The Surprising Effectiveness of Skip-Tuning in Diffusion Sampling

With the incorporation of the UNet architecture, diffusion probabilistic models have become a dominant force in image generation tasks. One key design in UNet is the skip connections between the encoder and decoder blocks. Although skip connections have been shown to improve training stability and model performance, we reveal that such shortcuts can be a limiting factor for the complexity of the transformation. As the sampling steps decrease, the generation process and the role of the UNet get closer to the push-forward transformations from Gaussian distribution to the target, posing a challenge for the network's complexity. To address this challenge, we propose Skip-Tuning, a simple yet surprisingly effective training-free tuning method on the skip connections. Our method can achieve 100% FID improvement for pretrained EDM on ImageNet 64 with only 19 NFEs (1.75), breaking the limit of ODE samplers regardless of sampling steps. Surprisingly, the improvement persists when we increase the number of sampling steps and can even surpass the best result from EDM-2 (1.58) with only 39 NFEs (1.57). Comprehensive exploratory experiments are conducted to shed light on the surprising effectiveness. We observe that while Skip-Tuning increases the score-matching losses in the pixel space, the losses in the feature space are reduced, particularly at intermediate noise levels, which coincide with the most effective range accounting for image quality improvement.

On the Expressive Power of a Variant of the Looped Transformer

Besides natural language processing, transformers exhibit extraordinary performance in solving broader applications, including scientific computing and computer vision. Previous works try to explain this from the expressive power and capability perspectives that standard transformers are capable of performing some algorithms. To empower transformers with algorithmic capabilities and motivated by the recently proposed looped transformer (Yang et al., 2024; Giannou et al., 2023), we design a novel transformer block, dubbed Algorithm Transformer (abbreviated as AlgoFormer). Compared with the standard transformer and vanilla looped transformer, the proposed AlgoFormer can achieve significantly higher expressiveness in algorithm representation when using the same number of parameters. In particular, inspired by the structure of human-designed learning algorithms, our transformer block consists of a pre-transformer that is responsible for task pre-processing, a looped transformer for iterative optimization algorithms, and a post-transformer for producing the desired results after post-processing. We provide theoretical evidence of the expressive power of the AlgoFormer in solving some challenging problems, mirroring human-designed algorithms. Furthermore, some theoretical and empirical results are presented to show that the designed transformer has the potential to be smarter than human-designed algorithms. Experimental results demonstrate the empirical superiority of the proposed transformer in that it outperforms the standard transformer and vanilla looped transformer in some challenging tasks.

Elucidating The Design Space of Classifier-Guided Diffusion Generation

Guidance in conditional diffusion generation is of great importance for sample quality and controllability. However, existing guidance schemes are to be desired. On one hand, mainstream methods such as classifier guidance and classifier-free guidance both require extra training with labeled data, which is time-consuming and unable to adapt to new conditions. On the other hand, training-free methods such as universal guidance, though more flexible, have yet to demonstrate comparable performance. In this work, through a comprehensive investigation into the design space, we show that it is possible to achieve significant performance improvements over existing guidance schemes by leveraging off-the-shelf classifiers in a training-free fashion, enjoying the best of both worlds. Employing calibration as a general guideline, we propose several pre-conditioning techniques to better exploit pretrained off-the-shelf classifiers for guiding diffusion generation. Extensive experiments on ImageNet validate our proposed method, showing that state-of-the-art diffusion models (DDPM, EDM, DiT) can be further improved (up to 20%) using off-the-shelf classifiers with barely any extra computational cost. With the proliferation of publicly available pretrained classifiers, our proposed approach has great potential and can be readily scaled up to text-to-image generation tasks. The code is available at https://github.com/AlexMaOLS/EluCD/tree/main.

Complexity Matters: Rethinking the Latent Space for Generative Modeling

In generative modeling, numerous successful approaches leverage a low-dimensional latent space, e.g., Stable Diffusion models the latent space induced by an encoder and generates images through a paired decoder. Although the selection of the latent space is empirically pivotal, determining the optimal choice and the process of identifying it remain unclear. In this study, we aim to shed light on this under-explored topic by rethinking the latent space from the perspective of model complexity. Our investigation starts with the classic generative adversarial networks (GANs). Inspired by the GAN training objective, we propose a novel "distance" between the latent and data distributions, whose minimization coincides with that of the generator complexity. The minimizer of this distance is characterized as the optimal data-dependent latent that most effectively capitalizes on the generator's capacity. Then, we consider parameterizing such a latent distribution by an encoder network and propose a two-stage training strategy called Decoupled Autoencoder (DAE), where the encoder is only updated in the first stage with an auxiliary decoder and then frozen in the second stage while the actual decoder is being trained. DAE can improve the latent distribution and as a result, improve the generative performance. Our theoretical analyses are corroborated by comprehensive experiments on various models such as VQGAN and Diffusion Transformer, where our modifications yield significant improvements in sample quality with decreased model complexity.

Training Energy-Based Models with Diffusion Contrastive Divergences

Energy-Based Models (EBMs) have been widely used for generative modeling. Contrastive Divergence (CD), a prevailing training objective for EBMs, requires sampling from the EBM with Markov Chain Monte Carlo methods (MCMCs), which leads to an irreconcilable trade-off between the computational burden and the validity of the CD. Running MCMCs till convergence is computationally intensive. On the other hand, short-run MCMC brings in an extra non-negligible parameter gradient term that is difficult to handle. In this paper, we provide a general interpretation of CD, viewing it as a special instance of our proposed Diffusion Contrastive Divergence (DCD) family. By replacing the Langevin dynamic used in CD with other EBM-parameter-free diffusion processes, we propose a more efficient divergence. We show that the proposed DCDs are both more computationally efficient than the CD and are not limited to a non-negligible gradient term. We conduct intensive experiments, including both synthesis data modeling and high-dimensional image denoising and generation, to show the advantages of the proposed DCDs. On the synthetic data learning and image denoising experiments, our proposed DCD outperforms CD by a large margin. In image generation experiments, the proposed DCD is capable of training an energy-based model for generating the Celab-A $32\times 32$ dataset, which is comparable to existing EBMs.

Exact Count of Boundary Pieces of ReLU Classifiers: Towards the Proper Complexity Measure for Classification

Classic learning theory suggests that proper regularization is the key to good generalization and robustness. In classification, current training schemes only target the complexity of the classifier itself, which can be misleading and ineffective. Instead, we advocate directly measuring the complexity of the decision boundary. Existing literature is limited in this area with few well-established definitions of boundary complexity. As a proof of concept, we start by analyzing ReLU neural networks, whose boundary complexity can be conveniently characterized by the number of affine pieces. With the help of tropical geometry, we develop a novel method that can explicitly count the exact number of boundary pieces, and as a by-product, the exact number of total affine pieces. Numerical experiments are conducted and distinctive properties of our boundary complexity are uncovered. First, the boundary piece count appears largely independent of other measures, e.g., total piece count, and $l_2$ norm of weights, during the training process. Second, the boundary piece count is negatively correlated with robustness, where popular robust training techniques, e.g., adversarial training or random noise injection, are found to reduce the number of boundary pieces.

Explore and Exploit the Diverse Knowledge in Model Zoo for Domain Generalization

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

Diff-Instruct: A Universal Approach for Transferring Knowledge From Pre-trained Diffusion Models

Due to the ease of training, ability to scale, and high sample quality, diffusion models (DMs) have become the preferred option for generative modeling, with numerous pre-trained models available for a wide variety of datasets. Containing intricate information about data distributions, pre-trained DMs are valuable assets for downstream applications. In this work, we consider learning from pre-trained DMs and transferring their knowledge to other generative models in a data-free fashion. Specifically, we propose a general framework called Diff-Instruct to instruct the training of arbitrary generative models as long as the generated samples are differentiable with respect to the model parameters. Our proposed Diff-Instruct is built on a rigorous mathematical foundation where the instruction process directly corresponds to minimizing a novel divergence we call Integral Kullback-Leibler (IKL) divergence. IKL is tailored for DMs by calculating the integral of the KL divergence along a diffusion process, which we show to be more robust in comparing distributions with misaligned supports. We also reveal non-trivial connections of our method to existing works such as DreamFusion, and generative adversarial training. To demonstrate the effectiveness and universality of Diff-Instruct, we consider two scenarios: distilling pre-trained diffusion models and refining existing GAN models. The experiments on distilling pre-trained diffusion models show that Diff-Instruct results in state-of-the-art single-step diffusion-based models. The experiments on refining GAN models show that the Diff-Instruct can consistently improve the pre-trained generators of GAN models across various settings.

ConsistentNeRF: Enhancing Neural Radiance Fields with 3D Consistency for Sparse View Synthesis

Neural Radiance Fields (NeRF) has demonstrated remarkable 3D reconstruction capabilities with dense view images. However, its performance significantly deteriorates under sparse view settings. We observe that learning the 3D consistency of pixels among different views is crucial for improving reconstruction quality in such cases. In this paper, we propose ConsistentNeRF, a method that leverages depth information to regularize both multi-view and single-view 3D consistency among pixels. Specifically, ConsistentNeRF employs depth-derived geometry information and a depth-invariant loss to concentrate on pixels that exhibit 3D correspondence and maintain consistent depth relationships. Extensive experiments on recent representative works reveal that our approach can considerably enhance model performance in sparse view conditions, achieving improvements of up to 94% in PSNR, 76% in SSIM, and 31% in LPIPS compared to the vanilla baselines across various benchmarks, including DTU, NeRF Synthetic, and LLFF.

Random Smoothing Regularization in Kernel Gradient Descent Learning

Random smoothing data augmentation is a unique form of regularization that can prevent overfitting by introducing noise to the input data, encouraging the model to learn more generalized features. Despite its success in various applications, there has been a lack of systematic study on the regularization ability of random smoothing. In this paper, we aim to bridge this gap by presenting a framework for random smoothing regularization that can adaptively and effectively learn a wide range of ground truth functions belonging to the classical Sobolev spaces. Specifically, we investigate two underlying function spaces: the Sobolev space of low intrinsic dimension, which includes the Sobolev space in $D$-dimensional Euclidean space or low-dimensional sub-manifolds as special cases, and the mixed smooth Sobolev space with a tensor structure. By using random smoothing regularization as novel convolution-based smoothing kernels, we can attain optimal convergence rates in these cases using a kernel gradient descent algorithm, either with early stopping or weight decay. It is noteworthy that our estimator can adapt to the structural assumptions of the underlying data and avoid the curse of dimensionality. This is achieved through various choices of injected noise distributions such as Gaussian, Laplace, or general polynomial noises, allowing for broad adaptation to the aforementioned structural assumptions of the underlying data. The convergence rate depends only on the effective dimension, which may be significantly smaller than the actual data dimension. We conduct numerical experiments on simulated data to validate our theoretical results.