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Jiahui Qu, Yuanbo Yang, Wenqian Dong, Yufei Yang

Recent research on the joint classification of multimodal remote sensing data has achieved great success. However, due to the limitations imposed by imaging conditions, the case of missing modalities often occurs in practice. Most previous researchers regard the classification in case of different missing modalities as independent tasks. They train a specific classification model for each fixed missing modality by extracting multimodal joint representation, which cannot handle the classification of arbitrary (including multiple and random) missing modalities. In this work, we propose a local diffusion shared-specific autoencoder (LDS2AE), which solves the classification of arbitrary missing modalities with a single model. The LDS2AE captures the data distribution of different modalities to learn multimodal shared feature for classification by designing a novel local diffusion autoencoder which consists of a modality-shared encoder and several modality-specific decoders. The modality-shared encoder is designed to extract multimodal shared feature by employing the same parameters to map multimodal data into a shared subspace. The modality-specific decoders put the multimodal shared feature to reconstruct the image of each modality, which facilitates the shared feature to learn unique information of different modalities. In addition, we incorporate masked training to the diffusion autoencoder to achieve local diffusion, which significantly reduces the training cost of model. The approach is tested on widely-used multimodal remote sensing datasets, demonstrating the effectiveness of the proposed LDS2AE in addressing the classification of arbitrary missing modalities. The code is available at https://github.com/Jiahuiqu/LDS2AE.

Maitreya Patel, Tejas Gokhale, Chitta Baral, Yezhou Yang

The ability to understand visual concepts and replicate and compose these concepts from images is a central goal for computer vision. Recent advances in text-to-image (T2I) models have lead to high definition and realistic image quality generation by learning from large databases of images and their descriptions. However, the evaluation of T2I models has focused on photorealism and limited qualitative measures of visual understanding. To quantify the ability of T2I models in learning and synthesizing novel visual concepts (a.k.a. personalized T2I), we introduce ConceptBed, a large-scale dataset that consists of 284 unique visual concepts, and 33K composite text prompts. Along with the dataset, we propose an evaluation metric, Concept Confidence Deviation (CCD), that uses the confidence of oracle concept classifiers to measure the alignment between concepts generated by T2I generators and concepts contained in target images. We evaluate visual concepts that are either objects, attributes, or styles, and also evaluate four dimensions of compositionality: counting, attributes, relations, and actions. Our human study shows that CCD is highly correlated with human understanding of concepts. Our results point to a trade-off between learning the concepts and preserving the compositionality which existing approaches struggle to overcome. The data, code, and interactive demo is available at: https://conceptbed.github.io/

Viet Nguyen, Giang Vu, Tung Nguyen Thanh, Khoat Than, Toan Tran

Denoising Probabilistic Models (DPMs) represent an emerging domain of generative models that excel in generating diverse and high-quality images. However, most current training methods for DPMs often neglect the correlation between timesteps, limiting the model's performance in generating images effectively. Notably, we theoretically point out that this issue can be caused by the cumulative estimation gap between the predicted and the actual trajectory. To minimize that gap, we propose a novel sequence-aware loss that aims to reduce the estimation gap to enhance the sampling quality. Furthermore, we theoretically show that our proposed loss function is a tighter upper bound of the estimation loss in comparison with the conventional loss in DPMs. Experimental results on several benchmark datasets including CIFAR10, CelebA, and CelebA-HQ consistently show a remarkable improvement of our proposed method regarding the image generalization quality measured by FID and Inception Score compared to several DPM baselines. Our code and pre-trained checkpoints are available at https://github.com/VinAIResearch/SA-DPM.

Nicholas Lui, Bryan Chia, William Berrios, Candace Ross, Douwe Kiela

Computer vision models have been known to encode harmful biases, leading to the potentially unfair treatment of historically marginalized groups, such as people of color. However, there remains a lack of datasets balanced along demographic traits that can be used to evaluate the downstream fairness of these models. In this work, we demonstrate that diffusion models can be leveraged to create such a dataset. We first use a diffusion model to generate a large set of images depicting various occupations. Subsequently, each image is edited using inpainting to generate multiple variants, where each variant refers to a different perceived race. Using this dataset, we benchmark several vision-language models on a multi-class occupation classification task. We find that images generated with non-Caucasian labels have a significantly higher occupation misclassification rate than images generated with Caucasian labels, and that several misclassifications are suggestive of racial biases. We measure a model’s downstream fairness by computing the standard deviation in the probability of predicting the true occupation label across the different identity groups. Using this fairness metric, we find significant disparities between the evaluated vision-and-language models. We hope that our work demonstrates the potential value of diffusion methods for fairness evaluations.

Zhen Liu, Wenbin Pei, Disen Lan, Qianli Ma

Semi-supervised time-series classification could effectively alleviate the issue of lacking labeled data. However, existing approaches usually ignore model interpretability, making it difficult for humans to understand the principles behind the predictions of a model. Shapelets are a set of discriminative subsequences that show high interpretability in time series classification tasks. Shapelet learning-based methods have demonstrated promising classification performance. Unfortunately, without enough labeled data, the shapelets learned by existing methods are often poorly discriminative, and even dissimilar to any subsequence of the original time series. To address this issue, we propose the Diffusion Language-Shapelets model (DiffShape) for semi-supervised time series classification. In DiffShape, a self-supervised diffusion learning mechanism is designed, which uses real subsequences as a condition. This helps to increase the similarity between the learned shapelets and real subsequences by using a large amount of unlabeled data. Furthermore, we introduce a contrastive language-shapelets learning strategy that improves the discriminability of the learned shapelets by incorporating the natural language descriptions of the time series. Experiments have been conducted on the UCR time series archive, and the results reveal that the proposed DiffShape method achieves state-of-the-art performance and exhibits superior interpretability over baselines.

Yuxuan Liu, Tianchi Yang, Shaohan Huang, Zihan Zhang, Haizhen Huang, Furu Wei, Weiwei Deng, Feng Sun, Qi Zhang

Diffusion models have demonstrated exceptional capability in generating high-quality images, videos, and audio. Due to their adaptiveness in iterative refinement, they provide a strong potential for achieving better non-autoregressive sequence generation. However, existing text diffusion models still fall short in their performance due to a challenge in handling the discreteness of language. This paper thoroughly analyzes text diffusion models and uncovers two significant limitations: degradation of self-conditioning during training and misalignment between training and sampling. Motivated by our findings, we propose a novel Text Diffusion model called TReC, which mitigates the degradation with Reinforced Conditioning and the misalignment by Time-Aware Variance Scaling. Our extensive experiments demonstrate the competitiveness of TReC against autoregressive, non-autoregressive, and diffusion baselines. Moreover, qualitative analysis shows its advanced ability to fully utilize the diffusion process in refining samples.

Yunchen Li, Zhou Yu, Gaoqi He, Yunhang Shen, Ke Li, Xing Sun, Shaohui Lin

Symmetric positive definite(SPD) matrices have shown important value and applications in statistics and machine learning, such as FMRI analysis and traffic prediction. Previous works on SPD matrices mostly focus on discriminative models, where predictions are made directly on E(X|y), where y is a vector and X is an SPD matrix. However, these methods are challenging to handle for large-scale data. In this paper, inspired by denoising diffusion probabilistic model(DDPM), we propose a novel generative model, termed SPD-DDPM, by introducing Gaussian distribution in the SPD space to estimate E(X|y). Moreover, our model can estimate p(X) unconditionally and flexibly without giving y. On the one hand, the model conditionally learns p(X|y) and utilizes the mean of samples to obtain E(X|y) as a prediction. On the other hand, the model unconditionally learns the probability distribution of the data p(X) and generates samples that conform to this distribution. Furthermore, we propose a new SPD net which is much deeper than the previous networks and allows for the inclusion of conditional factors. Experiment results on toy data and real taxi data demonstrate that our models effectively fit the data distribution both unconditionally and conditionally.

Yunsung Lee, JinYoung Kim, Hyojun Go, Myeongho Jeong, Shinhyeok Oh, Seungtaek Choi

In this paper, we address the performance degradation of efficient diffusion models by introducing Multi-architecturE Multi-Expert diffusion models (MEME). We identify the need for tailored operations at different time-steps in diffusion processes and leverage this insight to create compact yet high-performing models. MEME assigns distinct architectures to different time-step intervals, balancing convolution and self-attention operations based on observed frequency characteristics. We also introduce a soft interval assignment strategy for comprehensive training. Empirically, MEME operates 3.3 times faster than baselines while improving image generation quality (FID scores) by 0.62 (FFHQ) and 0.37 (CelebA). Though we validate the effectiveness of assigning more optimal architecture per time-step, where efficient models outperform the larger models, we argue that MEME opens a new design choice for diffusion models that can be easily applied in other scenarios, such as large multi-expert models.

Danyeong Lee, Dohoon Lee, Dongmin Bang, Sun Kim

The generation of energetically optimal 3D molecular conformers is crucial in cheminformatics and drug discovery. While deep generative models have been utilized for direct generation in Euclidean space, this approach encounters challenges, including the complexity of navigating a vast search space. Recent generative models that implement simplifications to circumvent these challenges have achieved state-of-the-art results, but this simplified approach unavoidably creates a gap between the generated conformers and the ground-truth conformational landscape. To bridge this gap, we introduce DiSCO: Diffusion Schrödinger Bridge for Molecular Conformer Optimization, a novel diffusion framework that enables direct learning of nonlinear diffusion processes in prior-constrained Euclidean space for the optimization of 3D molecular conformers. Through the incorporation of an SE(3)-equivariant Schrödinger bridge, we establish the roto-translational equivariance of the generated conformers. Our framework is model-agnostic and offers an easily implementable solution for the post hoc optimization of conformers produced by any generation method. Through comprehensive evaluations and analyses, we establish the strengths of our framework, substantiating the application of the Schrödinger bridge for molecular conformer optimization. First, our approach consistently outperforms four baseline approaches, producing conformers with higher diversity and improved quality. Then, we show that the intermediate conformers generated during our diffusion process exhibit valid and chemically meaningful characteristics. We also demonstrate the robustness of our method when starting from conformers of diverse quality, including those unseen during training. Lastly, we show that the precise generation of low-energy conformers via our framework helps in enhancing the downstream prediction of molecular properties. The code is available at https://github.com/Danyeong-Lee/DiSCO.

Guipeng Lan, Shuai Xiao, Jiachen Yang, Jiabao Wen

How to balance the diversity and quality of results from generative models through perception rectification poses a significant challenge. Abnormal perception in generative models is typically caused by two factors: inadequate model structure and imbalanced data distribution. In response to this issue, we propose the dynamic model perception rectification algorithm (DMPRA) for generalized generative models. The core idea is to gain a comprehensive perception of the data in the generative model by appropriately highlighting the low-density samples in the perception space, also known as the minor group samples. The entire process can be summarized as "search-evaluation-adjustment". To identify low-density regions in the data manifold within the perception space of generative models, we introduce a filtering method based on extended neighborhood sampling. Based on the informational value of samples from low-density regions, our proposed mechanism generates informative weights to assess the significance of these samples in correcting the models' perception. By using dynamic adjustment, DMPRA ensures simultaneous enhancement of diversity and quality in the presence of imbalanced data distribution. Experimental results indicate that the algorithm has effectively improved Generative Adversarial Nets (GANs), Normalizing Flows (Flows), Variational Auto-Encoders (VAEs), and Diffusion Models (Diffusion).

Woo Kyung Kim, Minjong Yoo, Honguk Woo

Skill-based reinforcement learning (RL) approaches have shown considerable promise, especially in solving long-horizon tasks via hierarchical structures. These skills, learned task-agnostically from offline datasets, can accelerate the policy learning process for new tasks. Yet, the application of these skills in different domains remains restricted due to their inherent dependency on the datasets, which poses a challenge when attempting to learn a skill-based policy via RL for a target domain different from the datasets' domains. In this paper, we present a novel offline skill learning framework DuSkill which employs a guided Diffusion model to generate versatile skills extended from the limited skills in datasets, thereby enhancing the robustness of policy learning for tasks in different domains. Specifically, we devise a guided diffusion-based skill decoder in conjunction with the hierarchical encoding to disentangle the skill embedding space into two distinct representations, one for encapsulating domain-invariant behaviors and the other for delineating the factors that induce domain variations in the behaviors. Our DuSkill framework enhances the diversity of skills learned offline, thus enabling to accelerate the learning procedure of high-level policies for different domains. Through experiments, we show that DuSkill outperforms other skill-based imitation learning and RL algorithms for several long-horizon tasks, demonstrating its benefits in few-shot imitation and online RL.

Sungyoon Kim, Yunseon Choi, Daiki E. Matsunaga, Kee-Eung Kim

Offline Goal-Conditioned Reinforcement Learning (Offline GCRL) is an important problem in RL that focuses on acquiring diverse goal-oriented skills solely from pre-collected behavior datasets. In this setting, the reward feedback is typically absent except when the goal is achieved, which makes it difficult to learn policies especially from a finite dataset of suboptimal behaviors. In addition, realistic scenarios involve long-horizon planning, which necessitates the extraction of useful skills within sub-trajectories. Recently, the conditional diffusion model has been shown to be a promising approach to generate high-quality long-horizon plans for RL. However, their practicality for the goal-conditioned setting is still limited due to a number of technical assumptions made by the methods. In this paper, we propose SSD (Sub-trajectory Stitching with Diffusion), a model-based offline GCRL method that leverages the conditional diffusion model to address these limitations. In summary, we use the diffusion model that generates future plans conditioned on the target goal and value, with the target value estimated from the goal-relabeled offline dataset. We report state-of-the-art performance in the standard benchmark set of GCRL tasks, and demonstrate the capability to successfully stitch the segments of suboptimal trajectories in the offline data to generate high-quality plans.

Yesukhei Jagvaral, Francois Lanusse, Rachel Mandelbaum

Diffusion-based generative models represent the current state-of-the-art for image generation. However, standard diffusion models are based on Euclidean geometry and do not translate directly to manifold-valued data. In this work, we develop extensions of both score-based generative models (SGMs) and Denoising Diffusion Probabilistic Models (DDPMs) to the Lie group of 3D rotations, SO(3). SO(3) is of particular interest in many disciplines such as robotics, biochemistry and astronomy/cosmology science. Contrary to more general Riemannian manifolds, SO(3) admits a tractable solution to heat diffusion, and allows us to implement efficient training of diffusion models. We apply both SO(3) DDPMs and SGMs to synthetic densities on SO(3) and demonstrate state-of-the-art results. Additionally, we demonstrate the practicality of our model on pose estimation tasks and in predicting correlated galaxy orientations for astrophysics/cosmology.

Zhilin Huang, Ling Yang, Zaixi Zhang, Xiangxin Zhou, Yu Bao, Xiawu Zheng, Yuwei Yang, Yu Wang, Wenming Yang

Structure-based drug design (SBDD) aims to generate 3D ligand molecules that bind to specific protein targets. Existing 3D deep generative models including diffusion models have shown great promise for SBDD. However, it is complex to capture the essential protein-ligand interactions exactly in 3D space for molecular generation. To address this problem, we propose a novel framework, namely Binding-Adaptive Diffusion Models (BindDM). In BindDM, we adaptively extract subcomplex, the essential part of binding sites responsible for protein-ligand interactions. Then the selected protein-ligand subcomplex is processed with SE(3)-equivariant neural networks, and transmitted back to each atom of the complex for augmenting the target-aware 3D molecule diffusion generation with binding interaction information. We iterate this hierarchical complex-subcomplex process with cross-hierarchy interaction node for adequately fusing global binding context between the complex and its corresponding subcomplex. Empirical studies on the CrossDocked2020 dataset show BindDM can generate molecules with more realistic 3D structures and higher binding affinities towards the protein targets, with up to -5.92 Avg. Vina Score, while maintaining proper molecular properties. Our code is available at https://github.com/YangLing0818/BindDM

Shibo Feng, Chunyan Miao, Zhong Zhang, Peilin Zhao

The probability prediction of multivariate time series is a notoriously challenging but practical task. This research proposes to condense high-dimensional multivariate time series forecasting into a problem of latent space time series generation, to improve the expressiveness of each timestamp and make forecasting more manageable. To solve the problem that the existing work is hard to extend to high-dimensional multivariate time series, we present a latent multivariate time series diffusion framework called Latent Diffusion Transformer (LDT), which consists of a symmetric statistics-aware autoencoder and a diffusion-based conditional generator, to implement this idea. Through careful design, the time series autoencoder can compress multivariate timestamp patterns into a concise latent representation by considering dynamic statistics. Then, the diffusion-based conditional generator is able to efficiently generate realistic multivariate timestamp values on a continuous latent space under a novel self-conditioning guidance which is modeled in a non-autoregressive way. Extensive experiments demonstrate that our model achieves state-of-the-art performance on many popular high-dimensional multivariate time series datasets.

Moshe Eliasof, Eldad Haber, Eran Treister

Graph neural networks (GNNs) have shown remarkable success in learning representations for graph-structured data. However, GNNs still face challenges in modeling complex phenomena that involve feature transportation. In this paper, we propose a novel GNN architecture inspired by Advection-Diffusion-Reaction systems, called ADR-GNN. Advection models feature transportation, while diffusion captures the local smoothing of features, and reaction represents the non-linear transformation between feature channels. We provide an analysis of the qualitative behavior of ADR-GNN, that shows the benefit of combining advection, diffusion, and reaction. To demonstrate its efficacy, we evaluate ADR-GNN on real-world node classification and spatio-temporal datasets, and show that it improves or offers competitive performance compared to state-of-the-art networks.

Karthik Elamvazhuthi, Xuechen Zhang, Matthew Jacobs, Samet Oymak, Fabio Pasqualetti

Score matching based diffusion has shown to achieve the state of art results in generation modeling. In the original score matching based diffusion algorithm, the forward equation is a differential equation for which the probability density equation evolves according to a linear partial differential equation, the Fokker-Planck equation. A drawback of this approach is that one needs the data distribution to have a Lipschitz logarithmic gradient. This excludes a large class of data distributions that have a compact support. We present a deterministic diffusion process for which the vector fields are always Lipschitz and hence the score does not explode for probability measures with compact support. This deterministic diffusion process can be seen as a regularization of the porous media equation equation, which enables one to guarantee long term convergence of the forward process to the noise distribution. Though the porous media equation is itself not always guaranteed to have a Lipschitz vector field, it can be used to understand the closeness of the output of the algorithm to the data distribution as a function of the the time horizon and score matching error. This analysis enables us to show that the algorithm has better dependence on the score matching error than approaches based on stochastic diffusions. Using numerical experiments we verify our theoretical results on example one and two dimensional data distributions which are compactly supported. Additionally, we validate the approach on a modified MNIST data set for which the distribution is concentrated on a compact set. In each of the experiments, the approach using deterministic diffusion performs better that the diffusion algorithm with stochastic forward process, when considering the FID scores of the generated samples.

Xin Ding, Yongwei Wang, Zuheng Xu

Continuous Conditional Generative Adversarial Networks (CcGANs) enable generative modeling conditional on continuous scalar variables (termed regression labels). However, they can produce subpar fake images due to limited training data. Although Negative Data Augmentation (NDA) effectively enhances unconditional and class-conditional GANs by introducing anomalies into real training images, guiding the GANs away from low-quality outputs, its impact on CcGANs is limited, as it fails to replicate negative samples that may occur during the CcGAN sampling. We present a novel NDA approach called Dual-NDA specifically tailored for CcGANs to address this problem. Dual-NDA employs two types of negative samples: visually unrealistic images generated from a pre-trained CcGAN and label-inconsistent images created by manipulating real images' labels. Leveraging these negative samples, we introduce a novel discriminator objective alongside a modified CcGAN training algorithm. Empirical analysis on UTKFace and Steering Angle reveals that Dual-NDA consistently enhances the visual fidelity and label consistency of fake images generated by CcGANs, exhibiting a substantial performance gain over the vanilla NDA. Moreover, by applying Dual-NDA, CcGANs demonstrate a remarkable advancement beyond the capabilities of state-of-the-art conditional GANs and diffusion models, establishing a new pinnacle of performance. Our codes can be found at https://github.com/UBCDingXin/Dual-NDA.

Shengwei An, Sheng-Yen Chou, Kaiyuan Zhang, Qiuling Xu, Guanhong Tao, Guangyu Shen, Siyuan Cheng, Shiqing Ma, Pin-Yu Chen, Tsung-Yi Ho 等

Diffusion models (DM) have become state-of-the-art generative models because of their capability of generating high-quality images from noises without adversarial training. However, they are vulnerable to backdoor attacks as reported by recent studies. When a data input (e.g., some Gaussian noise) is stamped with a trigger (e.g., a white patch), the backdoored model always generates the target image (e.g., an improper photo). However, effective defense strategies to mitigate backdoors from DMs are underexplored. To bridge this gap, we propose the first backdoor detection and removal framework for DMs. We evaluate our framework Elijah on over hundreds of DMs of 3 types including DDPM, NCSN and LDM, with 13 samplers against 3 existing backdoor attacks. Extensive experiments show that our approach can have close to 100% detection accuracy and reduce the backdoor effects to close to zero without significantly sacrificing the model utility.

Wenjie Yin, Yi Yu, Hang Yin, Danica Kragic, Mårten Björkman

Current training of motion style transfer systems relies on consistency losses across style domains to preserve contents, hindering its scalable application to a large number of domains and private data. Recent image transfer works show the potential of independent training on each domain by leveraging implicit bridging between diffusion models, with the content preservation, however, limited to simple data patterns. We address this by imposing biased sampling in backward diffusion while maintaining the domain independence in the training stage. We construct the bias from the source domain keyframes and apply them as the gradient of content constraints, yielding a framework with keyframe manifold constraint gradients (KMCGs). Our validation demonstrates the success of training separate models to transfer between as many as ten dance motion styles. Comprehensive experiments find a significant improvement in preserving motion contents in comparison to baseline and ablative diffusion-based style transfer models. In addition, we perform a human study for a subjective assessment of the quality of generated dance motions. The results validate the competitiveness of KMCGs.