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Researcher profile

Yann LeCun

Yann LeCun contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
Machine LearningComputer VisionArtificial IntelligenceRoboticsmath.SP

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Published work

17 published item(s)

preprint2026arXiv

Crys-JEPA: Accelerating Crystal Discovery via Embedding Screening and Generative Refinement

De novo crystal generation seeks to discover materials that are not merely realistic, but also stable and novel. However, most existing generative models are trained to maximize the likelihood of observed crystals, which encourages samples to stay close to known materials yet not necessarily align with the criteria that matter in discovery. Through an empirical investigation, we show that current crystal generative models are caught in a pronounced stability--novelty trade-off: moving toward the observed distribution preserves stability but limits novelty, whereas moving away from it quickly destroys stability. This suggests that the useful region for discovering crystals that are both stable and novel is extremely narrow. To escape the trade-off, we introduce Crys-JEPA, a joint embedding predictive architecture for crystals that learns an energy-aware latent space preserving formation-energy differences. In this space, stability assessment can be reformulated as an embedding-based comparison against accessible training crystals, reducing the reliance on expensive energy evaluation and task-specific external references. Building on Crys-JEPA, we further develop a screening-and-refinement pipeline that identifies promising generated crystals and reintroduces them to refine the generative model. On MP-20 and Alex-MP-20 datasets, we achieve improvements over baselines up to 81.4% and 82.6% on V.S.U.N metric, respectively.

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

On Training in Imagination

State-of-the-art model-based reinforcement learning methods train policies on imagined rollouts. These rollouts are trajectories generated by a learned dynamics model and are scored by a learned reward model, but without querying the true environment during policy updates. We study this training paradigm by quantifying how errors in learned dynamics and reward models affect returns and policy optimization. First, we extend the analysis of Asadi et al. (2018) to MDPs with learned reward models, and derive the optimal sample allocation--the ratio of dynamics samples to reward samples that minimizes a bound on return error under power-law scaling assumptions. We identify lower Lipschitz constants of the learned dynamics, reward, and policy as a representation desideratum that tightens this bound, and we connect this perspective to the temporal-straightening objective of Wang et al. (2026). Second, we examine how policy optimization with REINFORCE tolerates noisy rewards, which are often cheaper to obtain. We show that zero-mean reward noise leaves the gradient estimator unbiased and adds at most a variance term that decreases with the number of rollouts. This introduces a practical tradeoff: given a fixed budget, should one buy more rollouts with cheaper but noisier rewards, or fewer rollouts with more expensive but less noisy rewards? We reduce this choice to a one-dimensional optimization problem and characterize the optimum.

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

TabPFN-3: Technical Report

Tabular data underpins most high-value prediction problems in science and industry, and TabPFN has driven the foundation model revolution for this modality. Designed with feedback from our users, TabPFN-3 builds on this foundation to scale state-of-the-art performance to datasets with 1M training rows and substantially reduce training and inference time. Pretrained exclusively on synthetic data from our prior, TabPFN-3 dramatically pushes the frontier of tabular prediction and brings substantial gains on time series, relational, and tabular-text data. On the standard tabular benchmark TabArena, a forward pass of TabPFN-3 outperforms all other models, including tuned and ensembled baselines, by a significant margin, and pareto-dominates the speed/performance frontier. On more diverse datasets, TabPFN-3 ranks first on datasets with many classes, and beats 8-hour-tuned gradient-boosted-tree baselines on datasets up to 1M training rows and 200 features. TabPFN-3 introduces test-time compute scaling to tabular foundation models. Our API offering TabPFN-3-Plus (Thinking) exploits this to beat all non-TabPFN models by over 200 Elo on TabArena, rising to 420 Elo on the largest data subset, and outperforms AutoGluon 1.5 extreme while being 10x faster, without using LLMs, real data, internet search or any other model besides TabPFN. TabPFN-3 extends the capabilities of our models, enabling SOTA prediction on relational data (new SOTA foundation model on RelBenchV1) and tabular-text data (SOTA on TabSTAR via TabPFN-3-Plus); and improves existing integrations: a specialized checkpoint, TabPFN-TS-3, ranks 2nd on the time-series benchmark fev-bench, and SHAP-value computation is up to 120x faster. TabPFN-3 achieves this performance while being up to 20x faster than TabPFN-2.5. In addition, a reduced KV cache and row-chunking scale to 1M rows on one H100 with fast inference speed.

0 citations0 reviewsNo code linkedOpen access
preprint2025arXiv

OSVI-WM: One-Shot Visual Imitation for Unseen Tasks using World-Model-Guided Trajectory Generation

Visual imitation learning enables robotic agents to acquire skills by observing expert demonstration videos. In the one-shot setting, the agent generates a policy after observing a single expert demonstration without additional fine-tuning. Existing approaches typically train and evaluate on the same set of tasks, varying only object configurations, and struggle to generalize to unseen tasks with different semantic or structural requirements. While some recent methods attempt to address this, they exhibit low success rates on hard test tasks that, despite being visually similar to some training tasks, differ in context and require distinct responses. Additionally, most existing methods lack an explicit model of environment dynamics, limiting their ability to reason about future states. To address these limitations, we propose a novel framework for one-shot visual imitation learning via world-model-guided trajectory generation. Given an expert demonstration video and the agent's initial observation, our method leverages a learned world model to predict a sequence of latent states and actions. This latent trajectory is then decoded into physical waypoints that guide the agent's execution. Our method is evaluated on two simulated benchmarks and three real-world robotic platforms, where it consistently outperforms prior approaches, with over 30% improvement in some cases. The code is available at https://github.com/raktimgg/osvi-wm.

0 citations0 reviewsNo code linkedOpen access
preprint2025arXiv

Value-guided action planning with JEPA world models

Building deep learning models that can reason about their environment requires capturing its underlying dynamics. Joint-Embedded Predictive Architectures (JEPA) provide a promising framework to model such dynamics by learning representations and predictors through a self-supervised prediction objective. However, their ability to support effective action planning remains limited. We propose an approach to enhance planning with JEPA world models by shaping their representation space so that the negative goal-conditioned value function for a reaching cost in a given environment is approximated by a distance (or quasi-distance) between state embeddings. We introduce a practical method to enforce this constraint during training and show that it leads to significantly improved planning performance compared to standard JEPA models on simple control tasks.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

A Data-Augmentation Is Worth A Thousand Samples: Exact Quantification From Analytical Augmented Sample Moments

Data-Augmentation (DA) is known to improve performance across tasks and datasets. We propose a method to theoretically analyze the effect of DA and study questions such as: how many augmented samples are needed to correctly estimate the information encoded by that DA? How does the augmentation policy impact the final parameters of a model? We derive several quantities in close-form, such as the expectation and variance of an image, loss, and model's output under a given DA distribution. Those derivations open new avenues to quantify the benefits and limitations of DA. For example, we show that common DAs require tens of thousands of samples for the loss at hand to be correctly estimated and for the model training to converge. We show that for a training loss to be stable under DA sampling, the model's saliency map (gradient of the loss with respect to the model's input) must align with the smallest eigenvector of the sample variance under the considered DA augmentation, hinting at a possible explanation on why models tend to shift their focus from edges to textures.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Contrastive and Non-Contrastive Self-Supervised Learning Recover Global and Local Spectral Embedding Methods

Self-Supervised Learning (SSL) surmises that inputs and pairwise positive relationships are enough to learn meaningful representations. Although SSL has recently reached a milestone: outperforming supervised methods in many modalities\dots the theoretical foundations are limited, method-specific, and fail to provide principled design guidelines to practitioners. In this paper, we propose a unifying framework under the helm of spectral manifold learning to address those limitations. Through the course of this study, we will rigorously demonstrate that VICReg, SimCLR, BarlowTwins et al. correspond to eponymous spectral methods such as Laplacian Eigenmaps, Multidimensional Scaling et al. This unification will then allow us to obtain (i) the closed-form optimal representation for each method, (ii) the closed-form optimal network parameters in the linear regime for each method, (iii) the impact of the pairwise relations used during training on each of those quantities and on downstream task performances, and most importantly, (iv) the first theoretical bridge between contrastive and non-contrastive methods towards global and local spectral embedding methods respectively, hinting at the benefits and limitations of each. For example, (i) if the pairwise relation is aligned with the downstream task, any SSL method can be employed successfully and will recover the supervised method, but in the low data regime, VICReg's invariance hyper-parameter should be high; (ii) if the pairwise relation is misaligned with the downstream task, VICReg with small invariance hyper-parameter should be preferred over SimCLR or BarlowTwins.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Masked Siamese ConvNets

Self-supervised learning has shown superior performances over supervised methods on various vision benchmarks. The siamese network, which encourages embeddings to be invariant to distortions, is one of the most successful self-supervised visual representation learning approaches. Among all the augmentation methods, masking is the most general and straightforward method that has the potential to be applied to all kinds of input and requires the least amount of domain knowledge. However, masked siamese networks require particular inductive bias and practically only work well with Vision Transformers. This work empirically studies the problems behind masked siamese networks with ConvNets. We propose several empirical designs to overcome these problems gradually. Our method performs competitively on low-shot image classification and outperforms previous methods on object detection benchmarks. We discuss several remaining issues and hope this work can provide useful data points for future general-purpose self-supervised learning.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Neural Manifold Clustering and Embedding

Given a union of non-linear manifolds, non-linear subspace clustering or manifold clustering aims to cluster data points based on manifold structures and also learn to parameterize each manifold as a linear subspace in a feature space. Deep neural networks have the potential to achieve this goal under highly non-linear settings given their large capacity and flexibility. We argue that achieving manifold clustering with neural networks requires two essential ingredients: a domain-specific constraint that ensures the identification of the manifolds, and a learning algorithm for embedding each manifold to a linear subspace in the feature space. This work shows that many constraints can be implemented by data augmentation. For subspace feature learning, Maximum Coding Rate Reduction (MCR$^2$) objective can be used. Putting them together yields {\em Neural Manifold Clustering and Embedding} (NMCE), a novel method for general purpose manifold clustering, which significantly outperforms autoencoder-based deep subspace clustering. Further, on more challenging natural image datasets, NMCE can also outperform other algorithms specifically designed for clustering. Qualitatively, we demonstrate that NMCE learns a meaningful and interpretable feature space. As the formulation of NMCE is closely related to several important Self-supervised learning (SSL) methods, we believe this work can help us build a deeper understanding on SSL representation learning.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Pre-Train Your Loss: Easy Bayesian Transfer Learning with Informative Priors

Deep learning is increasingly moving towards a transfer learning paradigm whereby large foundation models are fine-tuned on downstream tasks, starting from an initialization learned on the source task. But an initialization contains relatively little information about the source task. Instead, we show that we can learn highly informative posteriors from the source task, through supervised or self-supervised approaches, which then serve as the basis for priors that modify the whole loss surface on the downstream task. This simple modular approach enables significant performance gains and more data-efficient learning on a variety of downstream classification and segmentation tasks, serving as a drop-in replacement for standard pre-training strategies. These highly informative priors also can be saved for future use, similar to pre-trained weights, and stand in contrast to the zero-mean isotropic uninformative priors that are typically used in Bayesian deep learning.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Separating the World and Ego Models for Self-Driving

Training self-driving systems to be robust to the long-tail of driving scenarios is a critical problem. Model-based approaches leverage simulation to emulate a wide range of scenarios without putting users at risk in the real world. One promising path to faithful simulation is to train a forward model of the world to predict the future states of both the environment and the ego-vehicle given past states and a sequence of actions. In this paper, we argue that it is beneficial to model the state of the ego-vehicle, which often has simple, predictable and deterministic behavior, separately from the rest of the environment, which is much more complex and highly multimodal. We propose to model the ego-vehicle using a simple and differentiable kinematic model, while training a stochastic convolutional forward model on raster representations of the state to predict the behavior of the rest of the environment. We explore several configurations of such decoupled models, and evaluate their performance both with Model Predictive Control (MPC) and direct policy learning. We test our methods on the task of highway driving and demonstrate lower crash rates and better stability. The code is available at https://github.com/vladisai/pytorch-PPUU/tree/ICLR2022.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Sparse Coding with Multi-Layer Decoders using Variance Regularization

Sparse representations of images are useful in many computer vision applications. Sparse coding with an $l_1$ penalty and a learned linear dictionary requires regularization of the dictionary to prevent a collapse in the $l_1$ norms of the codes. Typically, this regularization entails bounding the Euclidean norms of the dictionary's elements. In this work, we propose a novel sparse coding protocol which prevents a collapse in the codes without the need to regularize the decoder. Our method regularizes the codes directly so that each latent code component has variance greater than a fixed threshold over a set of sparse representations for a given set of inputs. Furthermore, we explore ways to effectively train sparse coding systems with multi-layer decoders since they can model more complex relationships than linear dictionaries. In our experiments with MNIST and natural image patches, we show that decoders learned with our approach have interpretable features both in the linear and multi-layer case. Moreover, we show that sparse autoencoders with multi-layer decoders trained using our variance regularization method produce higher quality reconstructions with sparser representations when compared to autoencoders with linear dictionaries. Additionally, sparse representations obtained with our variance regularization approach are useful in the downstream tasks of denoising and classification in the low-data regime.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

The Effects of Regularization and Data Augmentation are Class Dependent

Regularization is a fundamental technique to prevent over-fitting and to improve generalization performances by constraining a model's complexity. Current Deep Networks heavily rely on regularizers such as Data-Augmentation (DA) or weight-decay, and employ structural risk minimization, i.e. cross-validation, to select the optimal regularization hyper-parameters. In this study, we demonstrate that techniques such as DA or weight decay produce a model with a reduced complexity that is unfair across classes. The optimal amount of DA or weight decay found from cross-validation leads to disastrous model performances on some classes e.g. on Imagenet with a resnet50, the "barn spider" classification test accuracy falls from $68\%$ to $46\%$ only by introducing random crop DA during training. Even more surprising, such performance drop also appears when introducing uninformative regularization techniques such as weight decay. Those results demonstrate that our search for ever increasing generalization performance -- averaged over all classes and samples -- has left us with models and regularizers that silently sacrifice performances on some classes. This scenario can become dangerous when deploying a model on downstream tasks e.g. an Imagenet pre-trained resnet50 deployed on INaturalist sees its performances fall from $70\%$ to $30\%$ on class \#8889 when introducing random crop DA during the Imagenet pre-training phase. Those results demonstrate that designing novel regularizers without class-dependent bias remains an open research question.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

TiCo: Transformation Invariance and Covariance Contrast for Self-Supervised Visual Representation Learning

We present Transformation Invariance and Covariance Contrast (TiCo) for self-supervised visual representation learning. Similar to other recent self-supervised learning methods, our method is based on maximizing the agreement among embeddings of different distorted versions of the same image, which pushes the encoder to produce transformation invariant representations. To avoid the trivial solution where the encoder generates constant vectors, we regularize the covariance matrix of the embeddings from different images by penalizing low rank solutions. By jointly minimizing the transformation invariance loss and covariance contrast loss, we get an encoder that is able to produce useful representations for downstream tasks. We analyze our method and show that it can be viewed as a variant of MoCo with an implicit memory bank of unlimited size at no extra memory cost. This makes our method perform better than alternative methods when using small batch sizes. TiCo can also be seen as a modification of Barlow Twins. By connecting the contrastive and redundancy-reduction methods together, TiCo gives us new insights into how joint embedding methods work.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Understanding Dimensional Collapse in Contrastive Self-supervised Learning

Self-supervised visual representation learning aims to learn useful representations without relying on human annotations. Joint embedding approach bases on maximizing the agreement between embedding vectors from different views of the same image. Various methods have been proposed to solve the collapsing problem where all embedding vectors collapse to a trivial constant solution. Among these methods, contrastive learning prevents collapse via negative sample pairs. It has been shown that non-contrastive methods suffer from a lesser collapse problem of a different nature: dimensional collapse, whereby the embedding vectors end up spanning a lower-dimensional subspace instead of the entire available embedding space. Here, we show that dimensional collapse also happens in contrastive learning. In this paper, we shed light on the dynamics at play in contrastive learning that leads to dimensional collapse. Inspired by our theory, we propose a novel contrastive learning method, called DirectCLR, which directly optimizes the representation space without relying on an explicit trainable projector. Experiments show that DirectCLR outperforms SimCLR with a trainable linear projector on ImageNet.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

VICReg: Variance-Invariance-Covariance Regularization for Self-Supervised Learning

Recent self-supervised methods for image representation learning are based on maximizing the agreement between embedding vectors from different views of the same image. A trivial solution is obtained when the encoder outputs constant vectors. This collapse problem is often avoided through implicit biases in the learning architecture, that often lack a clear justification or interpretation. In this paper, we introduce VICReg (Variance-Invariance-Covariance Regularization), a method that explicitly avoids the collapse problem with a simple regularization term on the variance of the embeddings along each dimension individually. VICReg combines the variance term with a decorrelation mechanism based on redundancy reduction and covariance regularization, and achieves results on par with the state of the art on several downstream tasks. In addition, we show that incorporating our new variance term into other methods helps stabilize the training and leads to performance improvements.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

What Do We Maximize in Self-Supervised Learning?

In this paper, we examine self-supervised learning methods, particularly VICReg, to provide an information-theoretical understanding of their construction. As a first step, we demonstrate how information-theoretic quantities can be obtained for a deterministic network, offering a possible alternative to prior work that relies on stochastic models. This enables us to demonstrate how VICReg can be (re)discovered from first principles and its assumptions about data distribution. Furthermore, we empirically demonstrate the validity of our assumptions, confirming our novel understanding of VICReg. Finally, we believe that the derivation and insights we obtain can be generalized to many other SSL methods, opening new avenues for theoretical and practical understanding of SSL and transfer learning.

0 citations0 reviewsNo code linkedOpen access