ICLR 2023 Papers

Diffusion probabilistic models have quickly become a major approach for generative modeling of images, 3D geometry, video and other domains. However, to adapt diffusion generative modeling to these domains the denoising network needs to be carefully designed for each domain independently, oftentimes under the assumption that data lives in a Euclidean grid. In this paper we introduce Diffusion Probabilistic Fields (DPF), a diffusion model that can learn distributions over continuous functions defined over metric spaces, commonly known as fields. We extend the formulation of diffusion probabilistic models to deal with this field parametrization in an explicit way, enabling us to define an end-to-end learning algorithm that side-steps the requirement of representing fields with latent vectors as in previous approaches (Dupont et al., 2022a; Du et al., 2021). We empirically show that, while using the same denoising network, DPF effectively deals with different modalities like 2D images and 3D geometry, in addition to modeling distributions over fields defined on non-Euclidean metric spaces.

Limited progress has been made in continual unsupervised learning of representations, especially in reusing, expanding, and continually disentangling learned semantic factors across data environments. We argue that this is because existing approaches treat continually-arrived data independently, without considering how they are related based on the underlying semantic factors. We address this by a new generative model describing a topologically-connected mixture of spike-and-slab distributions in the latent space, learned end-to-end in a continual fashion via principled variational inference. The learned mixture is able to automatically discover the active semantic factors underlying each data environment and to accumulate their relational structure based on that. This distilled knowledge of different data environments can further be used for generative replay and guiding continual disentangling of new semantic factors. We tested the presented method on a split version of 3DShapes to provide the first quantitative disentanglement evaluation of continually learned representations, and further demonstrated its ability to continually disentangle new representations in benchmark datasets.

Code is seldom written in a single left-to-right pass and is instead repeatedly edited and refined. We introduce InCoder, a unified generative model that can perform program synthesis (via left-to-right generation) as well as editing (via masking and infilling). InCoder is trained to generate code files from a large corpus of permissively licensed code, where regions of code have been randomly masked and moved to the end of each file, allowing code infilling with bidirectional context. Our model is the first large generative code model that is able to infill arbitrary regions of code, which we evaluate in a zero-shot setting on challenging tasks such as type inference, comment generation, and variable re-naming. We find that the ability to condition on bidirectional context substantially improves performance on these tasks, while still performing comparably on standard program synthesis benchmarks in comparison to left-to-right only models pretrained at similar scale. Our models and code will be publicly released.

In this work, we provide a deterministic alternative to the stochastic variational training of generative autoencoders. We refer to these new generative autoencoders as AutoEncoders within Flows (AEF), since the encoder and decoder are defined as affine layers of an overall invertible architecture. This results in a deterministic encoding of the data, as opposed to the stochastic encoding of VAEs. The paper introduces two related families of AEFs. The first family relies on a partition of the ambient space and is trained by exact maximum-likelihood. The second family exploits a deterministic expansion of the ambient space and is trained by maximizing the log-probability in this extended space. This latter case leaves complete freedom in the choice of encoder, decoder and prior architectures, making it a drop-in replacement for the training of existing VAEs and VAE-style models. We show that these AEFs can have strikingly higher performance than architecturally identical VAEs in terms of log-likelihood and sample quality, especially for low dimensional latent spaces. Importantly, we show that AEF samples are substantially sharper than VAE samples.

The classical Perceptron algorithm of Rosenblatt can be used to find a linear threshold function to correctly classify $n$ linearly separable data points, assuming the classes are separated by some margin $\gamma > 0$. A foundational result is that Perceptron converges after $\Omega(1/\gamma^{2})$ iterations. There have been several recent works that managed to improve this rate by a quadratic factor, to $\Omega(\sqrt{\log n}/\gamma)$, with more sophisticated algorithms. In this paper, we unify these existing results under one framework by showing that they can all be described through the lens of solving min-max problems using modern acceleration techniques, mainly through \emph{optimistic} online learning. We then show that the proposed framework also leads to improved results for a series of problems beyond the standard Perceptron setting. Specifically, a) for the margin maximization problem, we improve the state-of-the-art result from $O(\log t/t^2)$ to $O(1/t^2)$, where $t$ is the number of iterations; b) we provide the first result on identifying the implicit bias property of the classical Nesterov's accelerated gradient descent (NAG) algorithm, and show NAG can maximize the margin with an $O(1/t^2)$ rate; c) for the classical $p$-norm Perceptron problem, we provide an algorithm with $\Omega(\sqrt{(p-1)\log n}/\gamma)$ convergence rate, while existing algorithms suffer the $\Omega({(p-1)}/\gamma^2)$ convergence rate.

Deep generative models learn highly complex and non-linear representations to generate realistic synthetic data. While they have achieved notable success in computer vision and natural language processing, similar advances have been less demonstrable in the tabular domain. This is partially because generative modelling of tabular data entails a particular set of challenges, including heterogeneous relationships, limited number of samples, and difficulties in incorporating prior knowledge. Additionally, unlike their counterparts in image and sequence domain, deep generative models for tabular data almost exclusively employ fully-connected layers, which encode weak inductive biases about relationships between inputs. Real-world data generating processes can often be represented using relational structures, which encode sparse, heterogeneous relationships between variables. In this work, we learn and exploit relational structure underlying tabular data to better model variable dependence, and as a natural means to introduce regularization on relationships and include prior knowledge. Specifically, we introduce GOGGLE, an end-to-end message passing scheme that jointly learns the relational structure and corresponding functional relationships as the basis of generating synthetic samples. Using real-world datasets, we provide empirical evidence that the proposed method is effective in generating realistic synthetic data and exploiting domain knowledge for downstream tasks.

Variational Autoencoders (VAEs) were originally motivated as probabilistic generative models in which one performs approximate Bayesian inference. The proposal of $\beta$-VAEs breaks this interpretation and generalizes VAEs to application domains beyond generative modeling (e.g., representation learning, clustering, or lossy data compression) by introducing an objective function that allows practitioners to trade off between the information content ("bit rate") of the latent representation and the distortion of reconstructed data. In this paper, we reconsider this rate/distortion trade-off in the context of hierarchical VAEs, i.e., VAEs with more than one layer of latent variables. We propose a method to control each layer's contribution to the rate independently. We identify the most general class of inference models to which our proposed method is applicable, and we derive theoretical bounds on the performance of downstream tasks as functions of the individual layers' rates. Our experiments demonstrate that the proposed method allows us to better tune hierarchical VAEs for a diverse set of practical use cases.

Deep learning based virtual try-on system has achieved some encouraging progress recently, but there still remain several big challenges that need to be solved, such as trying on arbitrary clothes of all types, trying on the clothes from one category to another and generating image-realistic results with few artifacts. To handle this issue, we propose the Arbitrary Virtual Try-On Network (AVTON) that is utilized for all-type clothes, which can synthesize realistic try-on images by preserving and trading off characteristics of the target clothes and the reference person. Our approach includes three modules: 1) Limbs Prediction Module, which is utilized for predicting the human body parts by preserving the characteristics of the reference person. This is especially good for handling cross-category try-on task (e.g., long sleeves \(\leftrightarrow\) short sleeves or long pants \(\leftrightarrow\) skirts, etc.), where the exposed arms or legs with the skin colors and details can be reasonably predicted; 2) Improved Geometric Matching Module, which is designed to warp clothes according to the geometry of the target person. We improve the TPS-based warping method with a compactly supported radial function (Wendland's \(\Psi\)-function); 3) Trade-Off Fusion Module, which is to trade off the characteristics of the warped clothes and the reference person. This module is to make the generated try-on images look more natural and realistic based on a fine-tuning symmetry of the network structure. Extensive simulations are conducted and our approach can achieve better performance compared with the state-of-the-art virtual try-on methods.

Federated Learning (FL) aims to develop a centralized server that learns from distributed clients via communications without accessing the clients’ local data. However, existing works mainly focus on federated learning in a single task sce- nario with static data. In this paper, we introduce the continual federated learning (CFL) problem, where clients incrementally learn new tasks and history data can- not be stored due to certain reasons, such as limited storage and data retention policy 1. Generative replay (GR) based methods are effective for continual learning without storing history data. However, we fail when trying to intuitively adapt GR models for this setting. By analyzing the behaviors of clients during training, we find the unstable training process caused by distributed training on non-IID data leads to a notable performance degradation. To address this problem, we propose our FedCIL model with two simple but effective solutions: 1. model consolidation and 2. consistency enforcement. Experimental results on multiple benchmark datasets demonstrate that our method significantly outperforms baselines. Code is available at: https://github.com/daiqing98/FedCIL.

We consider monotone variational inequality (VI) problems in multi-GPU settings where multiple processors/workers/clients have access to local stochastic dual vectors. This setting includes a broad range of important problems from distributed convex minimization to min-max and games. Extra-gradient, which is a de facto algorithm for monotone VI problems, has not been designed to be communication-efficient. To this end, we propose a quantized generalized extra-gradient (Q-GenX), which is an unbiased and adaptive compression method tailored to solve VIs. We provide an adaptive step-size rule, which adapts to the respective noise profiles at hand and achieve a fast rate of ${\cal O}(1/T)$ under relative noise, and an order-optimal ${\cal O}(1/\sqrt{T})$ under absolute noise and show distributed training accelerates convergence. Finally, we validate our theoretical results by providing real-world experiments and training generative adversarial networks on multiple GPUs.

Using noisy crowdsourced labels from multiple annotators, a deep learning-based end-to-end (E2E) system aims to learn the label correction mechanism and the neural classifier simultaneously. To this end, many E2E systems concatenate the neural classifier with multiple annotator-specific label confusion layers and co-train the two parts in a parameter-coupled manner. The formulated coupled cross-entropy minimization (CCEM)-type criteria are intuitive and work well in practice. Nonetheless, theoretical understanding of the CCEM criterion has been limited. The contribution of this work is twofold: First, performance guarantees of the CCEM criterion are presented. Our analysis reveals for the first time that the CCEM can indeed correctly identify the annotators' confusion characteristics and the desired ``ground-truth'' neural classifier under realistic conditions, e.g., when only incomplete annotator labeling and finite samples are available. Second, based on the insights learned from our analysis, two regularized variants of the CCEM are proposed. The regularization terms provably enhance the identifiability of the target model parameters in various more challenging cases. A series of synthetic and real data experiments are presented to showcase the effectiveness of our approach.

Regularization is almost {\it de rigueur} when designing autoencoders that are sparse and robust to noise. Given the recent surge of interest in machine learning problems involving non-Euclidean data, in this paper we address the regularization of autoencoders on curved spaces. We show that by ignoring the underlying geometry of the data and applying standard vector space regularization techniques, autoencoder performance can be severely degraded, or worse, training can fail to converge. Assuming that both the data space and latent space can be modeled as Riemannian manifolds, we show how to construct regularization terms in a coordinate-invariant way, and develop geometric generalizations of the denoising autoencoder and reconstruction contractive autoencoder such that the essential properties that enable the estimation of the derivative of the log-probability density are preserved. Drawing upon various non-Euclidean data sets, we show that our geometric autoencoder regularization techniques can have important performance advantages over vector-spaced methods while avoiding other breakdowns that can result from failing to account for the underlying geometry.

Datasets involving multivariate event streams are prevalent in numerous applications. We present a novel framework for modeling temporal point processes called clock logic neural networks (CLNN) which learn weighted clock logic (wCL) formulas as interpretable temporal rules by which some events promote or inhibit other events. Specifically, CLNN models temporal relations between events using conditional intensity rates informed by a set of wCL formulas, which are more expressive than related prior work. Unlike conventional approaches of searching for generative rules through expensive combinatorial optimization, we design smooth activation functions for components of wCL formulas that enable a continuous relaxation of the discrete search space and efficient learning of wCL formulas using gradient-based methods. Experiments on synthetic datasets manifest our model's ability to recover the ground-truth rules and improve computational efficiency. In addition, experiments on real-world datasets show that our models perform competitively when compared with state-of-the-art models.

This work proposes a minimal computational model for learning structured memories of multiple object classes in an incremental setting. Our approach is based on establishing a {\em closed-loop transcription} between the classes and a corresponding set of subspaces, known as a linear discriminative representation, in a low-dimensional feature space. Our method is simpler than existing approaches for incremental learning, and more efficient in terms of model size, storage, and computation: it requires only a single, fixed-capacity autoencoding network with a feature space that is used for both discriminative and generative purposes. Network parameters are optimized simultaneously without architectural manipulations, by solving a constrained minimax game between the encoding and decoding maps over a single rate reduction-based objective. Experimental results show that our method can effectively alleviate catastrophic forgetting, achieving significantly better performance than prior work of generative replay on MNIST, CIFAR-10, and ImageNet-50, despite requiring fewer resources.

We present rectified flow, a simple approach to learning (neural) ordinary differential equation (ODE) models to transport between two empirically observed distributions $\pi_0$ and $\pi_1$, hence providing a unified solution to generative modeling and domain transfer, among various other tasks involving distribution transport. The idea of rectified flow is to learn the ODE to follow the straight paths connecting the points drawn from $\pi_0$ and $\pi_1$ as much as possible. This is achieved by solving a straightforward nonlinear least squares optimization problem, which can be easily scaled to large models without introducing extra parameters beyond standard supervised learning. The straight paths are the shortest paths between two points, and can be simulated exactly without time discretization and hence yield computationally efficient models. We show that, by learning a rectified flow from data, we effectively turn an arbitrary coupling of $\pi_0$ and $\pi_1$ to a new deterministic coupling with provably non-increasing convex transport costs. In addition, with a ``reflow" procedure that iteratively learns a new rectified flow from the data bootstrapped from the previous one, we obtain a sequence of flows with increasingly straight paths, which can be simulated accurately with coarse time discretization in the inference phase. In empirical studies, we show that rectified flow performs superbly on image generation, image-to-image translation, and domain adaptation. In particular, on image generation and translation, our method yields nearly straight flows that give high quality results even with \emph{a single Euler discretization step}. Code is available at \url{https://github.com/gnobitab/RectifiedFlow}.

Diffusion models generate samples by reversing a fixed forward diffusion process. Despite already providing impressive empirical results, these diffusion models algorithms can be further improved by reducing the variance of the training targets in their denoising score-matching objective. We argue that the source of such variance lies in the handling of intermediate noise-variance scales, where multiple modes in the data affect the direction of reverse paths. We propose to remedy the problem by incorporating a reference batch which we use to calculate weighted conditional scores as more stable training targets. We show that the procedure indeed helps in the challenging intermediate regime by reducing (the trace of) the covariance of training targets. The new stable targets can be seen as trading bias for reduced variance, where the bias vanishes with increasing reference batch size. Empirically, we show that the new objective improves the image quality, stability, and training speed of various popular diffusion models across datasets with both general ODE and SDE solvers. When used in combination with EDM, our method yields a current SOTA FID of 1.90 with 35 network evaluations on the unconditional CIFAR-10 generation task. The code is available at https://github.com/Newbeeer/stf

Diffusion models have achieved promising results on generative learning recently. However, because diffusion processes are most naturally applied on the unconstrained Euclidean space $\mathrm{R}^d$, key challenges arise for developing diffusion based models for learning data on constrained and structured domains. We present a simple and unified framework to achieve this that can be easily adopted to various types of domains, including product spaces of any type (be it bounded/unbounded, continuous/discrete, categorical/ordinal, or their mix). In our model, the diffusion process is driven by a drift force that is a sum of two terms: one singular force designed by $Doob's~ h$-$transform$ that ensures all outcomes of the process to belong to the desirable domain, and one non-singular neural force field that is trained to make sure the outcome follows the data distribution statistically. Experiments show that our methods perform superbly on generating tabular data, images, semantic segments and 3D point clouds.

Deep learning has had tremendous success at learning low-dimensional representations of high-dimensional data. This success would be impossible if there was no hidden low-dimensional structure in data of interest; this existence is posited by the manifold hypothesis, which states that the data lies on an unknown manifold of low intrinsic dimension. In this paper, we argue that this hypothesis does not properly capture the low-dimensional structure typically present in image data. Assuming that data lies on a single manifold implies intrinsic dimension is identical across the entire data space, and does not allow for subregions of this space to have a different number of factors of variation. To address this deficiency, we consider the union of manifolds hypothesis, which states that data lies on a disjoint union of manifolds of varying intrinsic dimensions. We empirically verify this hypothesis on commonly-used image datasets, finding that indeed, observed data lies on a disconnected set and that intrinsic dimension is not constant. We also provide insights into the implications of the union of manifolds hypothesis in deep learning, both supervised and unsupervised, showing that designing models with an inductive bias for this structure improves performance across classification and generative modelling tasks. Our code is available at https://github.com/layer6ai-labs/UoMH.

Intelligent biological systems are characterized by their embodiment in a complex environment and the intimate interplay between their nervous systems and the nonlinear mechanical properties of their bodies. This coordination, in which the dynamics of the motor system co-evolved to reduce the computational burden on the brain, is referred to as "mechanical intelligence" or "morphological computation". In this work, we seek to develop machine learning analogs of this process, in which we jointly learn the morphology of complex nonlinear elastic solids along with a deep neural network to control it. By using a specialized differentiable simulator of elastic mechanics coupled to conventional deep learning architectures---which we refer to as neuromechanical autoencoders---we are able to learn to perform morphological computation via gradient descent. Key to our approach is the use of mechanical metamaterials---cellular solids, in particular---as the morphological substrate. Just as deep neural networks provide flexible and massively-parametric function approximators for perceptual and control tasks, cellular solid metamaterials are promising as a rich and learnable space for approximating a variety of actuation tasks. In this work we take advantage of these complementary computational concepts to co-design materials and neural network controls to achieve nonintuitive mechanical behavior. We demonstrate in simulation how it is possible to achieve translation, rotation, and shape matching, as well as a "digital MNIST" task. We additionally manufacture and evaluate one of the designs to verify its real-world behavior.