We present estimators for smooth Hilbert-valued parameters, where smoothness is characterized by a pathwise differentiability condition. When the parameter space is a reproducing kernel Hilbert space, we provide a means to obtain efficient, root-n rate estimators and corresponding confidence sets. These estimators correspond to generalizations of cross-fitted one-step estimators based on Hilbert-valued efficient influence functions. We give theoretical guarantees even when arbitrary estimators of nuisance functions are used, including those based on machine learning techniques. We show that these results naturally extend to Hilbert spaces that lack a reproducing kernel, as long as the parameter has an efficient influence function. However, we also uncover the unfortunate fact that, when there is no reproducing kernel, many interesting parameters fail to have an efficient influence function, even though they are pathwise differentiable. To handle these cases, we propose a regularized one-step estimator and associated confidence sets. We also show that pathwise differentiability, which is a central requirement of our approach, holds in many cases. Specifically, we provide multiple examples of pathwise differentiable parameters and develop corresponding estimators and confidence sets. Among these examples, four are particularly relevant to ongoing research by the causal inference community: the counterfactual density function, dose-response function, conditional average treatment effect function, and counterfactual kernel mean embedding.
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Diffusion models are powerful generative models but suffer from slow sampling, often taking 1000 sequential denoising steps for one sample. As a result, considerable efforts have been directed toward reducing the number of denoising steps, but these methods hurt sample quality. Instead of reducing the number of denoising steps (trading quality for speed), in this paper we explore an orthogonal approach: can we run the denoising steps in parallel (trading compute for speed)? In spite of the sequential nature of the denoising steps, we show that surprisingly it is possible to parallelize sampling via Picard iterations, by guessing the solution of future denoising steps and iteratively refining until convergence. With this insight, we present ParaDiGMS, a novel method to accelerate the sampling of pretrained diffusion models by denoising multiple steps in parallel. ParaDiGMS is the first diffusion sampling method that enables trading compute for speed and is even compatible with existing fast sampling techniques such as DDIM and DPMSolver. Using ParaDiGMS, we improve sampling speed by 2-4x across a range of robotics and image generation models, giving state-of-the-art sampling speeds of 0.2s on 100-step DiffusionPolicy and 16s on 1000-step StableDiffusion-v2 with no measurable degradation of task reward, FID score, or CLIP score.
Current state-of-the-art object-centric models use slots and attention-based routing for binding. However, this class of models has several conceptual limitations: the number of slots is hardwired; all slots have equal capacity; training has high computational cost; there are no object-level relational factors within slots. Synchrony-based models in principle can address these limitations by using complex-valued activations which store binding information in their phase components. However, working examples of such synchrony-based models have been developed only very recently, and are still limited to toy grayscale datasets and simultaneous storage of less than three objects in practice. Here we introduce architectural modifications and a novel contrastive learning method that greatly improve the state-of-the-art synchrony-based model. For the first time, we obtain a class of synchrony-based models capable of discovering objects in an unsupervised manner in multi-object color datasets and simultaneously representing more than three objects
We propose a deep importance sampling method that is suitable for estimating rare event probabilities in high-dimensional problems. We approximate the optimal importance distribution in a general importance sampling problem as the pushforward of a reference distribution under a composition of order-preserving transformations, in which each transformation is formed by a squared tensor-train decomposition. The squared tensor-train decomposition provides a scalable ansatz for building order-preserving high-dimensional transformations via density approximations. The use of composition of maps moving along a sequence of bridging densities alleviates the difficulty of directly approximating concentrated density functions. To compute expectations over unnormalized probability distributions, we design a ratio estimator that estimates the normalizing constant using a separate importance distribution, again constructed via a composition of transformations in tensor-train format. This offers better theoretical variance reduction compared with self-normalized importance sampling, and thus opens the door to efficient computation of rare event probabilities in Bayesian inference problems. Numerical experiments on problems constrained by differential equations show little to no increase in the computational complexity with the event probability going to zero, and allow to compute hitherto unattainable estimates of rare event probabilities for complex, high-dimensional posterior densities.
We consider the problem of estimating the optimal transport map between two probability distributions, $P$ and $Q$ in $\mathbb R^d$, on the basis of i.i.d. samples. All existing statistical analyses of this problem require the assumption that the transport map is Lipschitz, a strong requirement that, in particular, excludes any examples where the transport map is discontinuous. As a first step towards developing estimation procedures for discontinuous maps, we consider the important special case where the data distribution $Q$ is a discrete measure supported on a finite number of points in $\mathbb R^d$. We study a computationally efficient estimator initially proposed by Pooladian and Niles-Weed (2021), based on entropic optimal transport, and show in the semi-discrete setting that it converges at the minimax-optimal rate $n^{-1/2}$, independent of dimension. Other standard map estimation techniques both lack finite-sample guarantees in this setting and provably suffer from the curse of dimensionality. We confirm these results in numerical experiments, and provide experiments for other settings, not covered by our theory, which indicate that the entropic estimator is a promising methodology for other discontinuous transport map estimation problems.
Manifolds discovered by machine learning models provide a compact representation of the underlying data. Geodesics on these manifolds define locally length-minimising curves and provide a notion of distance, which are key for reduced-order modelling, statistical inference, and interpolation. In this work, we first analyse existing methods for computing length-minimising geodesics. We find that these are not suitable for obtaining valid paths, and thus, geodesic distances. We remedy these shortcomings by leveraging numerical tools from differential geometry, which provide the means to obtain Hamiltonian-conserving geodesics. Second, we propose a model-based parameterisation for distance fields and geodesic flows on continuous manifolds. Our approach exploits a manifold-aware extension to the Eikonal equation, eliminating the need for approximations or discretisation. Finally, we develop a curvature-based training mechanism, sampling and scaling points in regions of the manifold exhibiting larger values of the Ricci scalar. This sampling and scaling approach ensures that we capture regions of the manifold subject to higher degrees of geodesic deviation. Our proposed methods provide principled means to compute valid geodesics and geodesic distances on manifolds. This work opens opportunities for latent-space interpolation, optimal control, and distance computation on differentiable manifolds.
We develop a class of data-driven generative models that approximate the solution operator for parameter-dependent partial differential equations (PDE). We propose a novel probabilistic formulation of the operator learning problem based on recently developed generative denoising diffusion probabilistic models (DDPM) in order to learn the input-to-output mapping between problem parameters and solutions of the PDE. To achieve this goal we modify DDPM to supervised learning in which the solution operator for the PDE is represented by a class of conditional distributions. The probabilistic formulation combined with DDPM allows for an automatic quantification of confidence intervals for the learned solutions. Furthermore, the framework is directly applicable for learning from a noisy data set. We compare computational performance of the developed method with the Fourier Network Operators (FNO). Our results show that our method achieves comparable accuracy and recovers the noise magnitude when applied to data sets with outputs corrupted by additive noise.
We study the problem of reconstructing the Faber--Schauder coefficients of a continuous function $f$ from discrete observations of its antiderivative $F$. Our approach starts with formulating this problem through piecewise quadratic spline interpolation. We then provide a closed-form solution and an in-depth error analysis. These results lead to some surprising observations, which also throw new light on the classical topic of quadratic spline interpolation itself: They show that the well-known instabilities of this method can be located exclusively within the final generation of estimated Faber--Schauder coefficients, which suffer from non-locality and strong dependence on the initial value and the given data. By contrast, all other Faber--Schauder coefficients depend only locally on the data, are independent of the initial value, and admit uniform error bounds. We thus conclude that a robust and well-behaved estimator for our problem can be obtained by simply dropping the final-generation coefficients from the estimated Faber--Schauder coefficients.
The Multilevel Monte Carlo (MLMC) method has proven to be an effective variance-reduction statistical method for Uncertainty Quantification (UQ) in Partial Differential Equation (PDE) models, combining model computations at different levels to create an accurate estimate. Still, the computational complexity of the resulting method is extremely high, particularly for 3D models, which requires advanced algorithms for the efficient exploitation of High Performance Computing (HPC). In this article we present a new implementation of the MLMC in massively parallel computer architectures, exploiting parallelism within and between each level of the hierarchy. The numerical approximation of the PDE is performed using the finite element method but the algorithm is quite general and could be applied to other discretization methods as well, although the focus is on parallel sampling. The two key ingredients of an efficient parallel implementation are a good processor partition scheme together with a good scheduling algorithm to assign work to different processors. We introduce a multiple partition of the set of processors that permits the simultaneous execution of different levels and we develop a dynamic scheduling algorithm to exploit it. The problem of finding the optimal scheduling of distributed tasks in a parallel computer is an NP-complete problem. We propose and analyze a new greedy scheduling algorithm to assign samples and we show that it is a 2-approximation, which is the best that may be expected under general assumptions. On top of this result we design a distributed memory implementation using the Message Passing Interface (MPI) standard. Finally we present a set of numerical experiments illustrating its scalability properties.
Diffusion models have shown incredible capabilities as generative models; indeed, they power the current state-of-the-art models on text-conditioned image generation such as Imagen and DALL-E 2. In this work we review, demystify, and unify the understanding of diffusion models across both variational and score-based perspectives. We first derive Variational Diffusion Models (VDM) as a special case of a Markovian Hierarchical Variational Autoencoder, where three key assumptions enable tractable computation and scalable optimization of the ELBO. We then prove that optimizing a VDM boils down to learning a neural network to predict one of three potential objectives: the original source input from any arbitrary noisification of it, the original source noise from any arbitrarily noisified input, or the score function of a noisified input at any arbitrary noise level. We then dive deeper into what it means to learn the score function, and connect the variational perspective of a diffusion model explicitly with the Score-based Generative Modeling perspective through Tweedie's Formula. Lastly, we cover how to learn a conditional distribution using diffusion models via guidance.
Federated learning is a new distributed machine learning framework, where a bunch of heterogeneous clients collaboratively train a model without sharing training data. In this work, we consider a practical and ubiquitous issue in federated learning: intermittent client availability, where the set of eligible clients may change during the training process. Such an intermittent client availability model would significantly deteriorate the performance of the classical Federated Averaging algorithm (FedAvg for short). We propose a simple distributed non-convex optimization algorithm, called Federated Latest Averaging (FedLaAvg for short), which leverages the latest gradients of all clients, even when the clients are not available, to jointly update the global model in each iteration. Our theoretical analysis shows that FedLaAvg attains the convergence rate of $O(1/(N^{1/4} T^{1/2}))$, achieving a sublinear speedup with respect to the total number of clients. We implement and evaluate FedLaAvg with the CIFAR-10 dataset. The evaluation results demonstrate that FedLaAvg indeed reaches a sublinear speedup and achieves 4.23% higher test accuracy than FedAvg.
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