Related papers: FlashMol: High-Quality Molecule Generation in as F…
Although diffusion model has shown great potential for generating higher quality images than GANs, slow sampling speed hinders its wide application in practice. Progressive distillation is thus proposed for fast sampling by progressively…
In the past decade, Artificial Intelligence driven drug design and discovery has been a hot research topic, where an important branch is molecule generation by generative models, from GAN-based models and VAE-based models to the latest…
Autoregressive large language models achieve strong results on many benchmarks, but decoding remains fundamentally latency-limited by sequential dependence on previously generated tokens. Diffusion language models (DLMs) promise parallel…
Reconstructing high-fidelity flow fields from low-fidelity observations is a central problem in scientific machine learning, yet recent diffusion and flow-matching models typically rely on iterative sampling, making them costly for…
We introduce $\texttt{PairFlow}$, a lightweight preprocessing step for training Discrete Flow Models (DFMs) to achieve few-step sampling without requiring a pretrained teacher. DFMs have recently emerged as a new class of generative models…
Diffusion distillation methods aim to compress the diffusion models into efficient one-step generators while trying to preserve quality. Among them, Distribution Matching Distillation (DMD) offers a suitable framework for training…
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…
Flow-matching models have enabled high-quality text-to-speech synthesis, but their iterative sampling process during inference incurs substantial computational cost. Although distillation is widely used to reduce the number of inference…
The integration of deep learning, particularly AI-Generated Content, with high-quality data derived from ab initio calculations has emerged as a promising avenue for transforming the landscape of scientific research. However, the challenge…
Geometric representation-conditioned molecule generation provides an effective paradigm that decouples molecule representation modeling from structure generation. By decoupling molecule generation into two stages-first generating a…
Molecular property prediction, crucial for early drug candidate screening and optimization, has seen advancements with deep learning-based methods. While deep learning-based methods have advanced considerably, they often fall short in fully…
We present a distilled multi-time-step (DMTS) strategy to accelerate molecular dynamics simulations using foundation neural network models. DMTS uses a dual-level neural network where the target accurate potential is coupled to a simpler…
Latent Consistency Models (LCMs) have achieved impressive performance in accelerating text-to-image generative tasks, producing high-quality images with minimal inference steps. LCMs are distilled from pre-trained latent diffusion models…
This paper introduces a novel framework for DNA sequence generation, comprising two key components: DiscDiff, a Latent Diffusion Model (LDM) tailored for generating discrete DNA sequences, and Absorb-Escape, a post-training algorithm…
Generative models have achieved impressive results in many domains including image and text generation. In the natural sciences, generative models have led to rapid progress in automated drug discovery. Many of the current methods focus on…
Diffusion large language models (dLLMs) have recently drawn considerable attention within the research community as a promising alternative to autoregressive generation, offering parallel token prediction and lower inference latency. Yet,…
Deep learning models have emerged as a powerful tool for various medical applications. However, their success depends on large, high-quality datasets that are challenging to obtain due to privacy concerns and costly annotation. Generative…
The class-conditional image generation based on diffusion models is renowned for generating high-quality and diverse images. However, most prior efforts focus on generating images for general categories, e.g., 1000 classes in ImageNet-1k. A…
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…
Recent advances have substantially improved real-time interactive video generation in the autoregressive regime. However, most existing few-step autoregressive video generation methods, often distilled from a corresponding many-step…