Goto

Collaborating Authors

 diffusion


Proper Hölder-Kullback Dirichlet Diffusion: A Framework for High Dimensional Generative Modeling

Neural Information Processing Systems

Diffusion-based generative models have long depended on Gaussian priors, with little exploration of alternative distributions. We introduce a Proper Hölder-Kullback Dirichlet framework that uses time-varying multiplicative transformations to define both forward and reverse diffusion processes. Moving beyond conventional reweighted evidence lower bounds (ELBO) or Kullback-Leibler upper bounds (KLUB), we propose two novel divergence measures: the Proper Hölder Divergence (PHD) and the Proper Hölder-Kullback (PHK) divergence, the latter designed to restore symmetry missing in existing formulations. When optimizing our Dirichlet diffusion model with PHK, we achieve a Fréchet Inception Distance (FID) of 2.78 on unconditional CIFAR-10. Comprehensive experiments on natural-image datasets validate the generative strengths of model and confirm PHK's effectiveness in model training. These contributions expand the diffusion-model family with principled non-Gaussian processes and effective optimization tools, offering new avenues for versatile, high-fidelity generative modeling.


Vicinity-Guided Discriminative Latent Diffusion for Privacy-Preserving Domain Adaptation

Neural Information Processing Systems

Recent work on latent diffusion models (LDMs) has focused almost exclusively on generative tasks, leaving their potential for discriminative transfer largely unexplored. We introduce Discriminative Vicinity Diffusion (DVD), a novel LDM-based framework for a more practical variant of source-free domain adaptation (SFDA): the source provider may share not only a pre-trained classifier but also an auxiliary latent diffusion module, trained once on the source data and never exposing raw source samples. DVD encodes each source feature's label information into its latent vicinity by fitting a Gaussian prior over its k-nearest neighbors and training the diffusion network to "drift" noisy samples back to label-consistent representations. During adaptation, we sample from each target feature's latent vicinity, apply the frozen diffusion module to generate source-like cues, and use a simple InfoNCE loss to align the target encoder to these cues, explicitly transferring decision boundaries without source access. Across standard SFDA benchmarks, DVD outperforms state-of-the-art methods. We further show that the same latent diffusion module enhances the source classifier's accuracy on in-domain data and boosts performance in supervised classification and domain generalization experiments. DVD thus reinterprets LDMs as practical, privacy-preserving bridges for explicit knowledge transfer, addressing a core challenge in source-free domain adaptation that prior methods have yet to solve.


Wavy Transformer

Neural Information Processing Systems

Transformers have achieved remarkable success across natural language processing (NLP) and computer vision (CV). However, deep transformer models often suffer from an over-smoothing issue, in which token representations converge to similar values as they pass through successive transformer blocks. In this paper, we establish an equivalence between the hidden-state dynamics induced by stacked attention layers and graph neural diffusion on a complete graph. From this perspective, over-smoothing can be interpreted as a consequence of the dissipative nature of the underlying diffusion dynamics. Motivated by this physical interpretation, we propose Wavy Transformer, which consists of a novel attention layer based on second-order wavy dynamics. We also introduce a feedforward network and a normalization layer designed to preserve the physical state-velocity relationship under the chain rule, thereby extending the transformer architecture. We further validate our proposed techniques on various transformer models for NLP, CV, and sparse-graph tasks. The results consistently demonstrate that Wavy Transformer improves performance with minimal additional parameters and no extra hyperparameter tuning.


Generative Diffusion for perceptrons

Neural Information Processing Systems

We consider random instances of non-convex perceptron problems in the highdimensional limit of a large number of examples M and weights N, with finite load α = M/N. We develop a formalism based on replica theory to predict the fundamental limits of efficiently sampling the solution space using generative diffusion algorithms, conjectured to be saturated when the score function is provided by Approximate Message Passing. For the spherical perceptron with negative margin κ, we find that the uniform distribution over solutions can be efficiently sampled in most of the Replica Symmetric region of the α-κplane. In contrast, for binary weights, sampling from the uniform distribution remains intractable. A theoretical analysis of this obstruction leads us to identify a potential U(s)= log(s), under which the corresponding tilted distribution becomes efficiently samplable via diffusion. Moreover, we show numerically that an annealing procedure over the shape of this potential yields a fast and robust Markov Chain Monte Carlo algorithm for sampling the solution space of the binary perceptron.


Energy-based generatormatching: A neural sampler for general state space

Neural Information Processing Systems

We propose Energy-based generator matching (EGM), a modality-agnostic approach to train generative models from energy functions in the absence of data. Extending the recently proposed generator matching, EGM enables training of arbitrary continuous-time Markov processes, e.g., diffusion, flow, and jump, and can generate data from continuous, discrete, and a mixture of two modalities. To this end, we propose estimating the generator matching loss using self-normalized importance sampling with an additional bootstrapping trick to reduce variance in the importance weight.


Preconditioned Langevin Dynamics with Score-Based Generative Models for Infinite-Dimensional Linear Bayesian Inverse Problems

Neural Information Processing Systems

Designing algorithms for solving high-dimensional Bayesian inverse problems directly in infinite-dimensional function spaces--where such problems are naturally formulated--is crucial to ensure stability and convergence as the discretization of the underlying problem is refined. In this paper, we contribute to this line of work by analyzing a widely used sampler for linear inverse problems: Langevin dynamics driven by score-based generative models (SGMs) acting as priors, formulated directly in function space. Building on the theoretical framework for SGMs in Hilbert spaces, we give a rigorous definition of this sampler in the infinite-dimensional setting and derive, for the first time, error estimates that explicitly depend on the approximation error of the score. As a consequence, we obtain sufficient conditions for global convergence in Kullback-Leibler divergence on the underlying function space. Preventing numerical instabilities requires preconditioning of the Langevin algorithm and we prove the existence and the form of an optimal preconditioner. The preconditioner depends on both the score error and the forward operator and guarantees a uniform convergence rate across all posterior modes. Our analysis applies to both Gaussian and a general class of non-Gaussian priors. Finally, we present examples that illustrate and validate our theoretical findings.


Uncover Governing Law of Pathology Propagation Mechanism Through AMean-Field Game

Neural Information Processing Systems

Alzheimer's disease (AD) is marked by cognitive decline along with the widespread of tau aggregates across the brain cortex. Due to the challenges of imaging pathology spreading flows in vivo, however, quantitative analysis on the cortical pathways of tau propagation and its interaction with the cascade of amyloid-beta (Aβ) plaques lags behind the experimental insights of underlying pathophysiological mechanisms. To address this challenge, we present a physics-informed neural network, empowered by mean-field theory, to uncover the biologically meaningful spreading pathways of tau aggregates between two longitudinal snapshots. Following the notion of'prion-like' mechanism in AD, we first formulate the dynamics of tau propagation as a mean-field game (MFG), where the spread of tau aggregate at each location (aka.


Generalizing while preserving monotonicity in comparison-based preference learning models

Neural Information Processing Systems

If you tell a learning model that you prefer an alternative a over another alternative b, then you probably expect the model to be monotone, that is, the valuation of a increases, and that of bdecreases. Yet, perhaps surprisingly, many widely deployed comparison-based preference learning models, including large language models, fail to have this guarantee. Until now, the only comparison-based preference learning algorithms that were proved to be monotone are the Generalized BradleyTerry models [10]. Yet, these models are unable to generalize to uncompared data. In this paper, we advance the understanding of the set of models with generalization ability that are monotone. Namely, we propose a new class of Linear Generalized Bradley-Terry models with Diffusion Priors, and identify sufficient conditions on alternatives' embeddings that guarantee monotonicity. Our experiments show that this monotonicity is far from being a general guarantee, and that our new class of generalizing models improves accuracy, especially when the dataset is limited.


Space Group Equivariant Crystal Diffusion

Neural Information Processing Systems

Accelerating inverse design of crystalline materials with generative models has significant implications for a range of technologies. Unlike other atomic systems, 3D crystals are invariant to discrete groups of isometries called the space groups. Crucially, these space group symmetries are known to heavily influence materials properties. We propose SGEquiDiff, a crystal generative model which naturally handles space group constraints with space group invariant likelihoods. SGEquiDiff consists of an SE(3)-invariant, telescoping discrete sampler of crystal lattices; permutation-invariant, transformer-based autoregressive sampling of Wyckoff positions, elements, and numbers of symmetrically unique atoms; and space group equivariant diffusion of atomic coordinates. We show that space group equivariant vector fields automatically live in the tangent spaces of the Wyckoff positions. SGEquiDiff achieves state-of-the-art performance on standard benchmark datasets as assessed by quantitative proxy metrics and quantum mechanical calculations.


Autoregressive Motion Generation with Gaussian Mixture-Guided Latent Sampling

Neural Information Processing Systems

Existing efforts in motion synthesis typically utilize either generative transformers with discrete representations or diffusion models with continuous representations. However, the discretization process in generative transformers can introduce motion errors, while the sampling process in diffusion models tends to be slow. In this paper, we propose a novel text-to-motion synthesis method GMMotion that combines a continuous motion representation with an autoregressive model, using the Gaussian mixture model (GMM) to represent the conditional probability distribution. Unlike prior autoregressive approaches relying on residual vector quantization, our model employs continuous motion representations derived from the VAE's latent space. This choice streamlines both the training and the inference processes while mitigating discretization errors. Specifically, we utilize a causal transformer to learn the distributions of continuous motion representations, which are modeled with a learnable Gaussian mixture model. Extensive experiments demonstrate that our model surpasses existing state-of-the-art models in the motion synthesis task.