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Memorisation, convergence and generalisation in generative models

arXiv.org Machine Learning

Generative neural networks learn how to produce highly realistic images from a large, but finite number of examples - or do they simply memorise their training set? To settle this question, Kadkhodaie, Guth, Simoncelli and Mallat (ICLR '24) trained diffusion models independently on disjoint subsets of a dataset and showed that they converge to nearly the same density when the number of training images is large enough. This result raises two basic questions: how much data do you need for convergence, and what does convergence capture about learning the data distribution? Here, we address these questions by providing an exact analytical characterisation of the transition from memorisation to generalisation in linear generative models. We find that these models memorise at small load, while convergence emerges continuously when the number of samples is linear in the input dimension. Strikingly, we find that convergence is insensitive to recovery of the principal latent factors of the data, which are recovered in a sharp transition. After extending our approach to data with power-law spectra, we find the same distinction between convergence and latent recovery in our experiments with convolutional denoisers and in the data of Kadkhodaie et al. We thus show that generalisation in generative models decomposes into at least two distinct objectives: matching the bulk of the data distribution and recovering the principal latent factors. These objectives correspond to two different distances between true and learnt data distribution, and only the first one is captured by convergence.


StatQAT: Statistical Quantizer Optimization for Deep Networks

arXiv.org Machine Learning

Quantization is essential for reducing the computational cost and memory usage of deep neural networks, enabling efficient inference on low-precision hardware. Despite the growing adoption of uniform and floating-point quantization schemes, selecting optimal quantization parameters remains a key challenge, particularly for diverse data distributions encountered during training and inference. This work presents a novel statistical error analysis framework for uniform and floating-point quantization, providing theoretical insight into error behavior across quantization configurations. Building on this analysis, we propose iterative quantizers designed for arbitrary data distributions and analytic quantizers tailored for Gaussian-like weight distributions. These methods enable efficient, low-error quantization suitable for both activations and weights. We incorporate our quantizers into quantization-aware training and evaluate them across integer and floating-point formats. Experiments demonstrate improved accuracy and stability, highlighting the effectiveness of our approach for training low-precision neural networks.


One-Step Generative Modeling via Wasserstein Gradient Flows

arXiv.org Machine Learning

Diffusion models and flow-based methods have shown impressive generative capability, especially for images, but their sampling is expensive because it requires many iterative updates. We introduce W-Flow, a framework for training a generator that transforms samples from a simple reference distribution into samples from a target data distribution in a single step. This is achieved in two steps: we first define an evolution from the reference distribution to the target distribution through a Wasserstein gradient flow that minimizes an energy functional; second, we train a static neural generator to compress this evolution into one-step generation. We instantiate the energy functional with the Sinkhorn divergence, which yields an efficient optimal-transport-based update rule that captures global distributional discrepancy and improves coverage of the target distribution. We further prove that the finite-sample training dynamics converge to the continuous-time distributional dynamics under suitable assumptions. Empirically, W-Flow sets a new state of the art for one-step ImageNet 256$\times$256 generation, achieving 1.29 FID, with improved mode coverage and domain transfer. Compared to multi-step diffusion models with similar FID scores, our method yields approximately 100$\times$ faster sampling. These results show that Wasserstein gradient flows provide a principled and effective foundation for fast and high-fidelity generative modeling.


Harnessing the Power of Choices in Decision Tree Learning

Neural Information Processing Systems

We propose a simple generalization of standard and empirically successful decision tree learning algorithms such as ID3, C4.5, and CART. These algorithms, which have been central to machine learning for decades, are greedy in nature: they grow a decision tree by iteratively splitting on the best attribute. Our algorithm, Top-k, considers the k best attributes as possible splits instead of just the single best attribute.We demonstrate, theoretically and empirically, the power of this simple generalization. We first prove a greediness hierarchy theorem showing that for every k N, Top-(k +1) can be dramatically more powerful than Top-k: there are data distributions for which the former achieves accuracy 1 ฮต, whereas the latter only achieves accuracy 12 +ฮต. We then show, through extensive experiments, that Top-k outperforms the two main approaches to decision tree learning: classic greedy algorithms and more recent "optimal decision tree" algorithms. On one hand, Top-k consistently enjoys significant accuracy gains over greedy algorithms across a wide range of benchmarks. On the other hand, Top-k is markedly more scalable than optimal decision tree algorithms and is able to handle dataset and feature set sizes that remain far beyond the reach of these algorithms.




AUnifying Perspective on Multicalibration: Game Dynamics for Multi-Objective Learning

Neural Information Processing Systems

We provide a unifying framework for the design and analysis of multicalibrated predictors. By placing the multicalibration problem in the general setting of multiobjective learning--where learning guarantees must hold simultaneously over a set of distributions and loss functions--we exploit connections to game dynamics to achieve state-of-the-art guarantees for a diverse set of multicalibration learning problems. In addition to shedding light on existing multicalibration guarantees and greatly simplifying their analysis, our approach also yields improved guarantees, such as error tolerances that scale with the square-root of group size versus the constant tolerances guaranteed by prior works, and improving the complexity of k-class multicalibration by an exponential factor of k versus Gopalan et al. [17]. Beyond multicalibration, we use these game dynamics to address emerging considerations in the study of group fairness and multi-distribution learning.


Evaluating Post-hoc Explanations for Graph Neural Networks via Robustness Analysis

Neural Information Processing Systems

This work studies the evaluation of explaining graph neural networks (GNNs), which is crucial to the credibility of post-hoc explainability in practical usage. Conventional evaluation metrics, and even explanation methods -- which mainly follow the paradigm of feeding the explanatory subgraph to the model and measuring output difference -- mostly suffer from the notorious out-of-distribution (OOD) issue. Hence, in this work, we endeavor to confront this issue by introducing a novel evaluation metric, termed OOD-resistant Adversarial Robustness (OAR). Specifically, we draw inspiration from adversarial robustness and evaluate post-hoc explanation subgraphs by calculating their robustness under attack. On top of that, an elaborate OOD reweighting block is inserted into the pipeline to confine the evaluation process to the original data distribution. For applications involving large datasets, we further devise a Simplified version of OAR (SimOAR), which achieves a significant improvement in computational efficiency at the cost of a small amount of performance.


Distributed Personalized Empirical Risk Minimization

Neural Information Processing Systems

This paper advocates a new paradigm Personalized Empirical Risk Minimization (PERM) to facilitate learning from heterogeneous data sources without imposing stringent constraints on computational resources shared by participating devices. In PERM, we aim to learn a distinct model for each client by learning who to learn with and personalizing the aggregation of local empirical losses by effectively estimating the statistical discrepancy among data distributions, which entails optimal statistical accuracy for all local distributions and overcomes the data heterogeneity issue. To learn personalized models at scale, we propose a distributed algorithm that replaces the standard model averaging with model shuffling to simultaneously optimize PERM objectives for all devices. This also allows us to learn distinct model architectures (e.g., neural networks with different numbers of parameters) for different clients, thus confining underlying memory and compute resources of individual clients. We rigorously analyze the convergence of the proposed algorithm and conduct experiments that corroborate the effectiveness of the proposed paradigm.


Adversarial Counterfactual Environment Model Learning

Neural Information Processing Systems

An accurate environment dynamics model is crucial for various downstream tasks in sequential decision-making, such as counterfactual prediction, off-policy evaluation, and offline reinforcement learning. Currently, these models were learned through empirical risk minimization (ERM) by step-wise fitting of historical transition data. This way was previously believed unreliable over long-horizon rollouts because of the compounding errors, which can lead to uncontrollable inaccuracies in predictions. In this paper, we find that the challenge extends beyond just longterm prediction errors: we reveal that even when planning with one step, learned dynamics models can also perform poorly due to the selection bias of behavior policies during data collection.