Maxime Gasse

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.

Léo Milecki, Jonathan Porée, Hatim Belgharbi et al. · mila

Ultrasound Localization Microscopy can resolve the microvascular bed down to a few micrometers. To achieve such performance microbubble contrast agents must perfuse the entire microvascular network. Microbubbles are then located individually and tracked over time to sample individual vessels, typically over hundreds of thousands of images. To overcome the fundamental limit of diffraction and achieve a dense reconstruction of the network, low microbubble concentrations must be used, which lead to acquisitions lasting several minutes. Conventional processing pipelines are currently unable to deal with interference from multiple nearby microbubbles, further reducing achievable concentrations. This work overcomes this problem by proposing a Deep Learning approach to recover dense vascular networks from ultrasound acquisitions with high microbubble concentrations. A realistic mouse brain microvascular network, segmented from 2-photon microscopy, was used to train a three-dimensional convolutional neural network based on a V-net architecture. Ultrasound data sets from multiple microbubbles flowing through the microvascular network were simulated and used as ground truth to train the 3D CNN to track microbubbles. The 3D-CNN approach was validated in silico using a subset of the data and in vivo on a rat brain acquisition. In silico, the CNN reconstructed vascular networks with higher precision (81%) than a conventional ULM framework (70%). In vivo, the CNN could resolve micro vessels as small as 10 $μ$m with an increase in resolution when compared against a conventional approach.

Prateek Gupta, Elias B. Khalil, Didier Chetélat et al. · utoronto

The expressive and computationally inexpensive bipartite Graph Neural Networks (GNN) have been shown to be an important component of deep learning based Mixed-Integer Linear Program (MILP) solvers. Recent works have demonstrated the effectiveness of such GNNs in replacing the branching (variable selection) heuristic in branch-and-bound (B&B) solvers. These GNNs are trained, offline and on a collection of MILPs, to imitate a very good but computationally expensive branching heuristic, strong branching. Given that B&B results in a tree of sub-MILPs, we ask (a) whether there are strong dependencies exhibited by the target heuristic among the neighboring nodes of the B&B tree, and (b) if so, whether we can incorporate them in our training procedure. Specifically, we find that with the strong branching heuristic, a child node's best choice was often the parent's second-best choice. We call this the "lookback" phenomenon. Surprisingly, the typical branching GNN of Gasse et al. (2019) often misses this simple "answer". To imitate the target behavior more closely by incorporating the lookback phenomenon in GNNs, we propose two methods: (a) target smoothing for the standard cross-entropy loss function, and (b) adding a Parent-as-Target (PAT) Lookback regularizer term. Finally, we propose a model selection framework to incorporate harder-to-formulate objectives such as solving time in the final models. Through extensive experimentation on standard benchmark instances, we show that our proposal results in up to 22% decrease in the size of the B&B tree and up to 15% improvement in the solving times.

Léo Boisvert, Megh Thakkar, Maxime Gasse et al.

The ability of large language models (LLMs) to mimic human-like intelligence has led to a surge in LLM-based autonomous agents. Though recent LLMs seem capable of planning and reasoning given user instructions, their effectiveness in applying these capabilities for autonomous task solving remains underexplored. This is especially true in enterprise settings, where automated agents hold the promise of a high impact. To fill this gap, we propose WorkArena++, a novel benchmark consisting of 682 tasks corresponding to realistic workflows routinely performed by knowledge workers. WorkArena++ is designed to evaluate the planning, problem-solving, logical/arithmetic reasoning, retrieval, and contextual understanding abilities of web agents. Our empirical studies across state-of-the-art LLMs and vision-language models (VLMs), as well as human workers, reveal several challenges for such models to serve as useful assistants in the workplace. In addition to the benchmark, we provide a mechanism to effortlessly generate thousands of ground-truth observation/action traces, which can be used for fine-tuning existing models. Overall, we expect this work to serve as a useful resource to help the community progress toward capable autonomous agents. The benchmark can be found at https://github.com/ServiceNow/WorkArena.

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.

Alexandre Drouin, Maxime Gasse, Massimo Caccia et al.

We study the use of large language model-based agents for interacting with software via web browsers. Unlike prior work, we focus on measuring the agents' ability to perform tasks that span the typical daily work of knowledge workers utilizing enterprise software systems. To this end, we propose WorkArena, a remote-hosted benchmark of 33 tasks based on the widely-used ServiceNow platform. We also introduce BrowserGym, an environment for the design and evaluation of such agents, offering a rich set of actions as well as multimodal observations. Our empirical evaluation reveals that while current agents show promise on WorkArena, there remains a considerable gap towards achieving full task automation. Notably, our analysis uncovers a significant performance disparity between open and closed-source LLMs, highlighting a critical area for future exploration and development in the field.

Prateek Gupta, Maxime Gasse, Elias B. Khalil et al.

A recent Graph Neural Network (GNN) approach for learning to branch has been shown to successfully reduce the running time of branch-and-bound algorithms for Mixed Integer Linear Programming (MILP). While the GNN relies on a GPU for inference, MILP solvers are purely CPU-based. This severely limits its application as many practitioners may not have access to high-end GPUs. In this work, we ask two key questions. First, in a more realistic setting where only a CPU is available, is the GNN model still competitive? Second, can we devise an alternate computationally inexpensive model that retains the predictive power of the GNN architecture? We answer the first question in the negative, and address the second question by proposing a new hybrid architecture for efficient branching on CPU machines. The proposed architecture combines the expressive power of GNNs with computationally inexpensive multi-layer perceptrons (MLP) for branching. We evaluate our methods on four classes of MILP problems, and show that they lead to up to 26% reduction in solver running time compared to state-of-the-art methods without a GPU, while extrapolating to harder problems than it was trained on. The code for this project is publicly available at https://github.com/pg2455/Hybrid-learn2branch.

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.

Thibault Le Sellier De Chezelles, Maxime Gasse, Alexandre Drouin et al. · mila

The BrowserGym ecosystem addresses the growing need for efficient evaluation and benchmarking of web agents, particularly those leveraging automation and Large Language Models (LLMs). Many existing benchmarks suffer from fragmentation and inconsistent evaluation methodologies, making it challenging to achieve reliable comparisons and reproducible results. In an earlier work, Drouin et al. (2024) introduced BrowserGym which aims to solve this by providing a unified, gym-like environment with well-defined observation and action spaces, facilitating standardized evaluation across diverse benchmarks. We propose an extended BrowserGym-based ecosystem for web agent research, which unifies existing benchmarks from the literature and includes AgentLab, a complementary framework that aids in agent creation, testing, and analysis. Our proposed ecosystem offers flexibility for integrating new benchmarks while ensuring consistent evaluation and comprehensive experiment management. As a supporting evidence, we conduct the first large-scale, multi-benchmark web agent experiment and compare the performance of 6 state-of-the-art LLMs across 6 popular web agent benchmarks made available in BrowserGym. Among other findings, our results highlight a large discrepancy between OpenAI and Anthropic's latests models, with Claude-3.5-Sonnet leading the way on almost all benchmarks, except on vision-related tasks where GPT-4o is superior. Despite these advancements, our results emphasize that building robust and efficient web agents remains a significant challenge, due to the inherent complexity of real-world web environments and the limitations of current models.

Brice Rauby, Paul Xing, Jonathan Porée et al.

Ultrasound Localization Microscopy (ULM) is a non-invasive technique that allows for the imaging of micro-vessels in vivo, at depth and with a resolution on the order of ten microns. ULM is based on the sub-resolution localization of individual microbubbles injected in the bloodstream. Mapping the whole angioarchitecture requires the accumulation of microbubbles trajectories from thousands of frames, typically acquired over a few minutes. ULM acquisition times can be reduced by increasing the microbubble concentration, but requires more advanced algorithms to detect them individually. Several deep learning approaches have been proposed for this task, but they remain limited to 2D imaging, in part due to the associated large memory requirements. Herein, we propose to use sparse tensor neural networks to reduce memory usage in 2D and to improve the scaling of the memory requirement for the extension of deep learning architecture to 3D. We study several approaches to efficiently convert ultrasound data into a sparse format and study the impact of the associated loss of information. When applied in 2D, the sparse formulation reduces the memory requirements by a factor 2 at the cost of a small reduction of performance when compared against dense networks. In 3D, the proposed approach reduces memory requirements by two order of magnitude while largely outperforming conventional ULM in high concentration settings. We show that Sparse Tensor Neural Networks in 3D ULM allow for the same benefits as dense deep learning based method in 2D ULM i.e. the use of higher concentration in silico and reduced acquisition time.

Mohammad Reza Samsami, Mats Leon Richter, Juan Rodriguez et al. · mila

Large language models must balance their weight-encoded knowledge with in-context information from prompts to generate accurate responses. This paper investigates this interplay by analyzing how models of varying capacities within the same family handle intentionally misleading in-context information. Our experiments demonstrate that larger models exhibit higher resilience to deceptive prompts, showcasing an advanced ability to interpret and integrate prompt information with their internal knowledge. Furthermore, we find that larger models outperform smaller ones in following legitimate instructions, indicating that their resilience is not due to disregarding in-context information. We also show that this phenomenon is likely not a result of memorization but stems from the models' ability to better leverage implicit task-relevant information from the prompt alongside their internally stored knowledge.

Maxime Gasse, Damien Grasset, Guillaume Gaudron et al.

Learning efficiently a causal model of the environment is a key challenge of model-based RL agents operating in POMDPs. We consider here a scenario where the learning agent has the ability to collect online experiences through direct interactions with the environment (interventional data), but has also access to a large collection of offline experiences, obtained by observing another agent interacting with the environment (observational data). A key ingredient, that makes this situation non-trivial, is that we allow the observed agent to interact with the environment based on hidden information, which is not observed by the learning agent. We then ask the following questions: can the online and offline experiences be safely combined for learning a causal model ? And can we expect the offline experiences to improve the agent's performances ? To answer these questions, we import ideas from the well-established causal framework of do-calculus, and we express model-based reinforcement learning as a causal inference problem. Then, we propose a general yet simple methodology for leveraging offline data during learning. In a nutshell, the method relies on learning a latent-based causal transition model that explains both the interventional and observational regimes, and then using the recovered latent variable to infer the standard POMDP transition model via deconfounding. We prove our method is correct and efficient in the sense that it attains better generalization guarantees due to the offline data (in the asymptotic case), and we illustrate its effectiveness empirically on synthetic toy problems. Our contribution aims at bridging the gap between the fields of reinforcement learning and causality.

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.

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.

Maxime Gasse, Alex Aussem

We discuss a method to improve the exact F-measure maximization algorithm called GFM, proposed in (Dembczynski et al. 2011) for multi-label classification, assuming the label set can be can partitioned into conditionally independent subsets given the input features. If the labels were all independent, the estimation of only $m$ parameters ($m$ denoting the number of labels) would suffice to derive Bayes-optimal predictions in $O(m^2)$ operations. In the general case, $m^2+1$ parameters are required by GFM, to solve the problem in $O(m^3)$ operations. In this work, we show that the number of parameters can be reduced further to $m^2/n$, in the best case, assuming the label set can be partitioned into $n$ conditionally independent subsets. As this label partition needs to be estimated from the data beforehand, we use first the procedure proposed in (Gasse et al. 2015) that finds such partition and then infer the required parameters locally in each label subset. The latter are aggregated and serve as input to GFM to form the Bayes-optimal prediction. We show on a synthetic experiment that the reduction in the number of parameters brings about significant benefits in terms of performance.

Maxime Gasse, Alex Aussem, Haytham Elghazel

We present a novel hybrid algorithm for Bayesian network structure learning, called H2PC. It first reconstructs the skeleton of a Bayesian network and then performs a Bayesian-scoring greedy hill-climbing search to orient the edges. The algorithm is based on divide-and-conquer constraint-based subroutines to learn the local structure around a target variable. We conduct two series of experimental comparisons of H2PC against Max-Min Hill-Climbing (MMHC), which is currently the most powerful state-of-the-art algorithm for Bayesian network structure learning. First, we use eight well-known Bayesian network benchmarks with various data sizes to assess the quality of the learned structure returned by the algorithms. Our extensive experiments show that H2PC outperforms MMHC in terms of goodness of fit to new data and quality of the network structure with respect to the true dependence structure of the data. Second, we investigate H2PC's ability to solve the multi-label learning problem. We provide theoretical results to characterize and identify graphically the so-called minimal label powersets that appear as irreducible factors in the joint distribution under the faithfulness condition. The multi-label learning problem is then decomposed into a series of multi-class classification problems, where each multi-class variable encodes a label powerset. H2PC is shown to compare favorably to MMHC in terms of global classification accuracy over ten multi-label data sets covering different application domains. Overall, our experiments support the conclusions that local structural learning with H2PC in the form of local neighborhood induction is a theoretically well-motivated and empirically effective learning framework that is well suited to multi-label learning. The source code (in R) of H2PC as well as all data sets used for the empirical tests are publicly available.

Maxime Gasse, Alex Aussem, Haytham Elghazel

We present a novel hybrid algorithm for Bayesian network structure learning, called Hybrid HPC (H2PC). It first reconstructs the skeleton of a Bayesian network and then performs a Bayesian-scoring greedy hill-climbing search to orient the edges. It is based on a subroutine called HPC, that combines ideas from incremental and divide-and-conquer constraint-based methods to learn the parents and children of a target variable. We conduct an experimental comparison of H2PC against Max-Min Hill-Climbing (MMHC), which is currently the most powerful state-of-the-art algorithm for Bayesian network structure learning, on several benchmarks with various data sizes. Our extensive experiments show that H2PC outperforms MMHC both in terms of goodness of fit to new data and in terms of the quality of the network structure itself, which is closer to the true dependence structure of the data. The source code (in R) of H2PC as well as all data sets used for the empirical tests are publicly available.