相关论文: FlashMol: High-Quality Molecule Generation in as F…

Diffusion models (DMs) have been adopted across diverse fields with its remarkable abilities in capturing intricate data distributions. In this paper, we propose a Fast Diffusion Model (FDM) to significantly speed up DMs from a stochastic…

Deep generative models are rapidly advancing structure-based drug design, offering substantial promise for generating small molecule ligands that bind to specific protein targets. However, most current approaches assume a rigid protein…

Diffusion Language Models (DLMs) offer a promising parallel generation paradigm but suffer from slow inference due to numerous refinement steps and the inability to use standard KV caching. We introduce CDLM (Consistency Diffusion Language…

Generative models for molecules based on sequential line notation (e.g. SMILES) or graph representation have attracted an increasing interest in the field of structure-based drug design, but they struggle to capture important 3D spatial…

This paper introduces DLM-One, a score-distillation-based framework for one-step sequence generation with continuous diffusion language models (DLMs). DLM-One eliminates the need for iterative refinement by aligning the scores of a student…

Autoregressive language models (ARMs) deliver strong likelihoods, but are inherently serial: they generate one token per forward pass, which limits throughput and inflates latency for long sequences. Diffusion Language Models (DLMs)…

3D shape generation has greatly flourished through the development of so-called "native" 3D diffusion, particularly through the Vecset Diffusion Model (VDM). While recent advancements have shown promising results in generating…

While diffusion distillation has enabled one-step generation through methods like Variational Score Distillation, adapting distilled models to emerging new controls -- such as novel structural constraints or latest user preferences --…

Diffusion models have significantly advanced the state of the art in image, audio, and video generation tasks. However, their applications in practical scenarios are hindered by slow inference speed. Drawing inspiration from the…

Molecular representation learning plays a crucial role in advancing applications such as drug discovery and material design. Existing work leverages 2D and 3D modalities of molecular information for pre-training, aiming to capture…

Unconditional molecular generation is a stepping stone for conditional molecular generation, which is important in \emph{de novo} drug design. Recent unconditional 3D molecular generation methods report saturated benchmarks, suggesting it…

Denoising Diffusion Models (DDMs) have become a popular tool for generating high-quality samples from complex data distributions. These models are able to capture sophisticated patterns and structures in the data, and can generate samples…

Distribution Matching Distillation (DMD) is a promising score distillation technique that compresses pre-trained teacher diffusion models into efficient one-step or multi-step student generators. Nevertheless, its reliance on the reverse…

We present FlowLM, a flow matching language model transformed from pre-trained diffusion language models via efficient fine-tuning. By re-aligning the curved sampling trajectories of diffusion models into straight-line flows, FlowLM enables…

Recently, open-source video diffusion models (VDMs), such as WanX, Magic141 and HunyuanVideo, have been scaled to over 10 billion parameters. These large-scale VDMs have demonstrated significant improvements over smaller-scale VDMs across…

Methods for jointly generating molecular graphs along with their 3D conformations have gained prominence recently due to their potential impact on structure-based drug design. Current approaches, however, often suffer from very slow…

Understanding galaxy morphology evolution across cosmic time requires models that can generate realistic galaxy populations conditioned on redshift. In this work, we study efficient redshift-conditioned generative modeling for astrophysical…

Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph…

Denoising diffusion probabilistic models (DDPMs) have achieved unprecedented success in computer vision. However, they remain underutilized in medical imaging, a field crucial for disease diagnosis and treatment planning. This is primarily…

Denoising Diffusion Probabilistic Models (DDPMs) have emerged as a powerful family of generative models that can yield high-fidelity samples and competitive log-likelihoods across a range of domains, including image and speech synthesis.…