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Generative models are powerful tools for sampling from a learned distribution $\mathcal{P}(Y \mid X)$, and inverse-design methods invert this map to find an input $x$ that produces a desired point output $y^*$. However, many design goals…
Restricted Boltzmann Machines (RBMs) are general unsupervised learning devices to ascertain generative models of data distributions. RBMs are often trained using the Contrastive Divergence learning algorithm (CD), an approximation to the…
Machine learning approaches now achieve impressive generation capabilities in numerous domains such as image, audio or video. However, most training \& evaluation frameworks revolve around the idea of strictly modelling the original data…
In this paper, we attack the anomaly detection problem by directly modeling the data distribution with deep architectures. We propose deep structured energy based models (DSEBMs), where the energy function is the output of a deterministic…
By formulating data samples' formation as a Markov denoising process, diffusion models achieve state-of-the-art performances in a collection of tasks. Recently, many variants of diffusion models have been proposed to enable controlled…
Deep neural networks (DNNs), despite their impressive ability to generalize over-capacity networks, often rely heavily on malignant bias as shortcuts instead of task-related information for discriminative tasks. To address this problem,…
We introduce a multi-modal diffusion model tailored for the bi-directional conditional generation of video and audio. We propose a joint contrastive training loss to improve the synchronization between visual and auditory occurrences. We…
Sparse-view Computed Tomography (CT) image reconstruction is a promising approach to reduce radiation exposure, but it inevitably leads to image degradation. Although diffusion model-based approaches are computationally expensive and suffer…
To sample from a general target distribution $p_*\propto e^{-f_*}$ beyond the isoperimetric condition, Huang et al. (2023) proposed to perform sampling through reverse diffusion, giving rise to Diffusion-based Monte Carlo (DMC).…
Cross-modality distillation arises as an important topic for data modalities containing limited knowledge such as depth maps and high-quality sketches. Such techniques are of great importance, especially for memory and privacy-restricted…
Adversarial Training (AT) is known as an effective approach to enhance the robustness of deep neural networks. Recently researchers notice that robust models with AT have good generative ability and can synthesize realistic images, while…
The ensemble average of physical properties of molecules is closely related to the distribution of molecular conformations, and sampling such distributions is a fundamental challenge in physics and chemistry. Traditional methods like…
Distilling latent diffusion models (LDMs) into ones that are fast to sample from is attracting growing research interest. However, the majority of existing methods face two critical challenges: (1) They hinge on long training using a huge…
Retrosynthesis -- the process of identifying a set of reactants to synthesize a target molecule -- is of vital importance to material design and drug discovery. Existing machine learning approaches based on language models and graph neural…
This paper proposes the divergence triangle as a framework for joint training of generator model, energy-based model and inference model. The divergence triangle is a compact and symmetric (anti-symmetric) objective function that seamlessly…
Objective: Cone-beam computed tomography (CBCT) provides a low-dose imaging alternative to conventional CT, but suffers from noise, scatter, and artifacts that degrade image quality. Synthetic CT (sCT) aims to translate CBCT to high-quality…
Computational fluid dynamics (CFD) is a powerful tool for modeling turbulent flow and is commonly used for urban microclimate simulations. However, traditional CFD methods are computationally intensive, requiring substantial hardware…
We address the challenge of training diffusion models to sample from unnormalized energy distributions in the absence of data, the so-called diffusion samplers. Although these approaches have shown promise, they struggle to scale in more…
Discrete diffusion models (DDMs) are a powerful class of generative models for categorical data, but they typically require many function evaluations for a single sample, making inference expensive. Existing acceleration methods either rely…
Class distribution mismatch (CDM) refers to the discrepancy between class distributions in training data and target tasks. Previous methods address this by designing classifiers to categorize classes known during training, while grouping…