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Applications/Computer Vision

Haonan Wang, Xiaomeng Li

Volume-wise labeling in 3D medical images is a time-consuming task that requires expertise. As a result, there is growing interest in using semi-supervised learning (SSL) techniques to train models with limited labeled data. However, the challenges and practical applications extend beyond SSL to settings such as unsupervised domain adaptation (UDA) and semi-supervised domain generalization (SemiDG). This work aims to develop a generic SSL framework that can handle all three settings. We identify two main obstacles to achieving this goal in the existing SSL framework: 1) the weakness of capturing distribution-invariant features; and 2) the tendency for unlabeled data to be overwhelmed by labeled data, leading to over-fitting to the labeled data during training. To address these issues, we propose an Aggregating & Decoupling framework. The aggregating part consists of a Diffusion encoder that constructs a "common knowledge set" by extracting distribution-invariant features from aggregated information from multiple distributions/domains. The decoupling part consists of three decoders that decouple the training process with labeled and unlabeled data, thus avoiding over-fitting to labeled data, specific domains and classes. We evaluate our proposed framework on four benchmark datasets for SSL, Class-imbalanced SSL, UDA and SemiDG. The results showcase notable improvements compared to state-of-the-art methods across all four settings, indicating the potential of our framework to tackle more challenging SSL scenarios. Code and models are available at: https://github.com/xmed-lab/GenericSSL.

Deep Learning/Generative Models and Autoencoders

Dvir Samuel, Rami Ben-Ari, Nir Darshan, Haggai Maron, Gal Chechik

Text-to-image diffusion models show great potential in synthesizing a large variety of concepts in new compositions and scenarios. However, the latent space of initial seeds is still not well understood and its structure was shown to impact the generation of various concepts. Specifically, simple operations like interpolation and finding the centroid of a set of seeds perform poorly when using standard Euclidean or spherical metrics in the latent space. This paper makes the observation that, in current training procedures, diffusion models observed inputs with a narrow range of norm values. This has strong implications for methods that rely on seed manipulation for image generation, with applications to few-shot and long-tail learning tasks. To address this issue, we propose a novel method for interpolating between two seeds and demonstrate that it defines a new non-Euclidean metric that takes into account a norm-based prior on seeds. We describe a simple yet efficient algorithm for approximating this interpolation procedure and use it to further define centroids in the latent seed space. We show that our new interpolation and centroid techniques significantly enhance the generation of rare concept images. This further leads to state-of-the-art performance on few-shot and long-tail benchmarks, improving prior approaches in terms of generation speed, image quality, and semantic content.

Applications/Computer Vision

Guangyao Zhai, Evin Pınar Örnek, Shun-Cheng Wu, Yan Di, Federico Tombari, Nassir Navab, Benjamin Busam

Controllable scene synthesis aims to create interactive environments for numerous industrial use cases. Scene graphs provide a highly suitable interface to facilitate these applications by abstracting the scene context in a compact manner. Existing methods, reliant on retrieval from extensive databases or pre-trained shape embeddings, often overlook scene-object and object-object relationships, leading to inconsistent results due to their limited generation capacity. To address this issue, we present CommonScenes, a fully generative model that converts scene graphs into corresponding controllable 3D scenes, which are semantically realistic and conform to commonsense. Our pipeline consists of two branches, one predicting the overall scene layout via a variational auto-encoder and the other generating compatible shapes via latent diffusion, capturing global scene-object and local inter-object relationships in the scene graph while preserving shape diversity. The generated scenes can be manipulated by editing the input scene graph and sampling the noise in the diffusion model. Due to the lack of a scene graph dataset offering high-quality object-level meshes with relations, we also construct SG-FRONT, enriching the off-the-shelf indoor dataset 3D-FRONT with additional scene graph labels. Extensive experiments are conducted on SG-FRONT, where CommonScenes shows clear advantages over other methods regarding generation consistency, quality, and diversity. Codes and the dataset are available on the website.

Applications/Computer Vision

Cheng-Ju Ho, Chen-Hsuan Tai, Yen-Yu Lin, Ming-Hsuan Yang, Yi-Hsuan Tsai

Semi-supervised object detection is crucial for 3D scene understanding, efficiently addressing the limitation of acquiring large-scale 3D bounding box annotations. Existing methods typically employ a teacher-student framework with pseudo-labeling to leverage unlabeled point clouds. However, producing reliable pseudo-labels in a diverse 3D space still remains challenging. In this work, we propose Diffusion-SS3D, a new perspective of enhancing the quality of pseudo-labels via the diffusion model for semi-supervised 3D object detection. Specifically, we include noises to produce corrupted 3D object size and class label distributions, and then utilize the diffusion model as a denoising process to obtain bounding box outputs. Moreover, we integrate the diffusion model into the teacher-student framework, so that the denoised bounding boxes can be used to improve pseudo-label generation, as well as the entire semi-supervised learning process. We conduct experiments on the ScanNet and SUN RGB-D benchmark datasets to demonstrate that our approach achieves state-of-the-art performance against existing methods. We also present extensive analysis to understand how our diffusion model design affects performance in semi-supervised learning. The source code will be available at https://github.com/luluho1208/Diffusion-SS3D.

Deep Learning/Generative Models and Autoencoders

Yuseung Lee, Kunho Kim, Hyunjin Kim, Minhyuk Sung

The remarkable capabilities of pretrained image diffusion models have been utilized not only for generating fixed-size images but also for creating panoramas. However, naive stitching of multiple images often results in visible seams. Recent techniques have attempted to address this issue by performing joint diffusions in multiple windows and averaging latent features in overlapping regions. However, these approaches, which focus on seamless montage generation, often yield incoherent outputs by blending different scenes within a single image. To overcome this limitation, we propose SyncDiffusion, a plug-and-play module that synchronizes multiple diffusions through gradient descent from a perceptual similarity loss. Specifically, we compute the gradient of the perceptual loss using the predicted denoised images at each denoising step, providing meaningful guidance for achieving coherent montages. Our experimental results demonstrate that our method produces significantly more coherent outputs compared to previous methods (66.35% vs. 33.65% in our user study) while still maintaining fidelity (as assessed by GIQA) and compatibility with the input prompt (as measured by CLIP score). We further demonstrate the versatility of our method across three plug-and-play applications: layout-guided image generation, conditional image generation and 360-degree panorama generation. Our project page is at https://syncdiffusion.github.io.

Deep Learning/Generative Models and Autoencoders

Ge Yuan, Xiaodong Cun, Yong Zhang, Maomao Li, Chenyang Qi, Xintao Wang, Ying Shan, Huicheng Zheng

Exquisite demand exists for customizing the pretrained large text-to-image model, $e.g.$ Stable Diffusion, to generate innovative concepts, such as the users themselves. However, the newly-added concept from previous customization methods often shows weaker combination abilities than the original ones even given several images during training. We thus propose a new personalization method that allows for the seamless integration of a unique individual into the pre-trained diffusion model using just $one\ facial\ photograph$ and only $1024\ learnable\ parameters$ under $3\ minutes$. So we can effortlessly generate stunning images of this person in any pose or position, interacting with anyone and doing anything imaginable from text prompts. To achieve this, we first analyze and build a well-defined celeb basis from the embedding space of the pre-trained large text encoder. Then, given one facial photo as the target identity, we generate its own embedding by optimizing the weight of this basis and locking all other parameters. Empowered by the proposed celeb basis, the new identity in our customized model showcases a better concept combination ability than previous personalization methods. Besides, our model can also learn several new identities at once and interact with each other where the previous customization model fails to. Project page is at: http://celeb-basis.github.io. Code is at: https://github.com/ygtxr1997/CelebBasis.

Applications/Chemistry and Drug Discovery

Yangtian Zhang, Zuobai Zhang, Bozitao Zhong, Sanchit Misra, Jian Tang

Proteins play a critical role in carrying out biological functions, and their 3D structures are essential in determining their functions. Accurately predicting the conformation of protein side-chains given their backbones is important for applications in protein structure prediction, design and protein-protein interactions. Traditional methods are computationally intensive and have limited accuracy, while existing machine learning methods treat the problem as a regression task and overlook the restrictions imposed by the constant covalent bond lengths and angles. In this work, we present DiffPack, a torsional diffusion model that learns the joint distribution of side-chain torsional angles, the only degrees of freedom in side-chain packing, by diffusing and denoising on the torsional space. To avoid issues arising from simultaneous perturbation of all four torsional angles, we propose autoregressively generating the four torsional angles from $\chi_1$ to $\chi_4$ and training diffusion models for each torsional angle. We evaluate the method on several benchmarks for protein side-chain packing and show that our method achieves improvements of 11.9% and 13.5% in angle accuracy on CASP13 and CASP14, respectively, with a significantly smaller model size ($60\times$ fewer parameters). Additionally, we show the effectiveness of our method in enhancing side-chain predictions in the AlphaFold2 model. Code is available at https://github.com/DeepGraphLearning/DiffPack.

Applications/Chemistry and Drug Discovery

Pedro O. Pinheiro, Joshua Rackers, Joseph Kleinhenz, Michael Maser, Omar Mahmood, Andrew Watkins, Stephen Ra, Vishnu Sresht, Saeed Saremi

We propose a new score-based approach to generate 3D molecules represented as atomic densities on regular grids.First, we train a denoising neural network that learns to map from a smooth distribution of noisy molecules to the distribution of real molecules.Then, we follow the _neural empirical Bayes_ framework [Saremi and Hyvarinen, 2019] and generate molecules in two steps: (i) sample noisy density grids from a smooth distribution via underdamped Langevin Markov chain Monte Carlo, and (ii) recover the "clean" molecule by denoising the noisy grid with a single step.Our method, _VoxMol_, generates molecules in a fundamentally different way than the current state of the art (ie, diffusion models applied to atom point clouds). It differs in terms of the data representation, the noise model, the network architecture and the generative modeling algorithm.Our experiments show that VoxMol captures the distribution of drug-like molecules better than state of the art, while being faster to generate samples.

Deep Learning/Generative Models and Autoencoders

Nikita Gushchin, Alexander Kolesov, Alexander Korotin, Dmitry Vetrov, Evgeny Burnaev

We propose a novel neural algorithm for the fundamental problem of computing the entropic optimal transport (EOT) plan between probability distributions which are accessible by samples. Our algorithm is based on the saddle point reformulation of the dynamic version of EOT which is known as the Schrödinger Bridge problem. In contrast to the prior methods for large-scale EOT, our algorithm is end-to-end and consists of a single learning step, has fast inference procedure, and allows handling small values of the entropy regularization coefficient which is of particular importance in some applied problems. Empirically, we show the performance of the method on several large-scale EOT tasks. The code for the ENOT solver can be found at https://github.com/ngushchin/EntropicNeuralOptimalTransport

Deep Learning/Generative Models and Autoencoders

Marco Bellagente, Manuel Brack, Hannah Teufel, Felix Friedrich, Björn Deiseroth, Constantin Eichenberg, Andrew Dai, Robert Baldock, Souradeep Nanda, Koen Oostermeijer 等

The recent popularity of text-to-image diffusion models (DM) can largely be attributed to the intuitive interface they provide to users. The intended generation can be expressed in natural language, with the model producing faithful interpretations of text prompts. However, expressing complex or nuanced ideas in text alone can be difficult. To ease image generation, we propose MultiFusion that allows one to express complex and nuanced concepts with arbitrarily interleaved inputs of multiple modalities and languages. MultiFusion leverages pre-trained models and aligns them for integration into a cohesive system, thereby avoiding the need for extensive training from scratch. Our experimental results demonstrate the efficient transfer of capabilities from individual modules to the downstream model. Specifically, the fusion of all independent components allows the image generation module to utilize multilingual, interleaved multimodal inputs despite being trained solely on monomodal data in a single language.

Social Aspects/Fairness, Equity, Justice and Safety

Xuefeng Du, Yiyou Sun, Jerry Zhu, Yixuan Li

Utilizing auxiliary outlier datasets to regularize the machine learning model has demonstrated promise for out-of-distribution (OOD) detection and safe prediction. Due to the labor intensity in data collection and cleaning, automating outlier data generation has been a long-desired alternative. Despite the appeal, generating photo-realistic outliers in the high dimensional pixel space has been an open challenge for the field. To tackle the problem, this paper proposes a new framework Dream-OOD, which enables imagining photo-realistic outliers by way of diffusion models, provided with only the in-distribution (ID) data and classes. Specifically, Dream-OOD learns a text-conditioned latent space based on ID data, and then samples outliers in the low-likelihood region via the latent, which can be decoded into images by the diffusion model. Different from prior works [16, 95], Dream-OOD enables visualizing and understanding the imagined outliers, directly in the pixel space. We conduct comprehensive quantitative and qualitative studies to understand the efficacy of Dream-OOD, and show that training with the samples generated by Dream-OOD can significantly benefit OOD detection performance.

Deep Learning/Generative Models and Autoencoders

Yanyu Li, Huan Wang, Qing Jin, Ju Hu, Pavlo Chemerys, Yun Fu, Yanzhi Wang, Sergey Tulyakov, Jian Ren

Text-to-image diffusion models can create stunning images from natural language descriptions that rival the work of professional artists and photographers. However, these models are large, with complex network architectures and tens of denoising iterations, making them computationally expensive and slow to run. As a result, high-end GPUs and cloud-based inference are required to run diffusion models at scale. This is costly and has privacy implications, especially when user data is sent to a third party. To overcome these challenges, we present a generic approach that, for the first time, unlocks running text-to-image diffusion models on mobile devices in **less than 2 seconds**. We achieve so by introducing efficient network architecture and improving step distillation. Specifically, we propose an efficient UNet by identifying the redundancy of the original model and reducing the computation of the image decoder via data distillation. Further, we enhance the step distillation by exploring training strategies and introducing regularization from classifier-free guidance. Our extensive experiments on MS-COCO show that our model with $8$ denoising steps achieves better FID and CLIP scores than Stable Diffusion v$1.5$ with $50$ steps. Our work democratizes content creation by bringing powerful text-to-image diffusion models to the hands of users.

Miscellaneous Aspects of Machine Learning/Kernel methods

Anant Raj, Umut Simsekli, Alessandro Rudi

This paper deals with the problem of efficient sampling from a stochastic differential equation, given the drift function and the diffusion matrix. The proposed approach leverages a recent model for probabilities (Rudi and Ciliberto, 2021) (the positive semi-definite -- PSD model) from which it is possible to obtain independent and identically distributed (i.i.d.) samples at precision $\varepsilon$ with a cost that is $m^2 d \log(1/\varepsilon)$ where $m$ is the dimension of the model, $d$ the dimension of the space. The proposed approach consists in: first, computing the PSD model that satisfies the Fokker-Planck equation (or its fractional variant) associated with the SDE, up to error $\varepsilon$, and then sampling from the resulting PSD model. Assuming some regularity of the Fokker-Planck solution (i.e. $\beta$-times differentiability plus some geometric condition on its zeros) We obtain an algorithm that: (a) in the preparatory phase obtains a PSD model with L2 distance $\varepsilon$ from the solution of the equation, with a model of dimension $m = \varepsilon^{-(d+1)/(\beta-2s)} (\log(1/\varepsilon))^{d+1}$ where $1/2\leq s\leq1$ is the fractional power to the Laplacian, and total computational complexity of $O(m^{3.5} \log(1/\varepsilon))$ and then (b) for Fokker-Planck equation, it is able to produce i.i.d.\ samples with error $\varepsilon$ in Wasserstein-1 distance, with a cost that is $O(d \varepsilon^{-2(d+1)/\beta-2} \log(1/\varepsilon)^{2d+3})$ per sample. This means that, if the probability associated with the SDE is somewhat regular, i.e. $\beta \geq 4d+2$, then the algorithm requires $O(\varepsilon^{-0.88} \log(1/\varepsilon)^{4.5d})$ in the preparatory phase, and $O(\varepsilon^{-1/2}\log(1/\varepsilon)^{2d+2})$ for each sample. Our results suggest that as the true solution gets smoother, we can circumvent the curse of dimensionality without requiring any sort of convexity.

Social Aspects/Trustworthy Machine Learning

Yucheng Shi, Mengnan Du, Xuansheng Wu, Zihan Guan, Jin Sun, Ninghao Liu

Backdoor attacks inject poisoned samples into the training data, resulting in the misclassification of the poisoned input during a model's deployment. Defending against such attacks is challenging, especially for real-world black-box models where only query access is permitted. In this paper, we propose a novel defense framework against backdoor attacks through Zero-shot Image Purification (ZIP). Our framework can be applied to poisoned models without requiring internal information about the model or any prior knowledge of the clean/poisoned samples. Our defense framework involves two steps. First, we apply a linear transformation (e.g., blurring) on the poisoned image to destroy the backdoor pattern. Then, we use a pre-trained diffusion model to recover the missing semantic information removed by the transformation. In particular, we design a new reverse process by using the transformed image to guide the generation of high-fidelity purified images, which works in zero-shot settings. We evaluate our ZIP framework on multiple datasets with different types of attacks. Experimental results demonstrate the superiority of our ZIP framework compared to state-of-the-art backdoor defense baselines. We believe that our results will provide valuable insights for future defense methods for black-box models. Our code is available at https://github.com/sycny/ZIP.

Deep Learning/Generative Models and Autoencoders

Anh-Dung Dinh, Daochang Liu, Chang Xu

This paper tackles two critical challenges encountered in classifier guidance for diffusion generative models, i.e., the lack of diversity and the presence of adversarial effects. These issues often result in a scarcity of diverse samples or the generation of non-robust features. The underlying cause lies in the mechanism of classifier guidance, where discriminative gradients push samples to be recognized as conditions aggressively. This inadvertently suppresses information with common features among relevant classes, resulting in a limited pool of features with less diversity or the absence of robust features for image construction.We propose a generalized classifier guidance method called Progressive Guidance, which mitigates the problems by allowing relevant classes' gradients to contribute to shared information construction when the image is noisy in early sampling steps. In the later sampling stage, we progressively enhance gradients to refine the details in the image toward the primary condition. This helps to attain a high level of diversity and robustness compared to the vanilla classifier guidance. Experimental results demonstrate that our proposed method further improves the image quality while offering a significant level of diversity as well as robust features.

Zongsheng Yue, Jianyi Wang, Chen Change Loy

Diffusion-based image super-resolution (SR) methods are mainly limited by the low inference speed due to the requirements of hundreds or even thousands of sampling steps. Existing acceleration sampling techniques inevitably sacrifice performance to some extent, leading to over-blurry SR results. To address this issue, we propose a novel and efficient diffusion model for SR that significantly reduces the number of diffusion steps, thereby eliminating the need for post-acceleration during inference and its associated performance deterioration. Our method constructs a Markov chain that transfers between the high-resolution image and the low-resolution image by shifting the residual between them, substantially improving the transition efficiency. Additionally, an elaborate noise schedule is developed to flexibly control the shifting speed and the noise strength during the diffusion process. Extensive experiments demonstrate that the proposed method obtains superior or at least comparable performance to current state-of-the-art methods on both synthetic and real-world datasets, \textit{\textbf{even only with 20 sampling steps}}. Our code and model will be made publicly.

Applications/Chemistry and Drug Discovery

Youzhi Luo, Chengkai Liu, Shuiwang Ji

We consider the problem of generating periodic materials with deep models. While symmetry-aware molecule generation has been studied extensively, periodic materials possess different symmetries, which have not been completely captured by existing methods.In this work, we propose SyMat, a novel material generation approach that can capture physical symmetries of periodic material structures. SyMat generates atom types and lattices of materials through generating atom type sets, lattice lengths and lattice angles with a variational auto-encoder model. In addition, SyMat employs a score-based diffusion model to generate atom coordinates of materials, in which a novel symmetry-aware probabilistic model is used in the coordinate diffusion process. We show that SyMat is theoretically invariant to all symmetry transformations on materials and demonstrate that SyMat achieves promising performance on random generation and property optimization tasks. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

Social Aspects/Trustworthy Machine Learning

Zhaoyu Chen, Bo Li, Shuang Wu, Kaixun Jiang, Shouhong Ding, Wenqiang Zhang

Unrestricted adversarial attacks typically manipulate the semantic content of an image (e.g., color or texture) to create adversarial examples that are both effective and photorealistic, demonstrating their ability to deceive human perception and deep neural networks with stealth and success. However, current works usually sacrifice unrestricted degrees and subjectively select some image content to guarantee the photorealism of unrestricted adversarial examples, which limits its attack performance. To ensure the photorealism of adversarial examples and boost attack performance, we propose a novel unrestricted attack framework called Content-based Unrestricted Adversarial Attack. By leveraging a low-dimensional manifold that represents natural images, we map the images onto the manifold and optimize them along its adversarial direction. Therefore, within this framework, we implement Adversarial Content Attack (ACA) based on Stable Diffusion and can generate high transferable unrestricted adversarial examples with various adversarial contents. Extensive experimentation and visualization demonstrate the efficacy of ACA, particularly in surpassing state-of-the-art attacks by an average of 13.3-50.4\% and 16.8-48.0\% in normally trained models and defense methods, respectively.

Applications/Computer Vision

Matthew Chang, Aditya Prakash, Saurabh Gupta

The analysis and use of egocentric videos for robotics tasks is made challenging by occlusion and the visual mismatch between the human hand and a robot end-effector. Past work views the human hand as a nuisance and removes it from the scene. However, the hand also provides a valuable signal for learning. In this work, we propose to extract a factored representation of the scene that separates the agent (human hand) and the environment. This alleviates both occlusion and mismatch while preserving the signal, thereby easing the design of models for downstream robotics tasks. At the heart of this factorization is our proposed Video Inpainting via Diffusion Model (VIDM) that leverages both a prior on real-world images (through a large-scale pre-trained diffusion model) and the appearance of the object in earlier frames of the video (through attention). Our experiments demonstrate the effectiveness of VIDM at improving the in-painting quality in egocentric videos and the power of our factored representation for numerous tasks: object detection, 3D reconstruction of manipulated objects, and learning of reward functions, policies, and affordances from videos.

Deep Learning/Generative Models and Autoencoders

Zeyue Xue, Guanglu Song, Qiushan Guo, Boxiao Liu, Zhuofan Zong, Yu Liu, Ping Luo

Text-to-image generation has recently witnessed remarkable achievements. We introduce a text-conditional image diffusion model, termed RAPHAEL, to generate highly artistic images, which accurately portray the text prompts, encompassing multiple nouns, adjectives, and verbs. This is achieved by stacking tens of mixture-of-experts (MoEs) layers, i.e., space-MoE and time-MoE layers, enabling billions of diffusion paths (routes) from the network input to the output. Each path intuitively functions as a "painter" for depicting a particular textual concept onto a specified image region at a diffusion timestep. Comprehensive experiments reveal that RAPHAEL outperforms recent cutting-edge models, such as Stable Diffusion, ERNIE-ViLG 2.0, DeepFloyd, and DALL-E 2, in terms of both image quality and aesthetic appeal. Firstly, RAPHAEL exhibits superior performance in switching images across diverse styles, such as Japanese comics, realism, cyberpunk, and ink illustration. Secondly, a single model with three billion parameters, trained on 1,000 A100 GPUs for two months, achieves a state-of-the-art zero-shot FID score of 6.61 on the COCO dataset. Furthermore, RAPHAEL significantly surpasses its counterparts in human evaluation on the ViLG-300 benchmark. We believe that RAPHAEL holds the potential to propel the frontiers of image generation research in both academia and industry, paving the way for future breakthroughs in this rapidly evolving field. More details can be found on a webpage: https://raphael-painter.github.io/.