Related papers: Chemistry-Inspired Diffusion with Non-Differentiab…

Molecule generation, especially generating 3D molecular geometries from scratch (i.e., 3D \textit{de novo} generation), has become a fundamental task in drug designs. Existing diffusion-based 3D molecule generation methods could suffer from…

Diffusion Probabilistic Models (DPMs) are powerful generative models that have achieved unparalleled success in a number of generative tasks. In this work, we aim to build inductive biases into the training and sampling of diffusion models…

Despite recent advances, goal-directed generation of structured discrete data remains challenging. For problems such as program synthesis (generating source code) and materials design (generating molecules), finding examples which satisfy…

Diffusion models without guidance generate very unrealistic samples. Guidance is used ubiquitously, and previous research has attributed its effect to low-temperature sampling that improves quality by trading off diversity. However, this…

In recent years, image generation has shown a great leap in performance, where diffusion models play a central role. Although generating high-quality images, such models are mainly conditioned on textual descriptions. This begs the…

Diffusion models have shown remarkable performance on many generative tasks. Despite recent success, most diffusion models are restricted in that they only allow linear transformation of the data distribution. In contrast, broader family of…

We propose LOGDIFF (Logical Guidance for the Exact Composition of Diffusion Models), a guidance framework for diffusion models that enables principled constrained generation with complex logical expressions at inference time. We study when…

Unsupervised Contrastive learning has gained prominence in fields such as vision, and biology, leveraging predefined positive/negative samples for representation learning. Data augmentation, categorized into hand-designed and model-based…

Diffusion models benefit from instillation of task-specific information into the score function to steer the sample generation towards desired properties. Such information is coined as guidance. For example, in text-to-image synthesis, text…

Diffusion models (DMs) have emerged as the new state-of-the-art family of deep generative models. To gain deeper insights into the limitations of diffusion models in recommender systems, we investigate the fundamental structural disparities…

Diffusion models are generative models that have shown significant advantages compared to other generative models in terms of higher generation quality and more stable training. However, the computational need for training diffusion models…

While text-to-video diffusion models have made significant strides, many still face challenges in generating videos with temporal consistency. Within diffusion frameworks, guidance techniques have proven effective in enhancing output…

Continuous Conditional Diffusion Model (CCDM) is a diffusion-based framework designed to generate high-quality images conditioned on continuous regression labels. Although CCDM has demonstrated clear advantages over prior approaches across…

Diffusion models (DMs) are a type of generative model that has a huge impact on image synthesis and beyond. They achieve state-of-the-art generation results in various generative tasks. A great diversity of conditioning inputs, such as text…

Building on recent advances in scientific machine learning and generative modeling for computational fluid dynamics, we propose a conditional score-based diffusion model designed for multi-scenarios fluid flow prediction. Our model…

Diffusion models have achieved remarkable success in image and video generation. In this work, we demonstrate that diffusion models can also \textit{generate high-performing neural network parameters}. Our approach is simple, utilizing an…

We propose dgMARK, a decoding-guided watermarking method for discrete diffusion language models (dLLMs). Unlike autoregressive models, dLLMs can generate tokens in arbitrary order. While an ideal conditional predictor would be invariant to…

Offline decision-making via diffusion models often produces trajectories that are misaligned with system dynamics, limiting their reliability for control. We propose Model Predictive Diffuser (MPDiffuser), a compositional diffusion…

Molecular discovery is increasingly framed as an inverse design problem: identifying molecular structures that satisfy desired property profiles under feasibility constraints. While recent generative models provide continuous latent…

Recent advancements in generative recommendation systems, particularly in the realm of sequential recommendation tasks, have shown promise in enhancing generalization to new items. Among these approaches, diffusion-based generative…