Didier Chételat

Maxime Gasse, Quentin Cappart, Jonas Charfreitag et al. · deepmind, utoronto

Combinatorial optimization is a well-established area in operations research and computer science. Until recently, its methods have focused on solving problem instances in isolation, ignoring that they often stem from related data distributions in practice. However, recent years have seen a surge of interest in using machine learning as a new approach for solving combinatorial problems, either directly as solvers or by enhancing exact solvers. Based on this context, the ML4CO aims at improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components. The competition featured three challenging tasks: finding the best feasible solution, producing the tightest optimality certificate, and giving an appropriate solver configuration. Three realistic datasets were considered: balanced item placement, workload apportionment, and maritime inventory routing. This last dataset was kept anonymous for the contestants.

Abdel Ghani Labassi, Didier Chételat, Andrea Lodi

Branch-and-bound approaches in integer programming require ordering portions of the space to explore next, a problem known as node comparison. We propose a new siamese graph neural network model to tackle this problem, where the nodes are represented as bipartite graphs with attributes. Similar to prior work, we train our model to imitate a diving oracle that plunges towards the optimal solution. We evaluate our method by solving the instances in a plain framework where the nodes are explored according to their rank. On three NP-hard benchmarks chosen to be particularly primal-difficult, our approach leads to faster solving and smaller branch- and-bound trees than the default ranking function of the open-source solver SCIP, as well as competing machine learning methods. Moreover, these results generalize to instances larger than used for training. Code for reproducing the experiments can be found at https://github.com/ds4dm/learn2comparenodes.

Lara Scavuzzo, Feng Yang Chen, Didier Chételat et al.

State-of-the-art Mixed Integer Linear Program (MILP) solvers combine systematic tree search with a plethora of hard-coded heuristics, such as the branching rule. The idea of learning branching rules from data has received increasing attention recently, and promising results have been obtained by learning fast approximations of the strong branching expert. In this work, we instead propose to learn branching rules from scratch via Reinforcement Learning (RL). We revisit the work of Etheve et al. (2020) and propose tree Markov Decision Processes, or tree MDPs, a generalization of temporal MDPs that provides a more suitable framework for learning to branch. We derive a tree policy gradient theorem, which exhibits a better credit assignment compared to its temporal counterpart. We demonstrate through computational experiments that tree MDPs improve the learning convergence, and offer a promising framework for tackling the learning-to-branch problem in MILPs.

Chendi Qian, Didier Chételat, Christopher Morris

Recently, machine learning, particularly message-passing graph neural networks (MPNNs), has gained traction in enhancing exact optimization algorithms. For example, MPNNs speed up solving mixed-integer optimization problems by imitating computational intensive heuristics like strong branching, which entails solving multiple linear optimization problems (LPs). Despite the empirical success, the reasons behind MPNNs' effectiveness in emulating linear optimization remain largely unclear. Here, we show that MPNNs can simulate standard interior-point methods for LPs, explaining their practical success. Furthermore, we highlight how MPNNs can serve as a lightweight proxy for solving LPs, adapting to a given problem instance distribution. Empirically, we show that MPNNs solve LP relaxations of standard combinatorial optimization problems close to optimality, often surpassing conventional solvers and competing approaches in solving time.

Chris Cameron, Wangzheng Wang, Nikita Ivanov et al.

Looped transformers scale computational depth without increasing parameter count by repeatedly applying a shared transformer block and can be used for iterative refinement, where each loop rewrites a full fixed-size prediction in parallel. On difficult problems, such as those that require search-like computation, reaching a highly structured solution starting from noise can require long refinement trajectories. Learning such trajectories is challenging when training specifies only the target solution and provides no supervision over the intermediate refinement path. Diffusion models tackle this issue by corrupting data with varying magnitudes of noise and training the model to reverse it in a \textit{single step}. However, this process misaligns training and testing behaviour. We introduce Denoising Recursion Models, a method that similarly corrupts data with noise but trains the model to reverse the corruption over \textit{multiple} recursive steps. This strategy provides a tractable curriculum of intermediate states, while better aligning training with testing and incentivizing non-greedy, forward-looking generation. Through extensive experiments, we show this approach outperforms the Tiny Recursion Model (TRM) on ARC-AGI, where it recently achieved breakthrough performance.

Maxime Gasse, Didier Chételat, Nicola Ferroni et al.

Combinatorial optimization problems are typically tackled by the branch-and-bound paradigm. We propose a new graph convolutional neural network model for learning branch-and-bound variable selection policies, which leverages the natural variable-constraint bipartite graph representation of mixed-integer linear programs. We train our model via imitation learning from the strong branching expert rule, and demonstrate on a series of hard problems that our approach produces policies that improve upon state-of-the-art machine-learning methods for branching and generalize to instances significantly larger than seen during training. Moreover, we improve for the first time over expert-designed branching rules implemented in a state-of-the-art solver on large problems. Code for reproducing all the experiments can be found at https://github.com/ds4dm/learn2branch.

Zhanguang Zhang, Didier Chetelat, Joseph Cotnareanu et al.

Boolean satisfiability (SAT) problems are routinely solved by SAT solvers in real-life applications, yet solving time can vary drastically between solvers for the same instance. This has motivated research into machine learning models that can predict, for a given SAT instance, which solver to select among several options. Existing SAT solver selection methods all rely on some hand-picked instance features, which are costly to compute and ignore the structural information in SAT graphs. In this paper we present GraSS, a novel approach for automatic SAT solver selection based on tripartite graph representations of instances and a heterogeneous graph neural network (GNN) model. While GNNs have been previously adopted in other SAT-related tasks, they do not incorporate any domain-specific knowledge and ignore the runtime variation introduced by different clause orders. We enrich the graph representation with domain-specific decisions, such as novel node feature design, positional encodings for clauses in the graph, a GNN architecture tailored to our tripartite graphs and a runtime-sensitive loss function. Through extensive experiments, we demonstrate that this combination of raw representations and domain-specific choices leads to improvements in runtime for a pool of seven state-of-the-art solvers on both an industrial circuit design benchmark, and on instances from the 20-year Anniversary Track of the 2022 SAT Competition.

Reza Moravej, Saurabh Bodhe, Zhanguang Zhang et al.

Logic synthesis is a crucial phase in the circuit design process, responsible for transforming hardware description language (HDL) designs into optimized netlists. However, traditional logic synthesis methods are computationally intensive, restricting their iterative use in refining chip designs. Recent advancements in large language models (LLMs), particularly those fine-tuned on programming languages, present a promising alternative. This work proposes augmenting LLMs with predictor networks trained to estimate circuit quality directly from HDL code. To enhance performance, the model is regularized using embeddings from graph neural networks (GNNs) trained on Look-Up Table (LUT) graphs, thereby incorporating lower-level circuit insights. The proposed method demonstrates superior performance compared to existing graph-based RTL-level estimation techniques on the established benchmark OpenABCD, while providing instant feedback on HDL code quality.

Soumyasundar Pal, Didier Chételat, Yingxue Zhang et al.

Large Language Models (LLMs) have exhibited an impressive capability to perform reasoning tasks, especially if they are encouraged to generate a sequence of intermediate steps. Reasoning performance can be improved by suitably combining multiple LLM responses, generated either in parallel in a single query, or via sequential interactions with LLMs throughout the reasoning process. Existing strategies for combination, such as self-consistency and progressive-hint-prompting, make inefficient usage of the LLM responses. We present Refined Answer Distributions, a novel and principled algorithmic framework to enhance the reasoning capabilities of LLMs. Our approach can be viewed as an iterative sampling strategy for forming a Monte Carlo approximation of an underlying distribution of answers, with the goal of identifying the mode -- the most likely answer. Empirical evaluation on several reasoning benchmarks demonstrates the superiority of the proposed approach.

Didier Chételat, Joseph Cotnareanu, Rylee Thompson et al.

Large language models (LLMs) contain substantial factual knowledge which is commonly elicited by multiple-choice question-answering prompts. Internally, such models process the prompt through multiple transformer layers, building varying representations of the problem within its hidden states. Ultimately, however, only the hidden state corresponding to the final layer and token position are used to predict the answer label. In this work, we propose instead to learn a small separate neural network predictor module on a collection of training questions, that take the hidden states from all the layers at the last temporal position as input and outputs predictions. In effect, such a framework disentangles the representational abilities of LLMs from their predictive abilities. On a collection of hard benchmarks, our method achieves considerable improvements in performance, sometimes comparable to supervised fine-tuning procedures, but at a fraction of the computational cost.

Antoine Prouvost, Justin Dumouchelle, Maxime Gasse et al.

In this paper we describe Ecole (Extensible Combinatorial Optimization Learning Environments), a library to facilitate integration of machine learning in combinatorial optimization solvers. It exposes sequential decision making that must be performed in the process of solving as Markov decision processes. This means that, rather than trying to predict solutions to combinatorial optimization problems directly, Ecole allows machine learning to work in cooperation with a state-of-the-art a mixed-integer linear programming solver that acts as a controllable algorithm. Ecole provides a collection of computationally efficient, ready to use learning environments, which are also easy to extend to define novel training tasks. Documentation and code can be found at https://www.ecole.ai.

Quentin Cappart, Didier Chételat, Elias Khalil et al.

Combinatorial optimization is a well-established area in operations research and computer science. Until recently, its methods have focused on solving problem instances in isolation, ignoring that they often stem from related data distributions in practice. However, recent years have seen a surge of interest in using machine learning, especially graph neural networks (GNNs), as a key building block for combinatorial tasks, either directly as solvers or by enhancing exact solvers. The inductive bias of GNNs effectively encodes combinatorial and relational input due to their invariance to permutations and awareness of input sparsity. This paper presents a conceptual review of recent key advancements in this emerging field, aiming at optimization and machine learning researchers.

Antoine Prouvost, Justin Dumouchelle, Lara Scavuzzo et al.

We present Ecole, a new library to simplify machine learning research for combinatorial optimization. Ecole exposes several key decision tasks arising in general-purpose combinatorial optimization solvers as control problems over Markov decision processes. Its interface mimics the popular OpenAI Gym library and is both extensible and intuitive to use. We aim at making this library a standardized platform that will lower the bar of entry and accelerate innovation in the field. Documentation and code can be found at https://www.ecole.ai.

Aurélien Serre, Didier Chételat, Andrea Lodi

Many offline unsupervised change point detection algorithms rely on minimizing a penalized sum of segment-wise costs. We extend this framework by proposing to minimize a sum of discrepancies between segments. In particular, we propose to select the change points so as to maximize the cross-entropy between successive segments, balanced by a penalty for introducing new change points. We propose a dynamic programming algorithm to solve this problem and analyze its complexity. Experiments on two challenging datasets demonstrate the advantages of our method compared to three state-of-the-art approaches.