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arXiv:2301.03313 · neural information processing systems

BQ-NCO: Bisimulation Quotienting for Efficient Neural Combinatorial Optimization

Darko Drakulić, Sofia Michel, Florian Mai, Arnaud Sors, Jean‐Marc Andreoli

Published Jan 1, 2023• 25 citations
arXivHTMLPDF

Abstract

Despite the success of neural-based combinatorial optimization methods for end-to-end heuristic learning, out-of-distribution generalization remains a challenge. In this paper, we present a novel formulation of Combinatorial Optimization Problems (COPs) as Markov Decision Processes (MDPs) that effectively leverages common symmetries of COPs to improve out-of-distribution robustness. Starting from a direct MDP formulation of a constructive method, we introduce a generic way to reduce the state space, based on Bisimulation Quotienting (BQ) in MDPs. Then, for COPs with a recursive nature, we specialize the bisimulation and show how the reduced state exploits the symmetries of these problems and facilitates MDP solving. Our approach is principled and we prove that an optimal policy for the proposed BQ-MDP actually solves the associated COPs. We illustrate our approach on five classical problems: the Euclidean and Asymmetric Traveling Salesman, Capacitated Vehicle Routing, Orienteering and Knapsack Problems. Furthermore, for each problem, we introduce a simple attention-based policy network for the BQ-MDPs, which we train by imitation of (near) optimal solutions of small instances from a single distribution. We obtain new state-of-the-art results for the five COPs on both synthetic and realistic benchmarks. Notably, in contrast to most existing neural approaches, our learned policies show excellent generalization performance to much larger instances than seen during training, without any additional search procedure.

DOI
10.52202/075280-3385

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Despite the success of neural-based combinatorial optimization methods for end-to-end heuristic learning, out-of-distribution generalization remains a challenge. In this paper, we present a novel formulation of Combinatorial Optimization Problems (COPs) as Markov Decision Processes (MDPs) that effectively leverages common symmetries of COPs to improve out-of-distribution robustness. Starting from a direct MDP formulation of a constructive method, we introduce a generic way to reduce the state space, based on Bisimulation Quotienting (BQ) in MDPs. Then, for COPs with a recursive nature, we specialize the bisimulation and show how the reduced state exploits the symmetries of these problems and facilitates MDP solving. Our approach is principled and we prove that an optimal policy for the proposed BQ-MDP actually solves the associated COPs. We illustrate our approach on five classical problems: the Euclidean and Asymmetric Traveling Salesman, Capacitated Vehicle Routing, Orienteering and Knapsack Problems. Furthermore, for each problem, we introduce a simple attention-based policy network for the BQ-MDPs, which we train by imitation of (near) optimal solutions of small instances from a single distribution. We obtain new state-of-the-art results for the five COPs on both synthetic and realistic benchmarks. Notably, in contrast to most existing neural approaches, our learned policies show excellent generalization performance to much larger instances than seen during training, without any additional search procedure.
Solving combinatorial optimization problems (COPs) is a promising application of quantum computation, with the Quantum Approximate Optimization Algorithm (QAOA) being one of the most studied quantum algorithms for solving them. However, multiple factors make the parameter search of the QAOA a hard optimization problem. In this work, we study transfer learning (TL), a methodology to reuse pre-trained QAOA parameters of one problem instance into different COP instances. This methodology can be used to alleviate the necessity of classical optimization to find good parameters for individual problems. To this end, we select small cases of the traveling salesman problem (TSP), the bin packing problem (BPP), the knapsack problem (KP), the weighted maximum cut (MaxCut) problem, the maximal independent set (MIS) problem, and portfolio optimization (PO), and find optimal βββ and γγγ parameters for p layers. We compare how well the parameters found for one problem adapt to the others. Among the different problems, BPP is the one that produces the best transferable parameters, maintaining the probability of finding the optimal solution above a quadratic speedup over random guessing for problem sizes up to 42 qubits and p = 10 layers. Using the BPP parameters, we perform experiments on IonQ Harmony and Aria, Rigetti Aspen-M-3, and IBM Brisbane of MIS instances for up to 18 qubits. The results indicate that IonQ Aria yields the best overlap with the ideal probability distribution. Additionally, we show that cross-platform TL is possible using the D-Wave Advantage quantum annealer with the parameters found for BPP. We show an improvement in performance compared to the default protocols for MIS with up to 170 qubits. Our results suggest that there are QAOA parameters that generalize well for different COPs and annealing protocols.
Many complex problems encountered in both production and daily life can be conceptualized as combinatorial optimization problems (COPs). Many ad-hoc deep learning methods have been proposed to solve these problems, but there still lacks an effective unified framework. In this work, we take a step towards this goal by designing an unified end-to-end deep reinforcement learning framework named CONQUER. CONQUER first translates various COPs into the unified QUBO (Quadratic Unconstrained Binary Optimization) formalization, and afterwards trains a neural QUBO solver to search high-quality strategies, which are then checked and repaired to obtain the solutions for original COPs. The QUBO solver is a purely data-driven neural model, which does not rely on any expert inputs. We adopt the graph transformer network to represent the QUBO graph, so as to effectively capture the features of problem objective and constraints. The Deep Q-network is utilized to train the QUBO solver to find long-sighted solution strategies. Despite being trained solely on small synthetic graphs, CONQUER exhibits promising generality on much larger instances, and can be easily adapted to real-world datasets. Experimentally, we show that CONQUER achieves the state-of-the-art performances on four COPs over graphs, including minimum vertex cover, maximum independent set, maximum clique and maximum cut problem.
Advancements in Quantum Computing (QC) and Neural Combinatorial Optimization (NCO) represent promising steps in tackling complex computational challenges. On the one hand, Variational Quantum Algorithms such as QAOA can be used to solve a wide range of combinatorial optimization problems. On the other hand, the same class of problems can be solved by NCO, a method that has shown promising results, particularly since the introduction of Graph Neural Networks. Given recent advances in both research areas, we introduce Hamiltonian-based Quantum Reinforcement Learning (QRL), an approach at the intersection of QC and NCO. We model our ansatzes directly on the combinatorial optimization problem's Hamiltonian formulation, which allows us to apply our approach to a broad class of problems. Our ansatzes show favourable trainability properties when compared to the hardware efficient ansatzes, while also not being limited to graph-based problems, unlike previous approaches. In this work, we evaluate the performance of Hamiltonian-based QRL on a diverse set of combinatorial optimization problems to demonstrate the broad applicability of our approach and compare it to QAOA.
Mixed Binary Quadratic Programs (MBQPs) are an important and complex set of problems in combinatorial optimization. As solving large-scale combinatorial optimization problems is challenging, primal heuristics have been developed to quickly identify high-quality solutions within a short amount of time. Recently, a growing body of research has also used machine learning to accelerate solution methods for challenging combinatorial optimization problems. Despite the increasing popularity of these ML-guided methods, a large body of work has focused on Mixed-Integer Linear Programs (MILPs). MBQPs are challenging to solve due to the combinatorial complexity coupled with nonlinearities. This work proposes ML-guided primal heuristics for Mixed Binary Quadratic Programs (MBQPs) by adapting and extending existing work on ML-guided MILP solution prediction to MBQPs. We introduce a new neural network architecture for MBQP solution prediction and a new training data collection procedure. Moreover, we extend existing loss functions in solution prediction and propose to combine contrastive and weighted cross-entropy losses. We evaluate the methods on standard and real-world MBQP benchmarks and show that the developed ML-guided methods significantly outperform existing primal heuristics and state-of-the-art solvers. Furthermore, models trained with our proposed extension with combined losses outperform other ML-based methods adapted from MILPs and improve generalization in cross-regional inference on a real-world wind farm layout optimization problem.
In recent years, there has been notable interest in investigating combinatorial optimization (CO) problems by neural-based framework. An emerging strategy to tackle these challenging problems involves the adoption of graph neural networks (GNNs) as an alternative to traditional algorithms, a subject that has attracted considerable attention. Despite the growing popularity of GNNs and traditional algorithm solvers in the realm of CO, there is limited research on their integrated use and the correlation between them within an end-to-end framework. The primary focus of our work is to formulate a more efficient and precise framework for CO by employing decision-focused learning on graphs. Additionally, we introduce a decision-focused framework that utilizes GNNs to address CO problems with auxiliary support. To realize an end-to-end approach, we have designed two cascaded modules: (a) an unsupervised trained graph predictive model, and (b) a solver for quadratic binary unconstrained optimization. Empirical evaluations are conducted on various classical tasks, including maximum cut, maximum independent set, and minimum vertex cover. The experimental results on classical CO problems (i.e. MaxCut, MIS, and MVC) demonstrate the superiority of our method over both the standalone GNN approach and classical methods.
This work studies hybrid quantum-classical neural networks for learning routing heuristics. Specifically, this paper asks whether small quantum neural networks can replace parameter-heavy modules inside a competitive attention-based routing model while maintaining solution quality. For the capacitated vehicle routing problem, encoder feed-forward replacement emerges as the most promising design: it reduces the number of model parameters by 56.6% while keeping the hybrid model close to the classical neural baseline at small and medium instance sizes, although the gap grows for larger instances. This work also compares to classical routing algorithms, which remain highly competitive and often superior on the fixed Euclidean test sets. Our results therefore do not indicate quantum advantage or solver dominance, but identify encoder feed-forward replacement as a viable hybrid-module compression strategy for neural combinatorial optimization.