Self-Guided Generation of Minority Samples Using Diffusion Models

We present a novel approach for generating minority samples that live on low-density regions of a data manifold. Our framework is built upon diffusion models, leveraging the principle of guided sampling that incorporates an arbitrary energy-based guidance during inference time. The key defining feature of our sampler lies in its \emph{self-contained} nature, \ie, implementable solely with a pretrained model. This distinguishes our sampler from existing techniques that require expensive additional components (like external classifiers) for minority generation. Specifically, we first estimate the likelihood of features within an intermediate latent sample by evaluating a reconstruction loss w.r.t. its posterior mean. The generation then proceeds with the minimization of the estimated likelihood, thereby encouraging the emergence of minority features in the latent samples of subsequent timesteps. To further improve the performance of our sampler, we provide several time-scheduling techniques that properly manage the influence of guidance over inference steps. Experiments on benchmark real datasets demonstrate that our approach can greatly improve the capability of creating realistic low-likelihood minority instances over the existing techniques without the reliance on costly additional elements. Code is available at \url{https://github.com/soobin-um/sg-minority}.

Deep Diffusion Image Prior for Efficient OOD Adaptation in 3D Inverse Problems

Recent inverse problem solvers that leverage generative diffusion priors have garnered significant attention due to their exceptional quality. However, adaptation of the prior is necessary when there exists a discrepancy between the training and testing distributions. In this work, we propose deep diffusion image prior (DDIP), which generalizes the recent adaptation method of SCD by introducing a formal connection to the deep image prior. Under this framework, we propose an efficient adaptation method dubbed D3IP, specified for 3D measurements, which accelerates DDIP by orders of magnitude while achieving superior performance. D3IP enables seamless integration of 3D inverse solvers and thus leads to coherent 3D reconstruction. Moreover, we show that meta-learning techniques can also be applied to yield even better performance. We show that our method is capable of solving diverse 3D reconstructive tasks from the generative prior trained only with phantom images that are vastly different from the training set, opening up new opportunities of applying diffusion inverse solvers even when training with gold standard data is impossible. Code: https://github.com/HJ-harry/DDIP3D

(Deep) Generative Geodesics

In this work, we propose to study the global geometrical properties of generative models. We introduce a new Riemannian metric to assess the similarity between any two data points. Importantly, our metric is agnostic to the parametrization of the generative model and requires only the evaluation of its data likelihood. Moreover, the metric leads to the conceptual definition of generative distances and generative geodesics, whose computation can be done efficiently in the data space. Their approximations are proven to converge to their true values under mild conditions. We showcase three proof-of-concept applications of this global metric, including clustering, data visualization, and data interpolation, thus providing new tools to support the geometrical understanding of generative models.

CFG++: Manifold-constrained Classifier Free Guidance for Diffusion Models

Classifier-free guidance (CFG) is a fundamental tool in modern diffusion models for text-guided generation. Although effective, CFG has notable drawbacks. For instance, DDIM with CFG lacks invertibility, complicating image editing; furthermore, high guidance scales, essential for high-quality outputs, frequently result in issues like mode collapse. Contrary to the widespread belief that these are inherent limitations of diffusion models, this paper reveals that the problems actually stem from the off-manifold phenomenon associated with CFG, rather than the diffusion models themselves. More specifically, inspired by the recent advancements of diffusion model-based inverse problem solvers (DIS), we reformulate text-guidance as an inverse problem with a text-conditioned score matching loss, and develop CFG++, a novel approach that tackles the off-manifold challenges inherent in traditional CFG. CFG++ features a surprisingly simple fix to CFG, yet it offers significant improvements, including better sample quality for text-to-image generation, invertibility, smaller guidance scales, reduced mode collapse, etc. Furthermore, CFG++ enables seamless interpolation between unconditional and conditional sampling at lower guidance scales, consistently outperforming traditional CFG at all scales. Experimental results confirm that our method significantly enhances performance in text-to-image generation, DDIM inversion, editing, and solving inverse problems, suggesting a wide-ranging impact and potential applications in various fields that utilize text guidance. Project Page: https://cfgpp-diffusion.github.io/.

LDMol: Text-Conditioned Molecule Diffusion Model Leveraging Chemically Informative Latent Space

With the emergence of diffusion models as the frontline of generative models, many researchers have proposed molecule generation techniques using conditional diffusion models. However, due to the fundamental nature of a molecule, which carries highly entangled correlations within a small number of atoms and bonds, it becomes difficult for a model to connect raw data with the conditions when the conditions become more complex as natural language. To address this, here we present a novel latent diffusion model dubbed LDMol, which enables a natural text-conditioned molecule generation. Specifically, LDMol is composed of three building blocks: a molecule encoder that produces a chemically informative feature space, a natural language-conditioned latent diffusion model using a Diffusion Transformer (DiT), and an autoregressive decoder for molecule re. In particular, recognizing that multiple SMILES notations can represent the same molecule, we employ a contrastive learning strategy to extract the chemical informative feature space. LDMol not only beats the existing baselines on the text-to-molecule generation benchmark but is also capable of zero-shot inference with unseen scenarios. Furthermore, we show that LDMol can be applied to downstream tasks such as molecule-to-text retrieval and text-driven molecule editing, demonstrating its versatility as a diffusion model.

MindFormer: A Transformer Architecture for Multi-Subject Brain Decoding via fMRI

Research efforts to understand neural signals have been ongoing for many years, with visual decoding from fMRI signals attracting considerable attention. Particularly, the advent of image diffusion models has advanced the reconstruction of images from fMRI data significantly. However, existing approaches often introduce inter- and intra- subject variations in the reconstructed images, which can compromise accuracy. To address current limitations in multi-subject brain decoding, we introduce a new Transformer architecture called MindFormer. This model is specifically designed to generate fMRI-conditioned feature vectors that can be used for conditioning Stable Diffusion model. More specifically, MindFormer incorporates two key innovations: 1) a novel training strategy based on the IP-Adapter to extract semantically meaningful features from fMRI signals, and 2) a subject specific token and linear layer that effectively capture individual differences in fMRI signals while synergistically combines multi subject fMRI data for training. Our experimental results demonstrate that Stable Diffusion, when integrated with MindFormer, produces semantically consistent images across different subjects. This capability significantly surpasses existing models in multi-subject brain decoding. Such advancements not only improve the accuracy of our reconstructions but also deepen our understanding of neural processing variations among individuals.

Unified Editing of Panorama, 3D Scenes, and Videos Through Disentangled Self-Attention Injection

While text-to-image models have achieved impressive capabilities in image generation and editing, their application across various modalities often necessitates training separate models. Inspired by existing method of single image editing with self attention injection and video editing with shared attention, we propose a novel unified editing framework that combines the strengths of both approaches by utilizing only a basic 2D image text-to-image (T2I) diffusion model. Specifically, we design a sampling method that facilitates editing consecutive images while maintaining semantic consistency utilizing shared self-attention features during both reference and consecutive image sampling processes. Experimental results confirm that our method enables editing across diverse modalities including 3D scenes, videos, and panorama images.

Concept Weaver: Enabling Multi-Concept Fusion in Text-to-Image Models

While there has been significant progress in customizing text-to-image generation models, generating images that combine multiple personalized concepts remains challenging. In this work, we introduce Concept Weaver, a method for composing customized text-to-image diffusion models at inference time. Specifically, the method breaks the process into two steps: creating a template image aligned with the semantics of input prompts, and then personalizing the template using a concept fusion strategy. The fusion strategy incorporates the appearance of the target concepts into the template image while retaining its structural details. The results indicate that our method can generate multiple custom concepts with higher identity fidelity compared to alternative approaches. Furthermore, the method is shown to seamlessly handle more than two concepts and closely follow the semantic meaning of the input prompt without blending appearances across different subjects.

Spectral Motion Alignment for Video Motion Transfer using Diffusion Models

The evolution of diffusion models has greatly impacted video generation and understanding. Particularly, text-to-video diffusion models (VDMs) have significantly facilitated the customization of input video with target appearance, motion, etc. Despite these advances, challenges persist in accurately distilling motion information from video frames. While existing works leverage the consecutive frame residual as the target motion vector, they inherently lack global motion context and are vulnerable to frame-wise distortions. To address this, we present Spectral Motion Alignment (SMA), a novel framework that refines and aligns motion vectors using Fourier and wavelet transforms. SMA learns motion patterns by incorporating frequency-domain regularization, facilitating the learning of whole-frame global motion dynamics, and mitigating spatial artifacts. Extensive experiments demonstrate SMA's efficacy in improving motion transfer while maintaining computational efficiency and compatibility across various video customization frameworks.

OTSeg: Multi-prompt Sinkhorn Attention for Zero-Shot Semantic Segmentation

The recent success of CLIP has demonstrated promising results in zero-shot semantic segmentation by transferring muiltimodal knowledge to pixel-level classification. However, leveraging pre-trained CLIP knowledge to closely align text embeddings with pixel embeddings still has limitations in existing approaches. To address this issue, we propose OTSeg, a novel multimodal attention mechanism aimed at enhancing the potential of multiple text prompts for matching associated pixel embeddings. We first propose Multi-Prompts Sinkhorn (MPS) based on the Optimal Transport (OT) algorithm, which leads multiple text prompts to selectively focus on various semantic features within image pixels. Moreover, inspired by the success of Sinkformers in unimodal settings, we introduce the extension of MPS, called Multi-Prompts Sinkhorn Attention (MPSA), which effectively replaces cross-attention mechanisms within Transformer framework in multimodal settings. Through extensive experiments, we demonstrate that OTSeg achieves state-of-the-art (SOTA) performance with significant gains on Zero-Shot Semantic Segmentation (ZS3) tasks across three benchmark datasets.