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Existing customization methods require access to multiple reference examples to align pre-trained diffusion probabilistic models (DPMs) with user-provided concepts. This paper aims to address the challenge of DPM customization when the only…

Denoising Diffusion Probabilistic Models (DDPMs) are a very popular class of deep generative model that have been successfully applied to a diverse range of problems including image and video generation, protein and material synthesis,…

In this paper, we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually…

Deep generative models have demonstrated effectiveness in learning compact and expressive design representations that significantly improve geometric design optimization. However, these models do not consider the uncertainty introduced by…

This work introduces InJecteD, a framework for interpreting Denoising Diffusion Probabilistic Models (DDPMs) by analyzing sample trajectories during the denoising process of 2D point cloud generation. We apply this framework to three…

The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…

Recent advancements in diffusion models (DMs) have been propelled by alignment methods that post-train models to better conform to human preferences. However, these approaches typically require computation-intensive training of a base model…

Denoising diffusion probabilistic models (DDPMs) have pioneered new state-of-the-art results in disciplines such as computer vision and computational biology for diverse tasks ranging from text-guided image generation to structure-guided…

The feasibility of using reinforcement learning for airfoil shape optimization is explored. Deep Q-Network (DQN) is used over Markov's decision process to find the optimal shape by learning the best changes to the initial shape for…

Diffusion models generate samples through an iterative denoising process, guided by a neural network. While training the denoiser on real-world data is computationally demanding, the sampling procedure itself is more flexible. This…

Protein inverse folding, the design of an amino acid sequence based on a target protein structure, is a fundamental problem of computational protein engineering. Existing methods either generate sequences without leveraging external…

Adversarial purification refers to a class of defense methods that remove adversarial perturbations using a generative model. These methods do not make assumptions on the form of attack and the classification model, and thus can defend…

Inverse design, the process of matching a device or process parameters to exhibit a desired performance, is applied in many disciplines ranging from material design over chemical processes and to engineering. Machine learning has emerged as…

As a dominant force in text-to-image generation tasks, Diffusion Probabilistic Models (DPMs) face a critical challenge in controllability, struggling to adhere strictly to complex, multi-faceted instructions. In this work, we aim to address…

Adversarial attack methods for 3D point cloud classification reveal the vulnerabilities of point cloud recognition models. This vulnerability could lead to safety risks in critical applications that use deep learning models, such as…

Recent advances in denoising diffusion models have enabled rapid generation of optimized structures for topology optimization. However, these models often rely on surrogate predictors to enforce physical constraints, which may fail to…

Antibodies, crucial for immune defense, primarily rely on complementarity-determining regions (CDRs) to bind and neutralize antigens, such as viruses. The design of these CDRs determines the antibody's affinity and specificity towards its…

Accurate prediction of physical fields is critical in various engineering applications, including thermal management in electronic systems, airfoil shape optimization in aerospace, and flow field control in hypersonic vehicles. This study…

Electrostatic generative models such as PFGM++ have recently emerged as a powerful framework, achieving state-of-the-art performance in image synthesis. PFGM++ operates in an extended data space with auxiliary dimensionality $D$, recovering…

Diffusion probabilistic models (DPMs) have become the state-of-the-art in high-quality image generation. However, DPMs have an arbitrary noisy latent space with no interpretable or controllable semantics. Although there has been significant…