Alexia Jolicoeur-Martineau

Vikram Voleti, Alexia Jolicoeur-Martineau, Christopher Pal

Video prediction is a challenging task. The quality of video frames from current state-of-the-art (SOTA) generative models tends to be poor and generalization beyond the training data is difficult. Furthermore, existing prediction frameworks are typically not capable of simultaneously handling other video-related tasks such as unconditional generation or interpolation. In this work, we devise a general-purpose framework called Masked Conditional Video Diffusion (MCVD) for all of these video synthesis tasks using a probabilistic conditional score-based denoising diffusion model, conditioned on past and/or future frames. We train the model in a manner where we randomly and independently mask all the past frames or all the future frames. This novel but straightforward setup allows us to train a single model that is capable of executing a broad range of video tasks, specifically: future/past prediction -- when only future/past frames are masked; unconditional generation -- when both past and future frames are masked; and interpolation -- when neither past nor future frames are masked. Our experiments show that this approach can generate high-quality frames for diverse types of videos. Our MCVD models are built from simple non-recurrent 2D-convolutional architectures, conditioning on blocks of frames and generating blocks of frames. We generate videos of arbitrary lengths autoregressively in a block-wise manner. Our approach yields SOTA results across standard video prediction and interpolation benchmarks, with computation times for training models measured in 1-12 days using $\le$ 4 GPUs. Project page: https://mask-cond-video-diffusion.github.io ; Code : https://github.com/voletiv/mcvd-pytorch

Alexia Jolicoeur-Martineau, Kilian Fatras, Tal Kachman

Tabular data is hard to acquire and is subject to missing values. This paper introduces a novel approach for generating and imputing mixed-type (continuous and categorical) tabular data utilizing score-based diffusion and conditional flow matching. In contrast to prior methods that rely on neural networks to learn the score function or the vector field, we adopt XGBoost, a widely used Gradient-Boosted Tree (GBT) technique. To test our method, we build one of the most extensive benchmarks for tabular data generation and imputation, containing 27 diverse datasets and 9 metrics. Through empirical evaluation across the benchmark, we demonstrate that our approach outperforms deep-learning generation methods in data generation tasks and remains competitive in data imputation. Notably, it can be trained in parallel using CPUs without requiring a GPU. Our Python and R code is available at https://github.com/SamsungSAILMontreal/ForestDiffusion.

Alexia Jolicoeur-Martineau, Emy Gervais, Kilian Fatras et al.

Ensemble methods combine the predictions of multiple models to improve performance, but they require significantly higher computation costs at inference time. To avoid these costs, multiple neural networks can be combined into one by averaging their weights. However, this usually performs significantly worse than ensembling. Weight averaging is only beneficial when different enough to benefit from combining them, but similar enough to average well. Based on this idea, we propose PopulAtion Parameter Averaging (PAPA): a method that combines the generality of ensembling with the efficiency of weight averaging. PAPA leverages a population of diverse models (trained on different data orders, augmentations, and regularizations) while slowly pushing the weights of the networks toward the population average of the weights. We also propose PAPA variants (PAPA-all, and PAPA-2) that average weights rarely rather than continuously; all methods increase generalization, but PAPA tends to perform best. PAPA reduces the performance gap between averaging and ensembling, increasing the average accuracy of a population of models by up to 0.8% on CIFAR-10, 1.9% on CIFAR-100, and 1.6% on ImageNet when compared to training independent (non-averaged) models.

Alexia Jolicoeur-Martineau, Alex Lamb, Vikas Verma et al. · mila

We propose a novel regularizer for supervised learning called Conditioning on Noisy Targets (CNT). This approach consists in conditioning the model on a noisy version of the target(s) (e.g., actions in imitation learning or labels in classification) at a random noise level (from small to large noise). At inference time, since we do not know the target, we run the network with only noise in place of the noisy target. CNT provides hints through the noisy label (with less noise, we can more easily infer the true target). This give two main benefits: 1) the top-down feedback allows the model to focus on simpler and more digestible sub-problems and 2) rather than learning to solve the task from scratch, the model will first learn to master easy examples (with less noise), while slowly progressing toward harder examples (with more noise).

Alexia Jolicoeur-Martineau, Aristide Baratin, Kisoo Kwon et al.

Generating novel molecules is challenging, with most representations leading to generative models producing many invalid molecules. Spanning Tree-based Graph Generation (STGG) is a promising approach to ensure the generation of valid molecules, outperforming state-of-the-art SMILES and graph diffusion models for unconditional generation. In the real world, we want to be able to generate molecules conditional on one or multiple desired properties rather than unconditionally. Thus, in this work, we extend STGG to multi-property-conditional generation. Our approach, STGG+, incorporates a modern Transformer architecture, random masking of properties during training (enabling conditioning on any subset of properties and classifier-free guidance), an auxiliary property-prediction loss (allowing the model to self-criticize molecules and select the best ones), and other improvements. We show that STGG+ achieves state-of-the-art performance on in-distribution and out-of-distribution conditional generation, and reward maximization.

Alexia Jolicoeur-Martineau, Kilian Fatras, Ke Li et al.

Diffusion Models (DMs) are powerful generative models that add Gaussian noise to the data and learn to remove it. We wanted to determine which noise distribution (Gaussian or non-Gaussian) led to better generated data in DMs. Since DMs do not work by design with non-Gaussian noise, we built a framework that allows reversing a diffusion process with non-Gaussian location-scale noise. We use that framework to show that the Gaussian distribution performs the best over a wide range of other distributions (Laplace, Uniform, t, Generalized-Gaussian).

Amin Sghaier, Ali Parviz, Alexia Jolicoeur-Martineau

Tiny Recursive Models (TRM) solve complex reasoning tasks with a fraction of the parameters of modern large language models (LLMs) by iteratively refining a latent state and final answer. While powerful, their deterministic recursion can lead to convergence at suboptimal solutions, without escape mechanism. A common workaround relies on task-specific input perturbations at test time combined with answer aggregation via voting. We introduce Probabilistic TRM (PTRM), a task-agnostic framework for test-time compute scaling that addresses this limitation through stochastic exploration. PTRM injects Gaussian noise at each deep recursion step, enabling parallel trajectories to explore diverse solution basins, and selects among them using the model's existing Q head (used for early stopping in the original TRM). Without requiring retraining or task-specific augmentations, PTRM enables substantial accuracy gains across benchmarks, including Sudoku-Extreme (87.4% to 98.75%) and on various puzzles from Pencil Puzzle Bench (62.6% to 91.2%). On the latter, PTRM achieves nearly double the accuracy of frontier LLMs (91.2% vs. 55.1%) at less than 0.0001x the cost, using only 7M parameters.

Mehdi Esmaeilzadeh, Alexia Jolicoeur-Martineau, Chirag Vashist et al.

Despite remarkable progress, image generation is far from solved. The dominant metric, FID, conflates sample fidelity with mode coverage and is close to being saturated. Yet a model can still exhibit mode collapse while achieving a low FID, since a handful of sharp, near-duplicate images can outscore a model that faithfully covers the full data distribution. We argue that precision and recall are essential complements to FID, and that because FID is already saturated, the more meaningful goal is to improve diversity and coverage. Achieving high recall requires a model that explicitly prioritizes mode coverage, unlike most generative models, which optimize sample fidelity. We introduce RTM, which replaces the single-pass latent mapping in style-based generators with an iterative refinement process, and show that this consistently improves both quality and diversity. Integrated with Implicit Maximum Likelihood Estimation (IMLE), which optimizes mode coverage by design, RTM achieves the highest precision and recall among current state-of-the-art approaches while maintaining competitive FID, with improvements across CIFAR-10, CelebA-HQ at 256x256, and nine few-shot benchmarks. RTM also improves StyleGAN2 and StyleGAN2-ADA on CIFAR-10 and AFHQ-v1 at 512x512, demonstrating that the benefit is not specific to IMLE. Unlike flow-matching baselines that achieve competitive FID at the expense of coverage, recursive refinement improves both quality and diversity simultaneously.

Alexia Jolicoeur-Martineau, Yan Zhang, Boris Knyazev et al.

Generating novel molecules with out-of-distribution properties is a major challenge in molecular discovery. While supervised learning methods generate high-quality molecules similar to those in a dataset, they struggle to generalize to out-of-distribution properties. Reinforcement learning can explore new chemical spaces but often conducts 'reward-hacking' and generates non-synthesizable molecules. In this work, we address this problem by integrating a state-of-the-art supervised learning method, STGG+, in an active learning loop. Our approach iteratively generates, evaluates, and fine-tunes STGG+ to continuously expand its knowledge. We denote this approach STGG+AL. We apply STGG+AL to the design of organic $π$-functional materials, specifically two challenging tasks: 1) generating highly absorptive molecules characterized by high oscillator strength and 2) designing absorptive molecules with reasonable oscillator strength in the near-infrared (NIR) range. The generated molecules are validated and rationalized in-silico with time-dependent density functional theory. Our results demonstrate that our method is highly effective in generating novel molecules with high oscillator strength, contrary to existing methods such as reinforcement learning (RL) methods. We open-source our active-learning code along with our Conjugated-xTB dataset containing 2.9 million $π$-conjugated molecules and the function for approximating the oscillator strength and absorption wavelength (based on sTDA-xTB).

Tianyue H. Zhang, Lucas Maes, Alan Milligan et al. · mila

Despite its widespread adoption, Adam's advantage over Stochastic Gradient Descent (SGD) lacks a comprehensive theoretical explanation. This paper investigates Adam's sensitivity to rotations of the parameter space. We observe that Adam's performance in training transformers degrades under random rotations of the parameter space, indicating a crucial sensitivity to the choice of basis in practice. This reveals that conventional rotation-invariant assumptions are insufficient to capture Adam's advantages theoretically. To better understand the rotation-dependent properties that benefit Adam, we also identify structured rotations that preserve or even enhance its empirical performance. We then examine the rotation-dependent assumptions in the literature and find that they fall short in explaining Adam's behaviour across various rotation types. In contrast, we verify the orthogonality of the update as a promising indicator of Adam's basis sensitivity, suggesting it may be the key quantity for developing rotation-dependent theoretical frameworks that better explain its empirical success.

Ange-Clément Akazan, Alexia Jolicoeur-Martineau, Ioannis Mitliagkas

Privacy and regulatory constraints make data generation vital to advancing machine learning without relying on real-world datasets. A leading approach for tabular data generation is the Forest Flow (FF) method, which combines Flow Matching with XGBoost. Despite its good performance, FF is slow and makes errors when treating categorical variables as one-hot continuous features. It is also highly sensitive to small changes in the initial conditions of the ordinary differential equation (ODE). To overcome these limitations, we develop Heterogeneous Sequential Feature Forest Flow (HS3F). Our method generates data sequentially (feature-by-feature), reducing the dependency on noisy initial conditions through the additional information from previously generated features. Furthermore, it generates categorical variables using multinomial sampling (from an XGBoost classifier) instead of flow matching, improving generation speed. We also use a Runge-Kutta 4th order (Rg4) ODE solver for improved performance over the Euler solver used in FF. Our experiments with 25 datasets reveal that HS3F produces higher quality and more diverse synthetic data than FF, especially for categorical variables. It also generates data 21-27 times faster for datasets with $\geq20%$ categorical variables. HS3F further demonstrates enhanced robustness to affine transformation in flow ODE initial conditions compared to FF. This study not only validates the HS3F but also unveils promising new strategies to advance generative models.

Sacha Morin, Moonsub Byeon, Alexia Jolicoeur-Martineau et al.

Semi-supervised imitation learning (SSIL) consists in learning a policy from a small dataset of action-labeled trajectories and a much larger dataset of action-free trajectories. Some SSIL methods learn an inverse dynamics model (IDM) to predict the action from the current state and the next state. An IDM can act as a policy when paired with a video model (VM-IDM) or as a label generator to perform behavior cloning on action-free data (IDM labeling). In this work, we first show that VM-IDM and IDM labeling learn the same policy in a limit case, which we call the IDM-based policy. We then argue that the previously observed advantage of IDM-based policies over behavior cloning is due to the superior sample efficiency of IDM learning, which we attribute to two causes: (i) the ground-truth IDM tends to be contained in a lower complexity hypothesis class relative to the expert policy, and (ii) the ground-truth IDM is often less stochastic than the expert policy. We argue these claims based on insights from statistical learning theory and novel experiments, including a study of IDM-based policies using recent architectures for unified video-action prediction (UVA). Motivated by these insights, we finally propose an improved version of the existing LAPO algorithm for latent action policy learning.

Alexia Jolicoeur-Martineau

Hierarchical Reasoning Model (HRM) is a novel approach using two small neural networks recursing at different frequencies. This biologically inspired method beats Large Language models (LLMs) on hard puzzle tasks such as Sudoku, Maze, and ARC-AGI while trained with small models (27M parameters) on small data (around 1000 examples). HRM holds great promise for solving hard problems with small networks, but it is not yet well understood and may be suboptimal. We propose Tiny Recursive Model (TRM), a much simpler recursive reasoning approach that achieves significantly higher generalization than HRM, while using a single tiny network with only 2 layers. With only 7M parameters, TRM obtains 45% test-accuracy on ARC-AGI-1 and 8% on ARC-AGI-2, higher than most LLMs (e.g., Deepseek R1, o3-mini, Gemini 2.5 Pro) with less than 0.01% of the parameters.

Alexia Jolicoeur-Martineau

While AI excels at generating text, audio, images, and videos, creating interactive audio-visual content such as video games remains challenging. Current LLMs can generate JavaScript games and animations, but lack automated evaluation metrics and struggle with complex content that normally requires teams of humans working for many months (multi-shot, multi-agents) using assets made by artists. To tackle these issues, we built a new metric and a multi-agent system. We propose AVR-Eval, a relative metric for multimedia content quality using Audio-Visual Recordings (AVRs). An omni-modal model (processing text, video, and audio) compares the AVRs of two contents, with a text model reviewing evaluations to determine superiority. We show that AVR-Eval properly identifies good from broken or mismatched content. We built AVR-Agent, a multi-agent system generating JavaScript code from a bank of multimedia assets (audio, images, 3D models). The coding agent selects relevant assets, generates multiple initial codes, uses AVR-Eval to identify the best version, and iteratively improves it through omni-modal agent feedback from the AVR. We run experiments on games and animations with AVR-Eval (win rate of content A against B). We find that content generated by AVR-Agent has a significantly higher win rate against content made through one-shot generation. However, models struggle to leverage custom assets and AVR feedback effectively, showing no higher win rate. This reveals a critical gap: while humans benefit from high-quality assets and audio-visual feedback, current coding models do not seem to utilize these resources as effectively, highlighting fundamental differences between human and machine content creation approaches.

Anthony Gosselin, Ge Ya Luo, Luis Lara et al.

Video diffusion techniques have advanced significantly in recent years; however, they struggle to generate realistic imagery of car crashes due to the scarcity of accident events in most driving datasets. Improving traffic safety requires realistic and controllable accident simulations. To tackle the problem, we propose Ctrl-Crash, a controllable car crash video generation model that conditions on signals such as bounding boxes, crash types, and an initial image frame. Our approach enables counterfactual scenario generation where minor variations in input can lead to dramatically different crash outcomes. To support fine-grained control at inference time, we leverage classifier-free guidance with independently tunable scales for each conditioning signal. Ctrl-Crash achieves state-of-the-art performance across quantitative video quality metrics (e.g., FVD and JEDi) and qualitative measurements based on a human-evaluation of physical realism and video quality compared to prior diffusion-based methods.

Ge Ya Luo, Zhi Hao Luo, Anthony Gosselin et al.

Controllable video generation has attracted significant attention, largely due to advances in video diffusion models. In domains such as autonomous driving, it is essential to develop highly accurate predictions for object motions. This paper tackles a crucial challenge of how to exert precise control over object motion for realistic video synthesis. To accomplish this, we 1) control object movements using bounding boxes and extend this control to the renderings of 2D or 3D boxes in pixel space, 2) employ a distinct, specialized model to forecast the trajectories of object bounding boxes based on their previous and, if desired, future positions, and 3) adapt and enhance a separate video diffusion network to create video content based on these high quality trajectory forecasts. Our method, Ctrl-V, leverages modified and fine-tuned Stable Video Diffusion (SVD) models to solve both trajectory and video generation. Extensive experiments conducted on the KITTI, Virtual-KITTI 2, BDD100k, and nuScenes datasets validate the effectiveness of our approach in producing realistic and controllable video generation.

Alexia Jolicoeur-Martineau, Ke Li, Rémi Piché-Taillefer et al.

Score-based (denoising diffusion) generative models have recently gained a lot of success in generating realistic and diverse data. These approaches define a forward diffusion process for transforming data to noise and generate data by reversing it (thereby going from noise to data). Unfortunately, current score-based models generate data very slowly due to the sheer number of score network evaluations required by numerical SDE solvers. In this work, we aim to accelerate this process by devising a more efficient SDE solver. Existing approaches rely on the Euler-Maruyama (EM) solver, which uses a fixed step size. We found that naively replacing it with other SDE solvers fares poorly - they either result in low-quality samples or become slower than EM. To get around this issue, we carefully devise an SDE solver with adaptive step sizes tailored to score-based generative models piece by piece. Our solver requires only two score function evaluations, rarely rejects samples, and leads to high-quality samples. Our approach generates data 2 to 10 times faster than EM while achieving better or equal sample quality. For high-resolution images, our method leads to significantly higher quality samples than all other methods tested. Our SDE solver has the benefit of requiring no step size tuning.

Alexia Jolicoeur-Martineau, Rémi Piché-Taillefer, Rémi Tachet des Combes et al.

Denoising Score Matching with Annealed Langevin Sampling (DSM-ALS) has recently found success in generative modeling. The approach works by first training a neural network to estimate the score of a distribution, and then using Langevin dynamics to sample from the data distribution assumed by the score network. Despite the convincing visual quality of samples, this method appears to perform worse than Generative Adversarial Networks (GANs) under the Fréchet Inception Distance, a standard metric for generative models. We show that this apparent gap vanishes when denoising the final Langevin samples using the score network. In addition, we propose two improvements to DSM-ALS: 1) Consistent Annealed Sampling as a more stable alternative to Annealed Langevin Sampling, and 2) a hybrid training formulation, composed of both Denoising Score Matching and adversarial objectives. By combining these two techniques and exploring different network architectures, we elevate score matching methods and obtain results competitive with state-of-the-art image generation on CIFAR-10.

Nicolas Loizou, Hugo Berard, Alexia Jolicoeur-Martineau et al.

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.

Alexia Jolicoeur-Martineau, Ioannis Mitliagkas

A popular heuristic for improved performance in Generative adversarial networks (GANs) is to use some form of gradient penalty on the discriminator. This gradient penalty was originally motivated by a Wasserstein distance formulation. However, the use of gradient penalty in other GAN formulations is not well motivated. We present a unifying framework of expected margin maximization and show that a wide range of gradient-penalized GANs (e.g., Wasserstein, Standard, Least-Squares, and Hinge GANs) can be derived from this framework. Our results imply that employing gradient penalties induces a large-margin classifier (thus, a large-margin discriminator in GANs). We describe how expected margin maximization helps reduce vanishing gradients at fake (generated) samples, a known problem in GANs. From this framework, we derive a new $L^\infty$ gradient norm penalty with Hinge loss which generally produces equally good (or better) generated output in GANs than $L^2$-norm penalties (based on the Fréchet Inception Distance).

Alexia Jolicoeur-Martineau

This paper provides a more rigorous look at Relativistic Generative Adversarial Networks (RGANs). We prove that the objective function of the discriminator is a statistical divergence for any concave function $f$ with minimal properties ($f(0)=0$, $f'(0) \neq 0$, $\sup_x f(x)>0$). We also devise a few variants of relativistic $f$-divergences. Wasserstein GAN was originally justified by the idea that the Wasserstein distance (WD) is most sensible because it is weak (i.e., it induces a weak topology). We show that the WD is weaker than $f$-divergences which are weaker than relativistic $f$-divergences. Given the good performance of RGANs, this suggests that WGAN does not performs well primarily because of the weak metric, but rather because of regularization and the use of a relativistic discriminator. We also take a closer look at estimators of relativistic $f$-divergences. We introduce the minimum-variance unbiased estimator (MVUE) for Relativistic paired GANs (RpGANs; originally called RGANs which could bring confusion) and show that it does not perform better. Furthermore, we show that the estimator of Relativistic average GANs (RaGANs) is only asymptotically unbiased, but that the finite-sample bias is small. Removing this bias does not improve performance.

Alexia Jolicoeur-Martineau

Generative adversarial networks (GANs) can be interpreted as an adversarial game between two players, a discriminator D and a generator G, in which D learns to classify real from fake data and G learns to generate realistic data by "fooling" D into thinking that fake data is actually real data. Currently, a dominating view is that G actually learns by minimizing a divergence given that the general objective function is a divergence when D is optimal. However, this view has been challenged due to inconsistencies between theory and practice. In this paper, we discuss of the properties associated with most loss functions for G (e.g., saturating/non-saturating f-GAN, LSGAN, WGAN, etc.). We show that these loss functions are not divergences and do not have the same equilibrium as expected of divergences. This suggests that G does not need to minimize the same objective function as D maximize, nor maximize the objective of D after swapping real data with fake data (non-saturating GAN) but can instead use a wide range of possible loss functions to learn to generate realistic data. We define GANs through two separate and independent D maximization and G minimization steps. We generalize the generator step to four new classes of loss functions, most of which are actual divergences (while traditional G loss functions are not). We test a wide variety of loss functions from these four classes on a synthetic dataset and on CIFAR-10. We observe that most loss functions converge well and provide comparable data generation quality to non-saturating GAN, LSGAN, and WGAN-GP generator loss functions, whether we use divergences or non-divergences. These results suggest that GANs do not conform well to the divergence minimization theory and form a much broader range of models than previously assumed.

Alexia Jolicoeur-Martineau

In standard generative adversarial network (SGAN), the discriminator estimates the probability that the input data is real. The generator is trained to increase the probability that fake data is real. We argue that it should also simultaneously decrease the probability that real data is real because 1) this would account for a priori knowledge that half of the data in the mini-batch is fake, 2) this would be observed with divergence minimization, and 3) in optimal settings, SGAN would be equivalent to integral probability metric (IPM) GANs. We show that this property can be induced by using a relativistic discriminator which estimate the probability that the given real data is more realistic than a randomly sampled fake data. We also present a variant in which the discriminator estimate the probability that the given real data is more realistic than fake data, on average. We generalize both approaches to non-standard GAN loss functions and we refer to them respectively as Relativistic GANs (RGANs) and Relativistic average GANs (RaGANs). We show that IPM-based GANs are a subset of RGANs which use the identity function. Empirically, we observe that 1) RGANs and RaGANs are significantly more stable and generate higher quality data samples than their non-relativistic counterparts, 2) Standard RaGAN with gradient penalty generate data of better quality than WGAN-GP while only requiring a single discriminator update per generator update (reducing the time taken for reaching the state-of-the-art by 400%), and 3) RaGANs are able to generate plausible high resolutions images (256x256) from a very small sample (N=2011), while GAN and LSGAN cannot; these images are of significantly better quality than the ones generated by WGAN-GP and SGAN with spectral normalization.