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Deep Learning · Graph Neural Networks

Karish Grover, Geoff Gordon, Christos Faloutsos

Does the intrinsic curvature of complex networks hold the key to unveiling graph anomalies that conventional approaches overlook? Reconstruction-based graph anomaly detection (GAD) methods overlook such geometric outliers, focusing only on structural and attribute-level anomalies. To this end, we propose CurvGAD - a mixed-curvature graph autoencoder that introduces the notion of curvature-based geometric anomalies. CurvGAD introduces two parallel pipelines for enhanced anomaly interpretability: (1) Curvature-equivariant geometry reconstruction, which focuses exclusively on reconstructing the edge curvatures using a mixed-curvature, Riemannian encoder and Gaussian kernel-based decoder; and (2) Curvature-invariant structure and attribute reconstruction, which decouples structural and attribute anomalies from geometric irregularities by regularizing graph curvature under discrete Ollivier-Ricci flow, thereby isolating the non-geometric anomalies. By leveraging curvature, CurvGAD refines the existing anomaly classifications and identifies new curvature-driven anomalies. Extensive experimentation over 10 real-world datasets (both homophilic and heterophilic) demonstrates an improvement of up to 6.5% over state-of-the-art GAD methods. The code is available at: https://github.com/karish-grover/curvgad.

Deep Learning · Generative Models and Autoencoders

Sucheng Ren, Qihang Yu, Ju He, Xiaohui Shen, Alan Yuille, Liang-Chieh Chen

Autoregressive (AR) modeling has achieved remarkable success in natural language processing by enabling models to generate text with coherence and contextual understanding through next token prediction. Recently, in image generation, VAR proposes scale-wise autoregressive modeling, which extends the next token prediction to the next scale prediction, preserving the 2D structure of images. However, VAR encounters two primary challenges: (1) its complex and rigid scale design limits generalization in next scale prediction, and (2) the generator’s dependence on a discrete tokenizer with the same complex scale structure restricts modularity and flexibility in updating the tokenizer. To address these limitations, we introduce FlowAR, a general next scale prediction method featuring a streamlined scale design, where each subsequent scale is simply double the previous one. This eliminates the need for VAR’s intricate multi-scale residual tokenizer and enables the use of any off-the-shelf Variational AutoEncoder (VAE). Our simplified design enhances generalization in next scale prediction and facilitates the integration of Flow Matching for high-quality image synthesis. We validate the effectiveness of FlowAR on the challenging ImageNet-256 benchmark, demonstrating superior generation performance compared to previous methods. Codes is available at \href{https://github.com/OliverRensu/FlowAR}{https://github.com/OliverRensu/FlowAR}.

Deep Learning · Generative Models and Autoencoders

Xiancheng Sun, Senmao Ma, Shengxi Li, Mai Xu, Jingyuan Xia, Lai Jiang, Xin Deng, Jiali Wang

Panoramic image outpainting acts as a pivotal role in immersive content generation, allowing for seamless restoration and completion of panoramic content. Given the fact that the majority of generative outpainting solutions operates on planar images, existing methods for panoramic images address the sphere nature by soft regularisation during the end-to-end learning, which still fails to fully exploit the spherical content. In this paper, we set out the first attempt to impose the sphere nature in the design of diffusion model, such that the panoramic format is intrinsically ensured during the learning procedure, named as spherical-nested diffusion (SpND) model. This is achieved by employing spherical noise in the diffusion process to address the structural prior, together with a newly proposed spherical deformable convolution (SDC) module to intrinsically learn the panoramic knowledge. Upon this, the proposed method is effectively integrated into a pre-trained diffusion model, outperforming existing state-of-the-art methods for panoramic image outpainting. In particular, our SpND method reduces the FID values by more than 50\% against the state-of-the-art PanoDiffusion method. Codes are publicly available at \url{https://github.com/chronos123/SpND}.

Probabilistic Methods · Variational Inference

Kian Ming Chai, Edwin V. Bonilla

We introduce a novel one-parameter variational objective that lower bounds the data evidence and enables the estimation of approximate fractional posteriors. We extend this framework to hierarchical construction and Bayes posteriors, offering a versatile tool for probabilistic modelling. We demonstrate two cases where gradients can be obtained analytically and a simulation study on mixture models showing that our fractional posteriors can be used to achieve better calibration compared to posteriors from the conventional variational bound. When applied to variational autoencoders (VAEs), our approach attains higher evidence bounds and enables learning of high-performing approximate Bayes posteriors jointly with fractional posteriors. We show that VAEs trained with fractional posteriors produce decoders that are better aligned for generation from the prior.

Deep Learning · Generative Models and Autoencoders

Yaopei Zeng, Yuanpu Cao, Bochuan Cao, Yurui Chang, Jinghui Chen, Lu Lin

Recent advances in diffusion models have significantly enhanced the quality of image synthesis, yet they have also introduced serious safety concerns, particularly the generation of Not Safe for Work (NSFW) content. Previous research has demonstrated that adversarial prompts can be used to generate NSFW content. However, such adversarial text prompts are often easily detectable by text-based filters, limiting their efficacy. In this paper, we expose a previously overlooked vulnerability: adversarial image attacks targeting Image-to-Image (I2I) diffusion models. We propose AdvI2I, a novel framework that manipulates input images to induce diffusion models to generate NSFW content. By optimizing a generator to craft adversarial images, AdvI2I circumvents existing defense mechanisms, such as Safe Latent Diffusion (SLD), without altering the text prompts. Furthermore, we introduce AdvI2I-Adaptive, an enhanced version that adapts to potential countermeasures and minimizes the resemblance between adversarial images and NSFW concept embeddings, making the attack more resilient against defenses. Through extensive experiments, we demonstrate that both AdvI2I and AdvI2I-Adaptive can effectively bypass current safeguards, highlighting the urgent need for stronger security measures to address the misuse of I2I diffusion models.

Deep Learning

Xiaoyuan Zhang, Peijie Li, Ying Ying YU, Yichi Zhang, Han Zhao, Qingfu Zhang

Distribution matching is a key technique in machine learning, with applications in generative models, domain adaptation, and algorithmic fairness. A related but less explored challenge is generating a distribution that aligns with multiple underlying distributions, often with conflicting objectives, known as a Pareto optimal distribution.In this paper, we develop a general theory based on information geometry to construct the Pareto set and front for the entire exponential family under KL and inverse KL divergences. This formulation allows explicit derivation of the Pareto set and front for multivariate normal distributions, enabling applications like multiobjective variational autoencoders (MOVAEs) to generate interpolated image distributions.Experimental results on real-world images demonstrate that both algorithms can generate high-quality interpolated images across multiple distributions.

Deep Learning · Generative Models and Autoencoders

Chao Li, Jiawei Fan, Anbang Yao

In this paper, we present $Morse$, a simple dual-sampling framework for accelerating diffusion models losslessly. The key insight of Morse is to reformulate the iterative generation (from noise to data) process via taking advantage of fast jump sampling and adaptive residual feedback strategies. Specifically, Morse involves two models called $Dash$ and $Dot$ that interact with each other. The Dash model is just the pre-trained diffusion model of any type, but operates in a jump sampling regime, creating sufficient space for sampling efficiency improvement. The Dot model is significantly faster than the Dash model, which is learnt to generate residual feedback conditioned on the observations at the current jump sampling point on the trajectory of the Dash model, lifting the noise estimate to easily match the next-step estimate of the Dash model without jump sampling. By chaining the outputs of the Dash and Dot models run in a time-interleaved fashion, Morse exhibits the merit of flexibly attaining desired image generation performance while improving overall runtime efficiency. With our proposed weight sharing strategy between the Dash and Dot models, Morse is efficient for training and inference. Our method shows a lossless speedup of 1.78$\times$ to 3.31$\times$ on average over a wide range of sampling step budgets relative to 9 baseline diffusion models on 6 image generation tasks. Furthermore, we show that our method can be also generalized to improve the Latent Consistency Model (LCM-SDXL, which is already accelerated with consistency distillation technique) tailored for few-step text-to-image synthesis. The code and models are available at https://github.com/deep-optimization/Morse.

Deep Learning · Generative Models and Autoencoders

Yuhao Huang, Taos Transue, Shih-Hsin Wang, William Feldman, Hong Zhang, Bao Wang

Conditional flow matching (CFM) stands out as an efficient, simulation-free approach for training flow-based generative models, achieving remarkable performance for data generation. However, CFM is insufficient to ensure accuracy in learning probability paths. In this paper, we introduce a new partial differential equation characterization for the error between the learned and exact probability paths, along with its solution. We show that the total variation between probability paths is bounded above by a combination of the CFM loss and an associated divergence loss. This theoretical insight leads to the design of a new objective function that simultaneously matches the flow and its divergence. Our new approach improves the performance of the flow-based generative model by a noticeable margin without significantly raising the computational cost. We showcase the advantages of this enhanced training approach over CFM on several important benchmark tasks, including generative modeling for dynamical systems, DNA sequences, and videos.

General Machine Learning · Representation Learning

Akash Kumar

The success of deep networks is crucially attributed to their ability to capture latent features within a representation space. In this work, we investigate whether the underlying learned features of a model can be efficiently retrieved through feedback from an agent, such as a large language model (LLM), in the form of relative triplet comparisons. These features may represent various constructs, including dictionaries in LLMs or components of a covariance matrix of Mahalanobis distances. We analyze the feedback complexity associated with learning a feature matrix in sparse settings. Our results establish tight bounds when the agent is permitted to construct activations and demonstrate strong upper bounds in sparse scenarios when the agent's feedback is limited to distributional information. We validate our theoretical findings through experiments on two distinct applications: feature recovery from Recursive Feature Machine-trained models and dictionary extraction from sparse autoencoders trained on Large Language Models.

Deep Learning · Generative Models and Autoencoders

Roman Bachmann, Jesse Allardice, David Mizrahi, Enrico Fini, Oguzhan Fatih Kar, Elmira Amirloo, Alaaeldin Ali, Amir Zamir, Afshin Dehghan

We introduce FlexTok, a tokenizer that projects 2D images into variable-length, ordered 1D token sequences. For example, a 256x256 image can be resampled into anywhere from 1 to 256 discrete tokens, hierarchically and semantically compressing its information. By training a rectified flow model as the decoder and using nested dropout, FlexTok produces plausible reconstructions regardless of the chosen token sequence length. We evaluate our approach in an autoregressive generation setting using a simple GPT-style Transformer. On ImageNet, this approach achieves an FID<2 across 8 to 128 tokens, outperforming TiTok and matching state-of-the-art methods with far fewer tokens. We further extend the model to support to text-conditioned image generation and examine how FlexTok relates to traditional 2D tokenization. A key finding is that FlexTok enables next-token prediction to describe images in a coarse-to-fine "visual vocabulary", and that the number of tokens to generate depends on the complexity of the generation task.

Deep Learning · Generative Models and Autoencoders

Minghao Fu, Guo-Hua Wang, Liangfu Cao, Qing-Guo Chen, Zhao Xu, Weihua Luo, Kaifu Zhang

Diffusion models have emerged as a dominant approach for text-to-image generation. Key components such as the human preference alignment and classifier-free guidance play a crucial role in ensuring generation quality. However, their independent application in current text-to-image models continues to face significant challenges in achieving strong text-image alignment, high generation quality, and consistency with human aesthetic standards. In this work, we for the first time, explore facilitating the collaboration of human performance alignment and test-time sampling to unlock the potential of text-to-image models. Consequently, we introduce CHATS (Combining Human-Aligned optimization and Test-time Sampling), a novel generative framework that separately models the preferred and dispreferred distributions and employs a proxy-prompt-based sampling strategy to utilize the useful information contained in both distributions. We observe that CHATS exhibits exceptional data efficiency, achieving strong performance with only a small, high-quality funetuning dataset. Extensive experiments demonstrate that CHATS surpasses traditional preference alignment methods, setting new state-of-the-art across various standard benchmarks. The code is publicly available at github.com/AIDC-AI/CHATS.

Deep Learning · Generative Models and Autoencoders

Hansheng Chen, Kai Zhang, Hao Tan, Zexiang Xu, Fujun Luan, Leonidas Guibas, Gordon Wetzstein, Sai Bi

Diffusion models approximate the denoising distribution as a Gaussian and predict its mean, whereas flow matching models reparameterize the Gaussian mean as flow velocity. However, they underperform in few-step sampling due to discretization error and tend to produce over-saturated colors under classifier-free guidance (CFG). To address these limitations, we propose a novel Gaussian mixture flow matching (GMFlow) model: instead of predicting the mean, GMFlow predicts dynamic Gaussian mixture (GM) parameters to capture a multi-modal flow velocity distribution, which can be learned with a KL divergence loss. We demonstrate that GMFlow generalizes previous diffusion and flow matching models where a single Gaussian is learned with an $L_2$ denoising loss. For inference, we derive GM-SDE/ODE solvers that leverage analytic denoising distributions and velocity fields for precise few-step sampling. Furthermore, we introduce a novel probabilistic guidance scheme that mitigates the over-saturation issues of CFG and improves image generation quality. Extensive experiments demonstrate that GMFlow consistently outperforms flow matching baselines in generation quality, achieving a Precision of 0.942 with only 6 sampling steps on ImageNet 256$\times$256.

Applications · Computer Vision

Shiming Chen, Dingjie Fu, Salman Khan, Fahad Khan

Remarkable progress in zero-shot learning (ZSL) has been achieved using generative models. However, existing generative ZSL methods merely generate (imagine) the visual features from scratch guided by the strong class semantic vectors annotated by experts, resulting in suboptimal generative performance and limited scene generalization. To address these and advance ZSL, we propose an inductive variational autoencoder for generative zero-shot learning, dubbed GenZSL. Mimicking human-level concept learning, GenZSL operates by inducting new class samples from similar seen classes using weak class semantic vectors derived from target class names (i.e., CLIP text embedding). To ensure the generation of informative samples for training an effective ZSL classifier, our GenZSL incorporates two key strategies. Firstly, it employs class diversity promotion to enhance the diversity of class semantic vectors. Secondly, it utilizes target class-guided information boosting criteria to optimize the model. Extensive experiments conducted on three popular benchmark datasets showcase the superiority and potential of our GenZSL with significant efficacy and efficiency over f-VAEGAN, e.g., 24.7\% performance gains and more than $60\times$ faster training speed on AWA2. Codes are available at \url{https://github.com/shiming-chen/GenZSL}.

Deep Learning · Generative Models and Autoencoders

Masatoshi Uehara, su, Yulai Zhao, Xiner Li, Aviv Regev, Shuiwang Ji, Sergey Levine, Tommaso Biancalani

To fully leverage the capabilities of diffusion models, we are often interested in optimizing downstream reward functions during inference. While numerous algorithms for reward-guided generation have been recently proposed due to their significance, current approaches predominantly focus on single-shot generation, transitioning from fully noised to denoised states. We propose a novel framework for inference-time reward optimization with diffusion models. Our approach employs an iterative refinement process consisting of two steps in each iteration: noising and reward-guided denoising. This sequential refinement allows for the gradual correction of errors introduced during reward optimization. Finally, we provide a theoretical guarantee for our framework. Finally, we demonstrate its superior empirical performance in protein and DNA design.

Applications · Chemistry, Physics, and Earth Sciences

Chaitanya Joshi, Xiang Fu, Yi-Lun Liao, Vahe Gharakhanyan, Benjamin Kurt Miller, Anuroop Sriram, Zachary Ulissi

Diffusion models are the standard toolkit for generative modelling of 3D atomic systems. However, for different types of atomic systems -- such as molecules and materials -- the generative processes are usually highly specific to the target system despite the underlying physics being the same. We introduce the All-atom Diffusion Transformer (ADiT), a unified latent diffusion framework for jointly generating both periodic materials and non-periodic molecular systems using the same model: (1) An autoencoder maps a unified, all-atom representations of molecules and materials to a shared latent embedding space; and (2) A diffusion model is trained to generate new latent embeddings that the autoencoder can decode to sample new molecules or materials. Experiments on MP20, QM9 and GEOM-DRUGS datasets demonstrate that jointly trained ADiT generates realistic and valid molecules as well as materials, obtaining state-of-the-art results on par with molecule and crystal-specific models. ADiT uses standard Transformers with minimal inductive biases for both the autoencoder and diffusion model, resulting in significant speedups during training and inference compared to equivariant diffusion models. Scaling ADiT up to half a billion parameters predictably improves performance, representing a step towards broadly generalizable foundation models for generative chemistry. Open source code: https://github.com/facebookresearch/all-atom-diffusion-transformer

Deep Learning · Generative Models and Autoencoders

Yaoxuan Feng, Wenchao Chen, yuxin li, Bo Chen, Yubiao Wang, Zixuan Zhao, Hongwei Liu, Mingyuan Zhou

Diffusion models have demonstrated outstanding performance in industrial anomaly detection. However, their iterative denoising nature results in slow inference speed, limiting their practicality for real-time industrial deployment. To address this challenge, we propose OmiAD, a one-step masked diffusion model for multi-class anomaly detection, derived from a well-designed multi-step **A**daptive **M**asked **D**iffusion **M**odel (AMDM) and compressed using **A**dversarial **S**core **D**istillation (ASD). OmiAD first introduces AMDM, equipped with an adaptive masking strategy that dynamically adjusts masking patterns based on noise levels and encourages the model to reconstruct anomalies as normal counterparts by leveraging broader context, to reduce the pixel-level shortcut reliance. Then, ASD is developed to compress the multi-step diffusion process into a single-step generator by score distillation and incorporating a shared-weight discriminator effectively reusing parameters while significantly improving both inference efficiency and detection performance. The effectiveness of OmiAD is validated on four diverse datasets, achieving state-of-the-art performance across seven metrics while delivering a remarkable inference speedup.

General Machine Learning · Representation Learning

Haoyang Li, Xin Wang, Zeyang Zhang, Zongyuan Wu, Linxin Xiao, Wenwu Zhu

Self-supervised learning (SSL) on graph-structured data has attracted considerable attention recently. Masked graph autoencoder, as one promising generative graph SSL approach that aims to recover masked parts of the input graph data, has shown great success in various downstream graph tasks. However, existing masked graph autoencoders fail to consider the degree of difficulty of recovering the masked edges that often have different impacts on the model performance, resulting in suboptimal node representations. To tackle this challenge, in this paper, we propose a novel curriculum based self-supervised masked graph autoencoder that is able to capture and leverage the underlying degree of difficulty of data dependencies hidden in edges, and design better mask-reconstruction pretext tasks for learning informative node representations. Specifically, we first design a difficulty measurer to identify the underlying structural degree of difficulty of edges during the masking step. Then, we adopt a self-paced scheduler to determine the order of masking edges, which encourages the graph encoder to learn from easy to difficult parts. Finally, the masked edges are gradually incorporated into the reconstruction pretext task, leading to high-quality node representations. Experiments on several real-world node classification and link prediction datasets demonstrate the superiority of our proposed method over state-of-the-art graph self-supervised learning baselines. This work is the first study of curriculum strategy for masked graph autoencoders, to the best of our knowledge.

General Machine Learning · Sequential, Network, and Time Series Modeling

Mouxiang Chen, Lefei Shen, Zhuo Li, Xiaoyun Wang, Jianling Sun, Chenghao Liu

Foundation models have emerged as a promising approach in time series forecasting (TSF). Existing approaches either repurpose large language models (LLMs) or build large-scale time series datasets to develop TSF foundation models for universal forecasting. However, these methods face challenges due to the severe cross-domain gap or in-domain heterogeneity. This paper explores a new road to building a TSF foundation model from rich, high-quality natural images. Our key insight is that a visual masked autoencoder, pre-trained on the ImageNet dataset, can naturally be a numeric series forecaster. By reformulating TSF as an image reconstruction task, we bridge the gap between image pre-training and TSF downstream tasks. Surprisingly, without further adaptation in the time series domain, the proposed VisionTS could achieve better zero-shot forecast performance than existing TSF foundation models. With fine-tuning for one epoch, VisionTS could further improve the forecasting and achieve state-of-the-art performance in most cases. Extensive experiments reveal intrinsic similarities between images and real-world time series, suggesting that visual models may offer a "free lunch" for TSF and highlight the potential for future cross-modality research. Our code is available in the https://github.com/Keytoyze/VisionTS.

Deep Learning · Large Language Models

Patrick Leask, Neel Nanda, Noura Al Moubayed

Sparse Autoencoders (SAEs) are a popular method for decomposing Large Language Model (LLM) activations into interpretable latents, however they have a substantial training cost and SAEs learned on different models are not directly comparable. Motivated by relative representation similarity measures, we introduce Inference-Time Decomposition of Activation models (ITDAs). ITDAs are constructed by greedily sampling activations into a dictionary based on an error threshold on their matching pursuit reconstruction. ITDAs can be trained in 1% of the time of SAEs, allowing us to cheaply train them on Llama-3.1 70B and 405B. ITDA dictionaries also enable cross-model comparisons, and outperform existing methods like CKA, SVCCA, and a relative representation method on a benchmark of representation similarity. Code available at https://github.com/pleask/itda.

Deep Learning · Generative Models and Autoencoders

Enze Xie, Junsong Chen, Yuyang Zhao, Jincheng YU, Ligeng Zhu, Yujun Lin, Zhekai Zhang, Muyang Li, Junyu Chen, Han Cai 等

This paper presents SANA-1.5, a linear Diffusion Transformer for efficient scaling in text-to-image generation. Building upon SANA-1.0, we introduce three key innovations: (1) Efficient Training Scaling: A depth-growth paradigm that enables scaling from 1.6B to 4.8B parameters with significantly reduced computational resources, combined with a memory-efficient 8-bit optimizer. (2) Model Depth Pruning: A block importance analysis technique for efficient model compression to arbitrary sizes with minimal quality loss. (3) Inference-time Scaling: A repeated sampling strategy that trades computation for model capacity, enabling smaller models to match larger model quality at inference time. Through these strategies, SANA-1.5 achieves a text-image alignment score of 0.72 on GenEval, which can be further improved to 0.80 through inference scaling, establishing a new SoTA on GenEval benchmark. These innovations enable efficient model scaling across different compute budgets while maintaining high quality, making high-quality image generation more accessible.