Don't Play Favorites: Minority Guidance for Diffusion Models

We explore the problem of generating minority samples using diffusion models. The minority samples are instances that lie on low-density regions of a data manifold. Generating sufficient numbers of such minority instances is important, since they often contain some unique attributes of the data. However, the conventional generation process of the diffusion models mostly yields majority samples (that lie on high-density regions of the manifold) due to their high likelihoods, making themselves highly ineffective and time-consuming for the task. In this work, we present a novel framework that can make the generation process of the diffusion models focus on the minority samples. We first provide a new insight on the majority-focused nature of the diffusion models: they denoise in favor of the majority samples. The observation motivates us to introduce a metric that describes the uniqueness of a given sample. To address the inherent preference of the diffusion models w.r.t. the majority samples, we further develop minority guidance, a sampling technique that can guide the generation process toward regions with desired likelihood levels. Experiments on benchmark real datasets demonstrate that our minority guidance can greatly improve the capability of generating the low-likelihood minority samples over existing generative frameworks including the standard diffusion sampler.

ZegOT: Zero-shot Segmentation Through Optimal Transport of Text Prompts

Recent success of large-scale Contrastive Language-Image Pre-training (CLIP) has led to great promise in zero-shot semantic segmentation by transferring image-text aligned knowledge to pixel-level classification. However, existing methods usually require an additional image encoder or retraining/tuning the CLIP module. Here, we present a cost-effective strategy using text-prompt learning that keeps the entire CLIP module frozen while fully leveraging its rich information. Specifically, we propose a novel Zero-shot segmentation with Optimal Transport (ZegOT) method that matches multiple text prompts with frozen image embeddings through optimal transport, which allows each text prompt to efficiently focus on specific semantic attributes. Additionally, we propose Deep Local Feature Alignment (DLFA) that deeply aligns the text prompts with intermediate local feature of the frozen image encoder layers, which significantly boosts the zero-shot segmentation performance. Through extensive experiments on benchmark datasets, we show that our method achieves the state-of-the-art (SOTA) performance with only x7 lighter parameters compared to previous SOTA approaches.

Minimizing Trajectory Curvature of ODE-based Generative Models

Recent ODE/SDE-based generative models, such as diffusion models and flow matching, define a generative process as a time reversal of a fixed forward process. Even though these models show impressive performance on large-scale datasets, numerical simulation requires multiple evaluations of a neural network, leading to a slow sampling speed. We attribute the reason to the high curvature of the learned generative trajectories, as it is directly related to the truncation error of a numerical solver. Based on the relationship between the forward process and the curvature, here we present an efficient method of training the forward process to minimize the curvature of generative trajectories without any ODE/SDE simulation. Experiments show that our method achieves a lower curvature than previous models and, therefore, decreased sampling costs while maintaining competitive performance. Code is available at https://github.com/sangyun884/fast-ode.

Annealed Score-Based Diffusion Model for MR Motion Artifact Reduction

Motion artifact reduction is one of the important research topics in MR imaging, as the motion artifact degrades image quality and makes diagnosis difficult. Recently, many deep learning approaches have been studied for motion artifact reduction. Unfortunately, most existing models are trained in a supervised manner, requiring paired motion-corrupted and motion-free images, or are based on a strict motion-corruption model, which limits their use for real-world situations. To address this issue, here we present an annealed score-based diffusion model for MRI motion artifact reduction. Specifically, we train a score-based model using only motion-free images, and then motion artifacts are removed by applying forward and reverse diffusion processes repeatedly to gradually impose a low-frequency data consistency. Experimental results verify that the proposed method successfully reduces both simulated and in vivo motion artifacts, outperforming the state-of-the-art deep learning methods.

MS-DINO: Efficient Distributed Training of Vision Transformer Foundation Model in Medical Domain through Masked Sampling

In spite of the recent success of deep learning in the medical domain, the problem of data scarcity in the medical domain gets aggravated due to privacy and data ownership issues. Distributed learning approaches including federated learning have been studied to alleviate the problems, but they suffer from cumbersome communication overheads and weakness in privacy protection. To address this, here we propose a self-supervised masked sampling distillation method for vision transformer that can be performed without continuous communication but still enhance privacy using a vision transformer-specific encryption method. The effectiveness of our method is demonstrated with extensive experiments on two medical domain data and two different downstream tasks, showing superior performances than those obtained with the existing distributed learning strategy as well as the fine-tuning only baseline. As the self-supervised model built with the proposed method is capable of having a general semantic understanding of the modality, we demonstrate its potential as a task-agnostic foundation model for various medical tasks, widening the applicability in the medical domain.

Parallel Diffusion Models of Operator and Image for Blind Inverse Problems

Diffusion model-based inverse problem solvers have demonstrated state-of-the-art performance in cases where the forward operator is known (i.e. non-blind). However, the applicability of the method to blind inverse problems has yet to be explored. In this work, we show that we can indeed solve a family of blind inverse problems by constructing another diffusion prior for the forward operator. Specifically, parallel reverse diffusion guided by gradients from the intermediate stages enables joint optimization of both the forward operator parameters as well as the image, such that both are jointly estimated at the end of the parallel reverse diffusion procedure. We show the efficacy of our method on two representative tasks -- blind deblurring, and imaging through turbulence -- and show that our method yields state-of-the-art performance, while also being flexible to be applicable to general blind inverse problems when we know the functional forms.

Solving 3D Inverse Problems using Pre-trained 2D Diffusion Models

Diffusion models have emerged as the new state-of-the-art generative model with high quality samples, with intriguing properties such as mode coverage and high flexibility. They have also been shown to be effective inverse problem solvers, acting as the prior of the distribution, while the information of the forward model can be granted at the sampling stage. Nonetheless, as the generative process remains in the same high dimensional (i.e. identical to data dimension) space, the models have not been extended to 3D inverse problems due to the extremely high memory and computational cost. In this paper, we combine the ideas from the conventional model-based iterative reconstruction with the modern diffusion models, which leads to a highly effective method for solving 3D medical image reconstruction tasks such as sparse-view tomography, limited angle tomography, compressed sensing MRI from pre-trained 2D diffusion models. In essence, we propose to augment the 2D diffusion prior with a model-based prior in the remaining direction at test time, such that one can achieve coherent reconstructions across all dimensions. Our method can be run in a single commodity GPU, and establishes the new state-of-the-art, showing that the proposed method can perform reconstructions of high fidelity and accuracy even in the most extreme cases (e.g. 2-view 3D tomography). We further reveal that the generalization capacity of the proposed method is surprisingly high, and can be used to reconstruct volumes that are entirely different from the training dataset.

Molecular Structure-Property Co-Trained Foundation Model for In Silico Chemistry

Recently, deep learning approaches have been extensively studied for various problems in chemistry, such as virtual screening, de novo molecule design, etc. Despite the impressive successes, end-to-end training for specific tasks usually requires separately designed networks, so it's often difficult to acquire a unified principle to synergistically combine existing architectures and training datasets for novel tasks. To address this, inspired by recent advances of pre-trained multi-modal foundation models such as Vision-Language Pretrained models (VLP), here we present a novel multimodal foundation model that can be used {\em in silico} for various downstream tasks in chemistry. Specifically, our framework, dubbed as the structure-property multi-modal (SPMM) foundation model, is based on the dual-stream transformer with X-shape attention, so that it can align the molecule structure and the chemical properties in a common embedding space. Accordingly, SPMM can simultaneously perform chemical property prediction from given structure-describing strings and allows the generation of molecular structures for given chemical properties, which was previously not possible with a single architecture. Furthermore, we show that the outstanding unimodal representation of a molecule emerges from multimodal learning, which has the potential to be fine-tuned for many other downstream tasks.

Magnitude and Angle Dynamics in Training Single ReLU Neurons

To understand learning the dynamics of deep ReLU networks, we investigate the dynamic system of gradient flow $w(t)$ by decomposing it to magnitude $w(t)$ and angle $\phi(t):= \pi - \theta(t) $ components. In particular, for multi-layer single ReLU neurons with spherically symmetric data distribution and the square loss function, we provide upper and lower bounds for magnitude and angle components to describe the dynamics of gradient flow. Using the obtained bounds, we conclude that small scale initialization induces slow convergence speed for deep single ReLU neurons. Finally, by exploiting the relation of gradient flow and gradient descent, we extend our results to the gradient descent approach. All theoretical results are verified by experiments.

Self-supervised debiasing using low rank regularization

Spurious correlations can cause strong biases in deep neural networks, impairing generalization ability. While most of existing debiasing methods require full supervisions on either spurious attributes or target labels, training a debiased model from a limited amount of both annotations is still an open issue. To overcome such limitations, we first examined an interesting phenomenon by the spectral analysis of latent representations: spuriously correlated, easy-to-learn attributes make neural networks inductively biased towards encoding lower effective rank representations. We also show that a rank regularization can amplify this bias in a way that encourages highly correlated features. Motivated by these observations, we propose a self-supervised debiasing framework that is potentially compatible with unlabeled samples. We first pretrain a biased encoder in a self-supervised manner with the rank regularization, serving as a semantic bottleneck to enforce the encoder to learn the spuriously correlated attributes. This biased encoder is then used to discover and upweight bias-conflicting samples in a downstream task, serving as a boosting to effectively debias the main model. Remarkably, the proposed debiasing framework significantly improves the generalization performance of self-supervised learning baselines and, in some cases, even outperforms state-of-the-art supervised debiasing approaches.