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Simon Lacoste-Julien

Simon Lacoste-Julien contributes to research discovery and scholarly infrastructure.

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Published work

25 published item(s)

preprint2026arXiv

Layerwise LQR for Geometry-Aware Optimization of Deep Networks

Geometry-aware optimizers such as Newton and natural gradient can improve conditioning in deep learning, but scalable variants such as K-FAC, Shampoo, and related preconditioners usually impose structural approximations early, often discarding cross-layer interactions induced by the network computation. We introduce Layerwise LQR (LLQR), a framework for learning structured inverse preconditioners under a global layerwise optimal-control objective. The starting point is an exact equivalence: the steepest-descent step under a broad class of divergence-induced quadratic models--including Newton, Gauss-Newton, Fisher/natural-gradient, and intermediate-layer metrics--can be written as a finite-horizon Linear Quadratic Regulator (LQR) problem. This formulation serves as a reference that exposes the layerwise dynamics and cost matrices encoding the original dense geometry. We then derive a scalable relaxation that learns diagonal, (E-)Kronecker-factored, or other structured inverse preconditioners by minimizing the LQR objective and reusing them across iterations. The resulting optimizer wraps standard methods while retaining a principled connection to second-order geometry, without forming or inverting the global curvature matrix. Experiments on ResNets and Transformers show that LLQR improves optimization dynamics and often translates these gains into improved final test performance, while adding only modest wall-clock overhead. It establishes LLQR as a practical framework for geometry-aware second-order methods and a reference for evaluating scalable approximations.

preprint2022arXiv

A Survey of Self-Supervised and Few-Shot Object Detection

Labeling data is often expensive and time-consuming, especially for tasks such as object detection and instance segmentation, which require dense labeling of the image. While few-shot object detection is about training a model on novel (unseen) object classes with little data, it still requires prior training on many labeled examples of base (seen) classes. On the other hand, self-supervised methods aim at learning representations from unlabeled data which transfer well to downstream tasks such as object detection. Combining few-shot and self-supervised object detection is a promising research direction. In this survey, we review and characterize the most recent approaches on few-shot and self-supervised object detection. Then, we give our main takeaways and discuss future research directions. Project page at https://gabrielhuang.github.io/fsod-survey/

preprint2022arXiv

Bayesian Structure Learning with Generative Flow Networks

In Bayesian structure learning, we are interested in inferring a distribution over the directed acyclic graph (DAG) structure of Bayesian networks, from data. Defining such a distribution is very challenging, due to the combinatorially large sample space, and approximations based on MCMC are often required. Recently, a novel class of probabilistic models, called Generative Flow Networks (GFlowNets), have been introduced as a general framework for generative modeling of discrete and composite objects, such as graphs. In this work, we propose to use a GFlowNet as an alternative to MCMC for approximating the posterior distribution over the structure of Bayesian networks, given a dataset of observations. Generating a sample DAG from this approximate distribution is viewed as a sequential decision problem, where the graph is constructed one edge at a time, based on learned transition probabilities. Through evaluation on both simulated and real data, we show that our approach, called DAG-GFlowNet, provides an accurate approximation of the posterior over DAGs, and it compares favorably against other methods based on MCMC or variational inference.

preprint2022arXiv

Disentanglement via Mechanism Sparsity Regularization: A New Principle for Nonlinear ICA

This work introduces a novel principle we call disentanglement via mechanism sparsity regularization, which can be applied when the latent factors of interest depend sparsely on past latent factors and/or observed auxiliary variables. We propose a representation learning method that induces disentanglement by simultaneously learning the latent factors and the sparse causal graphical model that relates them. We develop a rigorous identifiability theory, building on recent nonlinear independent component analysis (ICA) results, that formalizes this principle and shows how the latent variables can be recovered up to permutation if one regularizes the latent mechanisms to be sparse and if some graph connectivity criterion is satisfied by the data generating process. As a special case of our framework, we show how one can leverage unknown-target interventions on the latent factors to disentangle them, thereby drawing further connections between ICA and causality. We propose a VAE-based method in which the latent mechanisms are learned and regularized via binary masks, and validate our theory by showing it learns disentangled representations in simulations.

preprint2022arXiv

Multiset-Equivariant Set Prediction with Approximate Implicit Differentiation

Most set prediction models in deep learning use set-equivariant operations, but they actually operate on multisets. We show that set-equivariant functions cannot represent certain functions on multisets, so we introduce the more appropriate notion of multiset-equivariance. We identify that the existing Deep Set Prediction Network (DSPN) can be multiset-equivariant without being hindered by set-equivariance and improve it with approximate implicit differentiation, allowing for better optimization while being faster and saving memory. In a range of toy experiments, we show that the perspective of multiset-equivariance is beneficial and that our changes to DSPN achieve better results in most cases. On CLEVR object property prediction, we substantially improve over the state-of-the-art Slot Attention from 8% to 77% in one of the strictest evaluation metrics because of the benefits made possible by implicit differentiation.

preprint2022arXiv

On the Convergence of Continuous Constrained Optimization for Structure Learning

Recently, structure learning of directed acyclic graphs (DAGs) has been formulated as a continuous optimization problem by leveraging an algebraic characterization of acyclicity. The constrained problem is solved using the augmented Lagrangian method (ALM) which is often preferred to the quadratic penalty method (QPM) by virtue of its standard convergence result that does not require the penalty coefficient to go to infinity, hence avoiding ill-conditioning. However, the convergence properties of these methods for structure learning, including whether they are guaranteed to return a DAG solution, remain unclear, which might limit their practical applications. In this work, we examine the convergence of ALM and QPM for structure learning in the linear, nonlinear, and confounded cases. We show that the standard convergence result of ALM does not hold in these settings, and demonstrate empirically that its behavior is akin to that of the QPM which is prone to ill-conditioning. We further establish the convergence guarantee of QPM to a DAG solution, under mild conditions. Lastly, we connect our theoretical results with existing approaches to help resolve the convergence issue, and verify our findings in light of an empirical comparison of them.

preprint2022arXiv

Partial Disentanglement via Mechanism Sparsity

Disentanglement via mechanism sparsity was introduced recently as a principled approach to extract latent factors without supervision when the causal graph relating them in time is sparse, and/or when actions are observed and affect them sparsely. However, this theory applies only to ground-truth graphs satisfying a specific criterion. In this work, we introduce a generalization of this theory which applies to any ground-truth graph and specifies qualitatively how disentangled the learned representation is expected to be, via a new equivalence relation over models we call consistency. This equivalence captures which factors are expected to remain entangled and which are not based on the specific form of the ground-truth graph. We call this weaker form of identifiability partial disentanglement. The graphical criterion that allows complete disentanglement, proposed in an earlier work, can be derived as a special case of our theory. Finally, we enforce graph sparsity with constrained optimization and illustrate our theory and algorithm in simulations.

preprint2021arXiv

Adaptive Gradient Methods Converge Faster with Over-Parameterization (but you should do a line-search)

Adaptive gradient methods are typically used for training over-parameterized models. To better understand their behaviour, we study a simplistic setting -- smooth, convex losses with models over-parameterized enough to interpolate the data. In this setting, we prove that AMSGrad with constant step-size and momentum converges to the minimizer at a faster $O(1/T)$ rate. When interpolation is only approximately satisfied, constant step-size AMSGrad converges to a neighbourhood of the solution at the same rate, while AdaGrad is robust to the violation of interpolation. However, even for simple convex problems satisfying interpolation, the empirical performance of both methods heavily depends on the step-size and requires tuning, questioning their adaptivity. We alleviate this problem by automatically determining the step-size using stochastic line-search or Polyak step-sizes. With these techniques, we prove that both AdaGrad and AMSGrad retain their convergence guarantees, without needing to know problem-dependent constants. Empirically, we demonstrate that these techniques improve the convergence and generalization of adaptive gradient methods across tasks, from binary classification with kernel mappings to multi-class classification with deep networks.

preprint2021arXiv

Adversarial Example Games

The existence of adversarial examples capable of fooling trained neural network classifiers calls for a much better understanding of possible attacks to guide the development of safeguards against them. This includes attack methods in the challenging non-interactive blackbox setting, where adversarial attacks are generated without any access, including queries, to the target model. Prior attacks in this setting have relied mainly on algorithmic innovations derived from empirical observations (e.g., that momentum helps), lacking principled transferability guarantees. In this work, we provide a theoretical foundation for crafting transferable adversarial examples to entire hypothesis classes. We introduce Adversarial Example Games (AEG), a framework that models the crafting of adversarial examples as a min-max game between a generator of attacks and a classifier. AEG provides a new way to design adversarial examples by adversarially training a generator and a classifier from a given hypothesis class (e.g., architecture). We prove that this game has an equilibrium, and that the optimal generator is able to craft adversarial examples that can attack any classifier from the corresponding hypothesis class. We demonstrate the efficacy of AEG on the MNIST and CIFAR-10 datasets, outperforming prior state-of-the-art approaches with an average relative improvement of $29.9\%$ and $47.2\%$ against undefended and robust models (Table 2 & 3) respectively.

preprint2021arXiv

An Analysis of the Adaptation Speed of Causal Models

Consider a collection of datasets generated by unknown interventions on an unknown structural causal model $G$. Recently, Bengio et al. (2020) conjectured that among all candidate models, $G$ is the fastest to adapt from one dataset to another, along with promising experiments. Indeed, intuitively $G$ has less mechanisms to adapt, but this justification is incomplete. Our contribution is a more thorough analysis of this hypothesis. We investigate the adaptation speed of cause-effect SCMs. Using convergence rates from stochastic optimization, we justify that a relevant proxy for adaptation speed is distance in parameter space after intervention. Applying this proxy to categorical and normal cause-effect models, we show two results. When the intervention is on the cause variable, the SCM with the correct causal direction is advantaged by a large factor. When the intervention is on the effect variable, we characterize the relative adaptation speed. Surprisingly, we find situations where the anticausal model is advantaged, falsifying the initial hypothesis. Code to reproduce experiments is available at https://github.com/remilepriol/causal-adaptation-speed

preprint2021arXiv

Flight-connection Prediction for Airline Crew Scheduling to Construct Initial Clusters for OR Optimizer

We present a case study of using machine learning classification algorithms to initialize a large-scale commercial solver (GENCOL) based on column generation in the context of the airline crew pairing problem, where small savings of as little as 1% translate to increasing annual revenue by dozens of millions of dollars in a large airline. Under the imitation learning framework, we focus on the problem of predicting the next connecting flight of a crew, framed as a multiclass classification problem trained from historical data, and design an adapted neural network approach that achieves high accuracy (99.7% overall or 82.5% on harder instances). We demonstrate the usefulness of our approach by using simple heuristics to combine the flight-connection predictions to form initial crew-pairing clusters that can be fed in the GENCOL solver, yielding a 10x speed improvement and up to 0.2% cost saving.

preprint2021arXiv

Predicting Tactical Solutions to Operational Planning Problems under Imperfect Information

This paper offers a methodological contribution at the intersection of machine learning and operations research. Namely, we propose a methodology to quickly predict tactical solutions to a given operational problem. In this context, the tactical solution is less detailed than the operational one but it has to be computed in very short time and under imperfect information. The problem is of importance in various applications where tactical and operational planning problems are interrelated and information about the operational problem is revealed over time. This is for instance the case in certain capacity planning and demand management systems. We formulate the problem as a two-stage optimal prediction stochastic program whose solution we predict with a supervised machine learning algorithm. The training data set consists of a large number of deterministic (second stage) problems generated by controlled probabilistic sampling. The labels are computed based on solutions to the deterministic problems (solved independently and offline) employing appropriate aggregation and subselection methods to address uncertainty. Results on our motivating application in load planning for rail transportation show that deep learning algorithms produce highly accurate predictions in very short computing time (milliseconds or less). The prediction accuracy is comparable to solutions computed by sample average approximation of the stochastic program.

preprint2021arXiv

Predicting Tactical Solutions to Operational Planning Problems under Imperfect Information

This paper offers a methodological contribution at the intersection of machine learning and operations research. Namely, we propose a methodology to quickly predict expected tactical descriptions of operational solutions (TDOSs). The problem we address occurs in the context of two-stage stochastic programming where the second stage is demanding computationally. We aim to predict at a high speed the expected TDOS associated with the second stage problem, conditionally on the first stage variables. This may be used in support of the solution to the overall two-stage problem by avoiding the online generation of multiple second stage scenarios and solutions. We formulate the tactical prediction problem as a stochastic optimal prediction program, whose solution we approximate with supervised machine learning. The training dataset consists of a large number of deterministic operational problems generated by controlled probabilistic sampling. The labels are computed based on solutions to these problems (solved independently and offline), employing appropriate aggregation and subselection methods to address uncertainty. Results on our motivating application on load planning for rail transportation show that deep learning models produce accurate predictions in very short computing time (milliseconds or less). The predictive accuracy is close to the lower bounds calculated based on sample average approximation of the stochastic prediction programs.

preprint2020arXiv

A Closer Look at the Optimization Landscapes of Generative Adversarial Networks

Generative adversarial networks have been very successful in generative modeling, however they remain relatively challenging to train compared to standard deep neural networks. In this paper, we propose new visualization techniques for the optimization landscapes of GANs that enable us to study the game vector field resulting from the concatenation of the gradient of both players. Using these visualization techniques we try to bridge the gap between theory and practice by showing empirically that the training of GANs exhibits significant rotations around Local Stable Stationary Points (LSSP), similar to the one predicted by theory on toy examples. Moreover, we provide empirical evidence that GAN training converge to a stable stationary point which is a saddle point for the generator loss, not a minimum, while still achieving excellent performance.

preprint2020arXiv

A Tight and Unified Analysis of Gradient-Based Methods for a Whole Spectrum of Games

We consider differentiable games where the goal is to find a Nash equilibrium. The machine learning community has recently started using variants of the gradient method (GD). Prime examples are extragradient (EG), the optimistic gradient method (OG) and consensus optimization (CO), which enjoy linear convergence in cases like bilinear games, where the standard GD fails. The full benefits of theses relatively new methods are not known as there is no unified analysis for both strongly monotone and bilinear games. We provide new analyses of the EG's local and global convergence properties and use is to get a tighter global convergence rate for OG and CO. Our analysis covers the whole range of settings between bilinear and strongly monotone games. It reveals that these methods converge via different mechanisms at these extremes; in between, it exploits the most favorable mechanism for the given problem. We then prove that EG achieves the optimal rate for a wide class of algorithms with any number of extrapolations. Our tight analysis of EG's convergence rate in games shows that, unlike in convex minimization, EG may be much faster than GD.

preprint2020arXiv

A Variational Inequality Perspective on Generative Adversarial Networks

Generative adversarial networks (GANs) form a generative modeling approach known for producing appealing samples, but they are notably difficult to train. One common way to tackle this issue has been to propose new formulations of the GAN objective. Yet, surprisingly few studies have looked at optimization methods designed for this adversarial training. In this work, we cast GAN optimization problems in the general variational inequality framework. Tapping into the mathematical programming literature, we counter some common misconceptions about the difficulties of saddle point optimization and propose to extend techniques designed for variational inequalities to the training of GANs. We apply averaging, extrapolation and a computationally cheaper variant that we call extrapolation from the past to the stochastic gradient method (SGD) and Adam.

preprint2020arXiv

Accelerating Smooth Games by Manipulating Spectral Shapes

We use matrix iteration theory to characterize acceleration in smooth games. We define the spectral shape of a family of games as the set containing all eigenvalues of the Jacobians of standard gradient dynamics in the family. Shapes restricted to the real line represent well-understood classes of problems, like minimization. Shapes spanning the complex plane capture the added numerical challenges in solving smooth games. In this framework, we describe gradient-based methods, such as extragradient, as transformations on the spectral shape. Using this perspective, we propose an optimal algorithm for bilinear games. For smooth and strongly monotone operators, we identify a continuum between convex minimization, where acceleration is possible using Polyak's momentum, and the worst case where gradient descent is optimal. Finally, going beyond first-order methods, we propose an accelerated version of consensus optimization.

preprint2020arXiv

Are Few-Shot Learning Benchmarks too Simple ? Solving them without Task Supervision at Test-Time

We show that several popular few-shot learning benchmarks can be solved with varying degrees of success without using support set Labels at Test-time (LT). To this end, we introduce a new baseline called Centroid Networks, a modification of Prototypical Networks in which the support set labels are hidden from the method at test-time and have to be recovered through clustering. A benchmark that can be solved perfectly without LT does not require proper task adaptation and is therefore inadequate for evaluating few-shot methods. In practice, most benchmarks cannot be solved perfectly without LT, but running our baseline on any new combinations of architectures and datasets gives insights on the baseline performance to be expected from leveraging a good representation, before any adaptation to the test-time labels.

preprint2020arXiv

Fast and Furious Convergence: Stochastic Second Order Methods under Interpolation

We consider stochastic second-order methods for minimizing smooth and strongly-convex functions under an interpolation condition satisfied by over-parameterized models. Under this condition, we show that the regularized subsampled Newton method (R-SSN) achieves global linear convergence with an adaptive step-size and a constant batch-size. By growing the batch size for both the subsampled gradient and Hessian, we show that R-SSN can converge at a quadratic rate in a local neighbourhood of the solution. We also show that R-SSN attains local linear convergence for the family of self-concordant functions. Furthermore, we analyze stochastic BFGS algorithms in the interpolation setting and prove their global linear convergence. We empirically evaluate stochastic L-BFGS and a "Hessian-free" implementation of R-SSN for binary classification on synthetic, linearly-separable datasets and real datasets under a kernel mapping. Our experimental results demonstrate the fast convergence of these methods, both in terms of the number of iterations and wall-clock time.

preprint2020arXiv

GAIT: A Geometric Approach to Information Theory

We advocate the use of a notion of entropy that reflects the relative abundances of the symbols in an alphabet, as well as the similarities between them. This concept was originally introduced in theoretical ecology to study the diversity of ecosystems. Based on this notion of entropy, we introduce geometry-aware counterparts for several concepts and theorems in information theory. Notably, our proposed divergence exhibits performance on par with state-of-the-art methods based on the Wasserstein distance, but enjoys a closed-form expression that can be computed efficiently. We demonstrate the versatility of our method via experiments on a broad range of domains: training generative models, computing image barycenters, approximating empirical measures and counting modes.

preprint2020arXiv

Gradient-Based Neural DAG Learning

We propose a novel score-based approach to learning a directed acyclic graph (DAG) from observational data. We adapt a recently proposed continuous constrained optimization formulation to allow for nonlinear relationships between variables using neural networks. This extension allows to model complex interactions while avoiding the combinatorial nature of the problem. In addition to comparing our method to existing continuous optimization methods, we provide missing empirical comparisons to nonlinear greedy search methods. On both synthetic and real-world data sets, this new method outperforms current continuous methods on most tasks, while being competitive with existing greedy search methods on important metrics for causal inference.

preprint2020arXiv

Negative Momentum for Improved Game Dynamics

Games generalize the single-objective optimization paradigm by introducing different objective functions for different players. Differentiable games often proceed by simultaneous or alternating gradient updates. In machine learning, games are gaining new importance through formulations like generative adversarial networks (GANs) and actor-critic systems. However, compared to single-objective optimization, game dynamics are more complex and less understood. In this paper, we analyze gradient-based methods with momentum on simple games. We prove that alternating updates are more stable than simultaneous updates. Next, we show both theoretically and empirically that alternating gradient updates with a negative momentum term achieves convergence in a difficult toy adversarial problem, but also on the notoriously difficult to train saturating GANs.

preprint2020arXiv

Reducing Noise in GAN Training with Variance Reduced Extragradient

We study the effect of the stochastic gradient noise on the training of generative adversarial networks (GANs) and show that it can prevent the convergence of standard game optimization methods, while the batch version converges. We address this issue with a novel stochastic variance-reduced extragradient (SVRE) optimization algorithm, which for a large class of games improves upon the previous convergence rates proposed in the literature. We observe empirically that SVRE performs similarly to a batch method on MNIST while being computationally cheaper, and that SVRE yields more stable GAN training on standard datasets.

preprint2020arXiv

Stochastic Hamiltonian Gradient Methods for Smooth Games

The success of adversarial formulations in machine learning has brought renewed motivation for smooth games. In this work, we focus on the class of stochastic Hamiltonian methods and provide the first convergence guarantees for certain classes of stochastic smooth games. We propose a novel unbiased estimator for the stochastic Hamiltonian gradient descent (SHGD) and highlight its benefits. Using tools from the optimization literature we show that SHGD converges linearly to the neighbourhood of a stationary point. To guarantee convergence to the exact solution, we analyze SHGD with a decreasing step-size and we also present the first stochastic variance reduced Hamiltonian method. Our results provide the first global non-asymptotic last-iterate convergence guarantees for the class of stochastic unconstrained bilinear games and for the more general class of stochastic games that satisfy a "sufficiently bilinear" condition, notably including some non-convex non-concave problems. We supplement our analysis with experiments on stochastic bilinear and sufficiently bilinear games, where our theory is shown to be tight, and on simple adversarial machine learning formulations.

preprint2020arXiv

To Each Optimizer a Norm, To Each Norm its Generalization

We study the implicit regularization of optimization methods for linear models interpolating the training data in the under-parametrized and over-parametrized regimes. Since it is difficult to determine whether an optimizer converges to solutions that minimize a known norm, we flip the problem and investigate what is the corresponding norm minimized by an interpolating solution. Using this reasoning, we prove that for over-parameterized linear regression, projections onto linear spans can be used to move between different interpolating solutions. For under-parameterized linear classification, we prove that for any linear classifier separating the data, there exists a family of quadratic norms ||.||_P such that the classifier's direction is the same as that of the maximum P-margin solution. For linear classification, we argue that analyzing convergence to the standard maximum l2-margin is arbitrary and show that minimizing the norm induced by the data results in better generalization. Furthermore, for over-parameterized linear classification, projections onto the data-span enable us to use techniques from the under-parameterized setting. On the empirical side, we propose techniques to bias optimizers towards better generalizing solutions, improving their test performance. We validate our theoretical results via synthetic experiments, and use the neural tangent kernel to handle non-linear models.