NeurIPS 2023 论文列表

We introduce beta diffusion, a novel generative modeling method that integrates demasking and denoising to generate data within bounded ranges. Using scaled and shifted beta distributions, beta diffusion utilizes multiplicative transitions over time to create both forward and reverse diffusion processes, maintaining beta distributions in both the forward marginals and the reverse conditionals, given the data at any point in time. Unlike traditional diffusion-based generative models relying on additive Gaussian noise and reweighted evidence lower bounds (ELBOs), beta diffusion is multiplicative and optimized with KL-divergence upper bounds (KLUBs) derived from the convexity of the KL divergence. We demonstrate that the proposed KLUBs are more effective for optimizing beta diffusion compared to negative ELBOs, which can also be derived as the KLUBs of the same KL divergence with its two arguments swapped. The loss function of beta diffusion, expressed in terms of Bregman divergence, further supports the efficacy of KLUBs for optimization. Experimental results on both synthetic data and natural images demonstrate the unique capabilities of beta diffusion in generative modeling of range-bounded data and validate the effectiveness of KLUBs in optimizing diffusion models, thereby making them valuable additions to the family of diffusion-based generative models and the optimization techniques used to train them.

Generative Models (GMs) have attracted considerable attention due to their tremendous success in various domains, such as computer vision where they are capable to generate impressive realistic-looking images. Likelihood-based GMs are attractive due to the possibility to generate new data by a single model evaluation. However, they typically achieve lower sample quality compared to state-of-the-art score-based Diffusion Models (DMs). This paper provides a significant step in the direction of addressing this limitation. The idea is to borrow one of the strengths of score-based DMs, which is the ability to perform accurate density estimation in low-density regions and to address manifold overfitting by means of data mollification. We propose a view of data mollification within likelihood-based GMs as a continuation method, whereby the optimization objective smoothly transitions from simple-to-optimize to the original target. Crucially, data mollification can be implemented by adding one line of code in the optimization loop, and we demonstrate that this provides a boost in generation quality of likelihood-based GMs, without computational overheads. We report results on real-world image data sets and UCI benchmarks with popular likelihood-based GMs, including variants of variational autoencoders and normalizing flows, showing large improvements in FID score and density estimation.

Reinforcement learning presents an attractive paradigm to reason about several distinct aspects of sequential decision making, such as specifying complex goals, planning future observations and actions, and critiquing their utilities. However, the combined integration of these capabilities poses competing algorithmic challenges in retaining maximal expressivity while allowing for flexibility in modeling choices for efficient learning and inference. We present Decision Stacks, a generative framework that decomposes goal-conditioned policy agents into 3 generative modules. These modules simulate the temporal evolution of observations, rewards, and actions via independent generative models that can be learned in parallel via teacher forcing. Our framework guarantees both expressivity and flexibility in designing individual modules to account for key factors such as architectural bias, optimization objective and dynamics, transferrability across domains, and inference speed. Our empirical results demonstrate the effectiveness of Decision Stacks for offline policy optimization for several MDP and POMDP environments, outperforming existing methods and enabling flexible generative decision making.

Manifold learning flows are a class of generative modelling techniques that assume a low-dimensional manifold description of the data. The embedding of such a manifold into the high-dimensional space of the data is achieved via learnable invertible transformations. Therefore, once the manifold is properly aligned via a reconstruction loss, the probability density is tractable on the manifold and maximum likelihood can be used to optimize the network parameters. Naturally, the lower-dimensional representation of the data requires an injective-mapping. Recent approaches were able to enforce that the density aligns with the modelled manifold, while efficiently calculating the density volume-change term when embedding to the higher-dimensional space. However, unless the injective-mapping is analytically predefined, the learned manifold is not necessarily an \emph{efficient representation} of the data. Namely, the latent dimensions of such models frequently learn an entangled intrinsic basis, with degenerate information being stored in each dimension. Alternatively, if a locally orthogonal and/or sparse basis is to be learned, here coined canonical intrinsic basis, it can serve in learning a more compact latent space representation. Toward this end, we propose a canonical manifold learning flow method, where a novel optimization objective enforces the transformation matrix to have few prominent and non-degenerate basis functions. We demonstrate that by minimizing the off-diagonal manifold metric elements $\ell_1$-norm, we can achieve such a basis, which is simultaneously sparse and/or orthogonal. Canonical manifold flow yields a more efficient use of the latent space, automatically generating fewer prominent and distinct dimensions to represent data, and consequently a better approximation of target distributions than other manifold flow methods in most experiments we conducted, resulting in lower FID scores.

The success of over-parameterized neural networks trained to near-zero training error has caused great interest in the phenomenon of benign overfitting, where estimators are statistically consistent even though they interpolate noisy training data. While benign overfitting in fixed dimension has been established for some learning methods, current literature suggests that for regression with typical kernel methods and wide neural networks, benign overfitting requires a high-dimensional setting, where the dimension grows with the sample size. In this paper, we show that the smoothness of the estimators, and not the dimension, is the key: benign overfitting is possible if and only if the estimator's derivatives are large enough. We generalize existing inconsistency results to non-interpolating models and more kernels to show that benign overfitting with moderate derivatives is impossible in fixed dimension. Conversely, we show that benign overfitting is possible for regression with a sequence of spiky-smooth kernels with large derivatives. Using neural tangent kernels, we translate our results to wide neural networks. We prove that while infinite-width networks do not overfit benignly with the ReLU activation, this can be fixed by adding small high-frequency fluctuations to the activation function. Our experiments verify that such neural networks, while overfitting, can indeed generalize well even on low-dimensional data sets.

Advances in generative models have recently revolutionised machine learning. Meanwhile, in neuroscience, generative models have long been thought fundamental to animal intelligence. Understanding the biological mechanisms that support these processes promises to shed light on the relationship between biological and artificial intelligence. In animals, the hippocampal formation is thought to learn and use a generative model to support its role in spatial and non-spatial memory. Here we introduce a biologically plausible model of the hippocampal formation tantamount to a Helmholtz machine that we apply to a temporal stream of inputs. A novel component of our model is that fast theta-band oscillations (5-10 Hz) gate the direction of information flow throughout the network, training it akin to a high-frequency wake-sleep algorithm. Our model accurately infers the latent state of high-dimensional sensory environments and generates realistic sensory predictions. Furthermore, it can learn to path integrate by developing a ring attractor connectivity structure matching previous theoretical proposals and flexibly transfer this structure between environments. Whereas many models trade-off biological plausibility with generality, our model captures a variety of hippocampal cognitive functions under one biologically plausible local learning rule.

Denoising Diffusion Probabilistic Models (DDPMs) provide the foundation for the recent breakthroughs in generative modeling. Their Markovian structure makes it difficult to define DDPMs with distributions other than Gaussian or discrete. In this paper, we introduce Star-Shaped DDPM (SS-DDPM). Its *star-shaped diffusion process* allows us to bypass the need to define the transition probabilities or compute posteriors. We establish duality between star-shaped and specific Markovian diffusions for the exponential family of distributions and derive efficient algorithms for training and sampling from SS-DDPMs. In the case of Gaussian distributions, SS-DDPM is equivalent to DDPM. However, SS-DDPMs provide a simple recipe for designing diffusion models with distributions such as Beta, von Mises–Fisher, Dirichlet, Wishart and others, which can be especially useful when data lies on a constrained manifold. We evaluate the model in different settings and find it competitive even on image data, where Beta SS-DDPM achieves results comparable to a Gaussian DDPM. Our implementation is available at https://github.com/andrey-okhotin/star-shaped

Shape completion aims to recover the full 3D geometry of an object from a partial observation. This problem is inherently multi-modal since there can be many ways to plausibly complete the missing regions of a shape. Such diversity would be indicative of the underlying uncertainty of the shape and could be preferable for downstream tasks such as planning. In this paper, we propose a novel conditional generative adversarial network that can produce many diverse plausible completions of a partially observed point cloud. To enable our network to produce multiple completions for the same partial input, we introduce stochasticity into our network via style modulation. By extracting style codes from complete shapes during training, and learning a distribution over them, our style codes can explicitly carry shape category information leading to better completions. We further introduce diversity penalties and discriminators at multiple scales to prevent conditional mode collapse and to train without the need for multiple ground truth completions for each partial input. Evaluations across several synthetic and real datasets demonstrate that our method achieves significant improvements in respecting the partial observations while obtaining greater diversity in completions.

In an era of more diverse data modalities, multi-view clustering has become a fundamental tool for comprehensive data analysis and exploration. However, existing multi-view unsupervised learning methods often rely on strict assumptions on semantic consistency among samples. In this paper, we reformulate the multi-view clustering problem from an information-theoretic perspective and propose a general theoretical model. In particular, we define three desiderata under multi-view unsupervised learning in terms of mutual information, namely, comprehensiveness, concentration, and cross-diversity. The multi-view variational lower bound is then obtained by approximating the samples' high-dimensional mutual information. The Kullback–Leibler divergence is utilized to deduce sample assignments. Ultimately the information-based multi-view clustering model leverages deep neural networks and Stochastic Gradient Variational Bayes to achieve representation learning and clustering simultaneously. Extensive experiments on both synthetic and real datasets with wide types demonstrate that the proposed method exhibits a more stable and superior clustering performance than state-of-the-art algorithms.

Establishing correspondence between images or scenes is a significant challenge in computer vision, especially given occlusions, viewpoint changes, and varying object appearances. In this paper, we present Siamese Masked Autoencoders (SiamMAE), a simple extension of Masked Autoencoders (MAE) for learning visual correspondence from videos. SiamMAE operates on pairs of randomly sampled video frames and asymmetrically masks them. These frames are processed independently by an encoder network, and a decoder composed of a sequence of cross-attention layers is tasked with predicting the missing patches in the future frame. By masking a large fraction (95%) of patches in the future frame while leaving the past frame unchanged, SiamMAE encourages the network to focus on object motion and learn object-centric representations. Despite its conceptual simplicity, features learned via SiamMAE outperform state-of-the-art self-supervised methods on video object segmentation, pose keypoint propagation, and semantic part propagation tasks. SiamMAE achieves competitive results without relying on data augmentation, handcrafted tracking-based pretext tasks, or other techniques to prevent representational collapse.

Recently, commonsense reasoning in text generation has attracted much attention. Generative commonsense reasoning is the task that requires machines, given a group of keywords, to compose a single coherent sentence with commonsense plausibility. While existing datasets targeting generative commonsense reasoning focus on everyday scenarios, it is unclear how well machines reason under specific geographical and temporal contexts. We formalize this challenging task as SituatedGen, where machines with commonsense should generate a pair of contrastive sentences given a group of keywords including geographical or temporal entities. We introduce a corresponding English dataset consisting of 8,268 contrastive sentence pairs, which are built upon several existing commonsense reasoning benchmarks with minimal manual labor. Experiments show that state-of-the-art generative language models struggle to generate sentences with commonsense plausibility and still lag far behind human performance. Our dataset is publicly available at https://github.com/yunx-z/situated_gen.

We establish stability of random forests under the mild condition that the squared response ($Y^2$) does not have a heavy tail. In particular, our analysis holds for the practical version of random forests that is implemented in popular packages like \texttt{randomForest} in \texttt{R}. Empirical results show that stability may persist even beyond our assumption and hold for heavy-tailed $Y^2$. Using the stability property, we prove a non-asymptotic lower bound for the coverage probability of prediction intervals constructed from the out-of-bag error of random forests. With another mild condition that is typically satisfied when $Y$ is continuous, we also establish a complementary upper bound, which can be similarly established for the jackknife prediction interval constructed from an arbitrary stable algorithm. We also discuss the asymptotic coverage probability under assumptions weaker than those considered in previous literature. Our work implies that random forests, with its stability property, is an effective machine learning method that can provide not only satisfactory point prediction but also justified interval prediction at almost no extra computational cost.

A conditional generative model is a method for sampling from a conditional distribution $p(y \mid x)$. For example, one may want to sample an image of a cat given the label ``cat''. A feed-forward conditional generative model is a function $g(x, z)$ that takes the input $x$ and a random seed $z$, and outputs a sample $y$ from $p(y \mid x)$. Ideally the distribution of outputs $(x, g(x, z))$ would be close in total variation to the ideal distribution $(x, y)$. Generalization bounds for other learning models require assumptions on the distribution of $x$, even in simple settings like linear regression with Gaussian noise. We show these assumptions are unnecessary in our model, for both linear regression and single-layer ReLU networks. Given samples $(x, y)$, we show how to learn a 1-layer ReLU conditional generative model in total variation. As our result has no assumption on the distribution of inputs $x$, if we are given access to the internal activations of a deep generative model, we can compose our 1-layer guarantee to progressively learn the deep model using a near-linear number of samples.

Generative processes that involve solving differential equations, such as diffusion models, frequently necessitate balancing speed and quality. ODE-based samplers are fast but plateau in performance while SDE-based samplers deliver higher sample quality at the cost of increased sampling time. We attribute this difference to sampling errors: ODE-samplers involve smaller discretization errors while stochasticity in SDE contracts accumulated errors. Based on these findings, we propose a novel sampling algorithm called \textit{Restart} in order to better balance discretization errors and contraction. The sampling method alternates between adding substantial noise in additional forward steps and strictly following a backward ODE. Empirically, Restart sampler surpasses previous SDE and ODE samplers in both speed and accuracy. Restart not only outperforms the previous best SDE results, but also accelerates the sampling speed by 10-fold / 2-fold on CIFAR-10 / ImageNet $64{\times} 64$. In addition, it attains significantly better sample quality than ODE samplers within comparable sampling times. Moreover, Restart better balances text-image alignment/visual quality versus diversity than previous samplers in the large-scale text-to-image Stable Diffusion model pre-trained on LAION $512{\times} 512$. Code is available at https://github.com/Newbeeer/diffusion_restart_sampling

We present the first diffusion-based framework that can learn an unknown distribution using only highly-corrupted samples. This problem arises in scientific applications where access to uncorrupted samples is impossible or expensive to acquire. Another benefit of our approach is the ability to train generative models that are less likely to memorize any individual training sample, since they never observe clean training data. Our main idea is to introduce additional measurement distortion during the diffusion process and require the model to predict the original corrupted image from the further corrupted image. We prove that our method leads to models that learn the conditional expectation of the full uncorrupted image given this additional measurement corruption. This holds for any corruption process that satisfies some technical conditions (and in particular includes inpainting and compressed sensing). We train models on standard benchmarks (CelebA, CIFAR-10 and AFHQ) and show that we can learn the distribution even when all the training samples have 90\% of their pixels missing. We also show that we can finetune foundation models on small corrupted datasets (e.g. MRI scans with block corruptions) and learn the clean distribution without memorizing the training set.

High training costs of generative models and the need to fine-tune them for specific tasks have created a strong interest in model reuse and composition. A key challenge in composing iterative generative processes, such as GFlowNets and diffusion models, is that to realize the desired target distribution, all steps of the generative process need to be coordinated, and satisfy delicate balance conditions. In this work, we propose Compositional Sculpting: a general approach for defining compositions of iterative generative processes. We then introduce a method for sampling from these compositions built on classifier guidance. We showcase ways to accomplish compositional sculpting in both GFlowNets and diffusion models. We highlight two binary operations $\\unicode{x2014}$ the $\\textit{harmonic mean}\\unicode{x00A0}(p_1 \\otimes p_2$) and the $\\textit{contrast}\\unicode{x00A0}(p_1 \\,\\unicode{x25D1}\\,\\, p_2$) between pairs, and the generalization of these operations to multiple component distributions. We offer empirical results on image and molecular generation tasks. Project codebase: https://github.com/timgaripov/compositional-sculpting.

Since their initial introduction, score-based diffusion models (SDMs) have been successfully applied to solve a variety of linear inverse problems in finite-dimensional vector spaces due to their ability to efficiently approximate the posterior distribution. However, using SDMs for inverse problems in infinite-dimensional function spaces has only been addressed recently, primarily through methods that learn the unconditional score. While this approach is advantageous for some inverse problems, it is mostly heuristic and involves numerous computationally costly forward operator evaluations during posterior sampling. To address these limitations, we propose a theoretically grounded method for sampling from the posterior of infinite-dimensional Bayesian linear inverse problems based on amortized conditional SDMs. In particular, we prove that one of the most successful approaches for estimating the conditional score in finite dimensions—the conditional denoising estimator—can also be applied in infinite dimensions. A significant part of our analysis is dedicated to demonstrating that extending infinite-dimensional SDMs to the conditional setting requires careful consideration, as the conditional score typically blows up for small times, contrarily to the unconditional score. We conclude by presenting stylized and large-scale numerical examples that validate our approach, offer additional insights, and demonstrate that our method enables large-scale, discretization-invariant Bayesian inference.

While recent advancements in vision-language models have had a transformative impact on multi-modal comprehension, the extent to which these models possess the ability to comprehend generated images remains uncertain. Synthetic images, in comparison to real data, encompass a higher level of diversity in terms of both content and style, thereby presenting significant challenges for the models to fully grasp. In light of this challenge, we introduce a comprehensive dataset, referred to as JourneyDB, that caters to the domain of generative images within the context of multi-modal visual understanding. Our meticulously curated dataset comprises 4 million distinct and high-quality generated images, each paired with the corresponding text prompts that were employed in their creation. Furthermore, we additionally introduce an external subset with results of another 22 text-to-image generative models, which makes JourneyDB a comprehensive benchmark for evaluating the comprehension of generated images. On our dataset, we have devised four benchmarks to assess the performance of generated image comprehension in relation to both content and style interpretation. These benchmarks encompass prompt inversion, style retrieval, image captioning, and visual question answering. Lastly, we evaluate the performance of state-of-the-art multi-modal models when applied to the JourneyDB dataset, providing a comprehensive analysis of their strengths and limitations in comprehending generated content. We anticipate that the proposed dataset and benchmarks will facilitate further research in the field of generative content understanding. The dataset is publicly available at https://journeydb.github.io.

In generative compressed sensing (GCS), we want to recover a signal $\mathbf{x^*}\in\mathbb{R}^n$ from $m$ measurements ($m\ll n$) using a generative prior $\mathbf{x^*}\in G(\mathbb{B}_2^k(r))$, where $G$ is typically an $L$-Lipschitz continuous generative model and $\mathbb{B}_2^k(r)$ represents the radius-$r$ $\ell_2$-ball in $\mathbb{R}^k$. Under nonlinear measurements, most prior results are non-uniform, i.e., they hold with high probability for a fixed $\mathbf{x^*}$ rather than for all $\mathbf{x^*}$ simultaneously. In this paper, we build a unified framework to derive uniform recovery guarantees for nonlinear GCS where the observation model is nonlinear and possibly discontinuous or unknown. Our framework accommodates GCS with 1-bit/uniformly quantized observations and single index model as canonical examples. Specifically, using a single realization of the sensing ensemble and generalized Lasso, all $\mathbf{x^*}\in G(\mathbb{B}_2^k(r))$ can be recovered up to an $\ell_2$-error at most $\epsilon$ using roughly $\tilde{O}({k}/{\epsilon^2})$ samples, with omitted logarithmic factors typically being dominated by $\log L$. Notably, this almost coincides with existing non-uniform guarantees up to logarithmic factors, hence the uniformity costs very little. As part of our technical contributions, we introduce Lipschitz approximation to handle discontinuous observation models. We also develop a concentration inequality that produces tighter bound for product process whose index sets have low metric entropy. Experimental results are presented to corroborate our theory.