveness. In contrast to prior research that attempted to update particle importance without movements, PAPAL is the first implementable particle-based algorithm accompanied by non-asymptotic quantitative convergence results, running time, and sample complexity guarantees. Our framework contributes novel insights into the particle-based algorithms for continuous min-max optimization in the general non-convex non-concave setting.

This study tackles the issue of neural network pruning that inaccurate gradients exist when computing the empirical Fisher Information Matrix (FIM). We introduce an entropic Wasserstein regression (EWR) formulation, capitalizing on the geometric attributes of the optimal transport (OT) problem. This is analytically showcased to excel in noise mitigation by adopting neighborhood interpolation across data points. The unique strength of the Wasserstein distance is its intrinsic ability to strike a balance between noise reduction and covariance information preservation. Extensive experiments performed on various networks show comparable performance of the proposed method with state-of-the-art (SoTA) network pruning algorithms. Our proposed method outperforms the SoTA when the network size or the target sparsity is large, the gain is even larger with the existence of noisy gradients, possibly from noisy data, analog memory, or adversarial attacks. Notably, our proposed method achieves a gain of 6% improvement in accuracy and 8% improvement in testing loss for MobileNetV1 with less than one-fourth of the network parameters remaining.

Optimizers are essential components for successfully training deep neural network models. In order to achieve the best performance from such models, designers need to carefully choose the optimizer hyperparameters. However, this can be a computationally expensive and time-consuming process. Although it is known that all optimizer hyperparameters must be tuned for maximum performance, there is still a lack of clarity regarding the individual influence of minor priority hyperparameters, including the safeguard factor $\epsilon$ and momentum factor $\beta$, in leading adaptive optimizers (specifically, those based on the Adam optimizers). In this manuscript, we introduce a new framework based on gradient histograms to analyze and justify important attributes of adaptive optimizers, such as their optimal performance and the relationships and dependencies among hyperparameters. Furthermore, we propose a novel gradient histogram-based algorithm that automatically estimates a reduced and accurate search space for the safeguard hyperparameter $\epsilon$, where the optimal value can be easily found.

Most tourist destinations are facing regular and consistent seasonality with significant economic and social impacts. This phenomenon is more pronounced in the post-covid era, where demand for travel has increased but unevenly among different geographic areas. To counter these problems that both customers and hoteliers are facing, we have developed two auctioning systems that allow hoteliers of lower popularity tier areas or during low season periods to auction their rooms in what we call a forward auction model, and also allows customers to initiate a bidding process whereby hoteliers in an area may make offers to the customer for their rooms, in what constitutes a reverse auction model initiated by the customer, similar to the bidding concept of priceline.com. We develop mathematical programming models that define explicitly both types of auctions, and show that in each type, there are significant benefits to be gained both on the side of the hotelier as well as on the side of the customer. We discuss algorithmic techniques for the approximate solution of these optimization problems, and present results using exact optimization solvers to solve them to guaranteed optimality. These techniques could be beneficial to both customer and hotelier reducing seasonality during middle and low season and providing the customer with attractive offers.

Decentralized bilevel optimization has been actively studied in the past few years since it has widespread applications in machine learning. However, existing algorithms suffer from large communication complexity caused by the estimation of stochastic hypergradient, limiting their application to real-world tasks. To address this issue, we develop a novel decentralized stochastic bilevel gradient descent algorithm under the heterogeneous setting, which enjoys a small communication cost in each round and small communication rounds. As such, it can achieve a much better communication complexity than existing algorithms. Moreover, we extend our algorithm to the more challenging decentralized multi-level optimization. To the best of our knowledge, this is the first time achieving these theoretical results under the heterogeneous setting. At last, the experimental results confirm the efficacy of our algorithm.

Bayesian optimization (BO) is a popular method for optimizing expensive black-box functions. BO has several well-documented shortcomings, including computational slowdown with longer optimization runs, poor suitability for non-stationary or ill-conditioned objective functions, and poor convergence characteristics. Several algorithms have been proposed that incorporate local strategies, such as trust regions, into BO to mitigate these limitations; however, none address all of them satisfactorily. To address these shortcomings, we propose the LABCAT algorithm, which extends trust-region-based BO by adding principal-component-aligned rotation and an adaptive rescaling strategy based on the length-scales of a local Gaussian process surrogate model with automatic relevance determination. Through extensive numerical experiments using a set of synthetic test functions and the well-known COCO benchmarking software, we show that the LABCAT algorithm outperforms several state-of-the-art BO and other black-box optimization algorithms.

We present a review that unifies decision-support methods for exploring the solutions produced by multi-objective optimization (MOO) algorithms. As MOO is applied to solve diverse problems, approaches for analyzing the trade-offs offered by MOO algorithms are scattered across fields. We provide an overview of the advances on this topic, including methods for visualization, mining the solution set, and uncertainty exploration as well as emerging research directions, including interactivity, explainability, and ethics. We synthesize these methods drawing from different fields of research to build a unified approach, independent of the application. Our goals are to reduce the entry barrier for researchers and practitioners on using MOO algorithms and to provide novel research directions.

Numerous web applications rely on solving combinatorial optimization problems, such as energy cost-aware scheduling, budget allocation on web advertising, and graph matching on social networks. However, many optimization problems involve unknown coefficients, and improper predictions of these factors may lead to inferior decisions which may cause energy wastage, inefficient resource allocation, inappropriate matching in social networks, etc. Such a research topic is referred to as "Predict-Then-Optimize (PTO)" which considers the performance of prediction and decision-making in a unified system. A noteworthy recent development is the end-to-end methods by directly optimizing the ultimate decision quality which claims to yield better results in contrast to the traditional two-stage approach. However, the evaluation benchmarks in this field are fragmented and the effectiveness of various models in different scenarios remains unclear, hindering the comprehensive assessment and fast deployment of these methods. To address these issues, we provide a comprehensive categorization of current approaches and integrate existing experimental scenarios to establish a unified benchmark, elucidating the circumstances under which end-to-end training yields improvements, as well as the contexts in which it performs ineffectively. We also introduce a new dataset for the industrial combinatorial advertising problem for inclusive finance to open-source. We hope the rethinking and benchmarking of PTO could facilitate more convenient evaluation and deployment, and inspire further improvements both in the academy and industry within this field.

Travelling Salesperson Problems (TSPs) and Vehicle Routing Problems (VRPs) have achieved reasonable improvement in accuracy and computation time with the adaptation of Machine Learning (ML) methods. However, none of the previous works completely respects the symmetries arising from TSPs and VRPs including rotation, translation, permutation, and scaling. In this work, we introduce the first-ever completely equivariant model and training to solve combinatorial problems. Furthermore, it is essential to capture the multiscale structure (i.e. from local to global information) of the input graph, especially for the cases of large and long-range graphs, while previous methods are limited to extracting only local information that can lead to a local or sub-optimal solution. To tackle the above limitation, we propose a Multiresolution scheme in combination with Equivariant Graph Attention network (mEGAT) architecture, which can learn the optimal route based on low-level and high-level graph resolutions in an efficient way. In particular, our approach constructs a hierarchy of coarse-graining graphs from the input graph, in which we try to solve the routing problems on simple low-level graphs first, then utilize that knowledge for the more complex high-level graphs. Experimentally, we have shown that our model outperforms existing baselines and proved that symmetry preservation and multiresolution are important recipes for solving combinatorial problems in a data-driven manner. Our source code is publicly available at https://github.com/HySonLab/Multires-NP-hard