PolyNet: Learning Diverse Solution Strategies for Neural Combinatorial Optimization

Reinforcement learning-based methods for constructing solutions to combinatorial optimization problems are rapidly approaching the performance of human-designed algorithms. To further narrow the gap, learning-based approaches must efficiently explore the solution space during the search process. Recent approaches artificially increase exploration by enforcing diverse solution generation through handcrafted rules, however, these rules can impair solution quality and are difficult to design for more complex problems. In this paper, we introduce PolyNet, an approach for improving exploration of the solution space by learning complementary solution strategies. In contrast to other works, PolyNet uses only a single-decoder and a training schema that does not enforce diverse solution generation through handcrafted rules. We evaluate PolyNet on four combinatorial optimization problems and observe that the implicit diversity mechanism allows PolyNet to find better solutions than approaches the explicitly enforce diverse solution generation.

AC-Band: A Combinatorial Bandit-Based Approach to Algorithm Configuration

We study the algorithm configuration (AC) problem, in which one seeks to find an optimal parameter configuration of a given target algorithm in an automated way. Recently, there has been significant progress in designing AC approaches that satisfy strong theoretical guarantees. However, a significant gap still remains between the practical performance of these approaches and state-of-the-art heuristic methods. To this end, we introduce AC-Band, a general approach for the AC problem based on multi-armed bandits that provides theoretical guarantees while exhibiting strong practical performance. We show that AC-Band requires significantly less computation time than other AC approaches providing theoretical guarantees while still yielding high-quality configurations.

Simulation-guided Beam Search for Neural Combinatorial Optimization

Neural approaches for combinatorial optimization (CO) equip a learning mechanism to discover powerful heuristics for solving complex real-world problems. While neural approaches capable of high-quality solutions in a single shot are emerging, state-of-the-art approaches are often unable to take full advantage of the solving time available to them. In contrast, hand-crafted heuristics perform highly effective search well and exploit the computation time given to them, but contain heuristics that are difficult to adapt to a dataset being solved. With the goal of providing a powerful search procedure to neural CO approaches, we propose simulation-guided beam search (SGBS), which examines candidate solutions within a fixed-width tree search that both a neural net-learned policy and a simulation (rollout) identify as promising. We further hybridize SGBS with efficient active search (EAS), where SGBS enhances the quality of solutions backpropagated in EAS, and EAS improves the quality of the policy used in SGBS. We evaluate our methods on well-known CO benchmarks and show that SGBS significantly improves the quality of the solutions found under reasonable runtime assumptions.

A Survey of Methods for Automated Algorithm Configuration

Algorithm configuration (AC) is concerned with the automated search of the most suitable parameter configuration of a parametrized algorithm. There is currently a wide variety of AC problem variants and methods proposed in the literature. Existing reviews do not take into account all derivatives of the AC problem, nor do they offer a complete classification scheme. To this end, we introduce taxonomies to describe the AC problem and features of configuration methods, respectively. We review existing AC literature within the lens of our taxonomies, outline relevant design choices of configuration approaches, contrast methods and problem variants against each other, and describe the state of AC in industry. Finally, our review provides researchers and practitioners with a look at future research directions in the field of AC.

The First AI4TSP Competition: Learning to Solve Stochastic Routing Problems

This paper reports on the first international competition on AI for the traveling salesman problem (TSP) at the International Joint Conference on Artificial Intelligence 2021 (IJCAI-21). The TSP is one of the classical combinatorial optimization problems, with many variants inspired by real-world applications. This first competition asked the participants to develop algorithms to solve a time-dependent orienteering problem with stochastic weights and time windows (TD-OPSWTW). It focused on two types of learning approaches: surrogate-based optimization and deep reinforcement learning. In this paper, we describe the problem, the setup of the competition, the winning methods, and give an overview of the results. The winning methods described in this work have advanced the state-of-the-art in using AI for stochastic routing problems. Overall, by organizing this competition we have introduced routing problems as an interesting problem setting for AI researchers. The simulator of the problem has been made open-source and can be used by other researchers as a benchmark for new AI methods.

Efficient Active Search for Combinatorial Optimization Problems

Recently numerous machine learning based methods for combinatorial optimization problems have been proposed that learn to construct solutions in a sequential decision process via reinforcement learning. While these methods can be easily combined with search strategies like sampling and beam search, it is not straightforward to integrate them into a high-level search procedure offering strong search guidance. Bello et al. (2016) propose active search, which adjusts the weights of a (trained) model with respect to a single instance at test time using reinforcement learning. While active search is simple to implement, it is not competitive with state-of-the-art methods because adjusting all model weights for each test instance is very time and memory intensive. Instead of updating all model weights, we propose and evaluate three efficient active search strategies that only update a subset of parameters during the search. The proposed methods offer a simple way to significantly improve the search performance of a given model and outperform state-of-the-art machine learning based methods on combinatorial problems, even surpassing the well-known heuristic solver LKH3 on the capacitated vehicle routing problem. Finally, we show that (efficient) active search enables learned models to effectively solve instances that are much larger than those seen during training.

Learning How to Optimize Black-Box Functions With Extreme Limits on the Number of Function Evaluations

We consider black-box optimization in which only an extremely limited number of function evaluations, on the order of around 100, are affordable and the function evaluations must be performed in even fewer batches of a limited number of parallel trials. This is a typical scenario when optimizing variable settings that are very costly to evaluate, for example in the context of simulation-based optimization or machine learning hyperparameterization. We propose an original method that uses established approaches to propose a set of points for each batch and then down-selects from these candidate points to the number of trials that can be run in parallel. The key novelty of our approach lies in the introduction of a hyperparameterized method for down-selecting the number of candidates to the allowed batch-size, which is optimized offline using automated algorithm configuration. We tune this method for black box optimization and then evaluate on classical black box optimization benchmarks. Our results show that it is possible to learn how to combine evaluation points suggested by highly diverse black box optimization methods conditioned on the progress of the optimization. Compared with the state of the art in black box minimization and various other methods specifically geared towards few-shot minimization, we achieve an average reduction of 50\% of normalized cost, which is a highly significant improvement in performance.

Neural Large Neighborhood Search for the Capacitated Vehicle Routing Problem

Learning how to automatically solve optimization problems has the potential to provide the next big leap in optimization technology. The performance of automatically learned heuristics on routing problems has been steadily improving in recent years, but approaches based purely on machine learning are still outperformed by state-of-the-art optimization methods. To close this performance gap, we propose a novel large neighborhood search (LNS) framework for vehicle routing that integrates learned heuristics for generating new solutions. The learning mechanism is based on a deep neural network with an attention mechanism and has been especially designed to be integrated into an LNS search setting. We evaluate our approach on the capacitated vehicle routing problem (CVRP) and the split delivery vehicle routing problem (SDVRP). On CVRP instances with up to 297 customers our approach significantly outperforms an LNS that uses only handcrafted heuristics and a well-known heuristic from the literature. Furthermore, we show for the CVRP and the SDVRP that our approach surpasses the performance of existing machine learning approaches and comes close to the performance of state-of-the-art optimization approaches.

Deep Learning Assisted Heuristic Tree Search for the Container Pre-marshalling Problem

One of the key challenges for operations researchers solving real-world problems is designing and implementing high-quality heuristics to guide their search procedures. In the past, machine learning techniques have failed to play a major role in operations research approaches, especially in terms of guiding branching and pruning decisions. We integrate deep neural networks into a heuristic tree search procedure to decide which branch to choose next and to estimate a bound for pruning the search tree of an optimization problem. We call our approach Deep Learning assisted heuristic Tree Search (DLTS) and apply it to a well-known problem from the container terminals literature, the container pre-marshalling problem (CPMP). Our approach is able to learn heuristics customized to the CPMP solely through analyzing the solutions to CPMP instances, and applies this knowledge within a heuristic tree search to produce the highest quality heuristic solutions to the CPMP to date.

ASlib: A Benchmark Library for Algorithm Selection

The task of algorithm selection involves choosing an algorithm from a set of algorithms on a per-instance basis in order to exploit the varying performance of algorithms over a set of instances. The algorithm selection problem is attracting increasing attention from researchers and practitioners in AI. Years of fruitful applications in a number of domains have resulted in a large amount of data, but the community lacks a standard format or repository for this data. This situation makes it difficult to share and compare different approaches effectively, as is done in other, more established fields. It also unnecessarily hinders new researchers who want to work in this area. To address this problem, we introduce a standardized format for representing algorithm selection scenarios and a repository that contains a growing number of data sets from the literature. Our format has been designed to be able to express a wide variety of different scenarios. Demonstrating the breadth and power of our platform, we describe a set of example experiments that build and evaluate algorithm selection models through a common interface. The results display the potential of algorithm selection to achieve significant performance improvements across a broad range of problems and algorithms.