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We present an end-to-end differentiable molecular simulation framework (DIMOS) for molecular dynamics and Monte Carlo simulations. DIMOS easily integrates machine-learning-based interatomic potentials and implements classical force fields…

Time Series foundation models (TSFMs) deliver strong forecasting performance through large-scale pretraining, but their large parameter sizes make deployment costly. While knowledge distillation offers a natural and effective approach for…

Machine Learning · Computer Science 2026-01-21 Yuqi Li , Kuiye Ding , Chuanguang Yang , Szu-Yu Chen , Yingli Tian

Medical foundation models pre-trained on large-scale datasets have demonstrated powerful versatile capabilities for various tasks. However, due to the gap between pre-training tasks (or modalities) and downstream tasks (or modalities), the…

Computer Vision and Pattern Recognition · Computer Science 2024-07-10 Yuhang Zhou , Siyuan Du , Haolin Li , Jiangchao Yao , Ya Zhang , Yanfeng Wang

Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations have been developed to simulate molecular systems, where an explicit description of changes in the electronic structure is necessary. However, QM/MM MD…

Chemical Physics · Physics 2021-04-15 Lennard Böselt , Moritz Thürlemann , Sereina Riniker

We introduce a scheme for molecular simulations, the Deep Potential Molecular Dynamics (DeePMD) method, based on a many-body potential and interatomic forces generated by a carefully crafted deep neural network trained with ab initio data.…

Computational Physics · Physics 2018-04-11 Linfeng Zhang , Jiequn Han , Han Wang , Roberto Car , Weinan E

Step distillation has become a leading technique for accelerating diffusion models, among which Distribution Matching Distillation (DMD) and Consistency Distillation are two representative paradigms. While consistency methods enforce…

Computer Vision and Pattern Recognition · Computer Science 2026-05-08 Tao Liu , Hao Yan , Mengting Chen , Taihang Hu , Zhengrong Yue , Zihao Pan , Jinsong Lan , Xiaoyong Zhu , Ming-Ming Cheng , Bo Zheng , Yaxing Wang

Generative models, particularly diffusion models, have made significant success in data synthesis across various modalities, including images, videos, and 3D assets. However, current diffusion models are computationally intensive, often…

Computer Vision and Pattern Recognition · Computer Science 2024-12-10 Yuanzhi Zhu , Hanshu Yan , Huan Yang , Kai Zhang , Junnan Li

Diffusion models have seen rapid adoption in robotic imitation learning, enabling autonomous execution of complex dexterous tasks. However, action synthesis is often slow, requiring many steps of iterative denoising, limiting the extent to…

Robotics · Computer Science 2024-10-14 Sigmund H. Høeg , Yilun Du , Olav Egeland

Multimodal dataset distillation aims to construct compact synthetic datasets that enable efficient compression and knowledge transfer from large-scale image-text data. However, existing approaches often fail to capture the complex,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-27 Shengbin Guo , Hang Zhao , Senqiao Yang , Chenyang Jiang , Yuhang Cheng , Xiangru Peng , Rui Shao , Zhuotao Tian

The fashion e-commerce industry has witnessed significant growth in recent years, prompting exploring image-based virtual try-on techniques to incorporate Augmented Reality (AR) experiences into online shopping platforms. However, existing…

Computer Vision and Pattern Recognition · Computer Science 2023-08-29 Khoi-Nguyen Nguyen-Ngoc , Thanh-Tung Phan-Nguyen , Khanh-Duy Le , Tam V. Nguyen , Minh-Triet Tran , Trung-Nghia Le

Denoising diffusion probabilistic models (DDPMs) have recently achieved leading performances in many generative tasks. However, the inherited iterative sampling process costs hinder their applications to text-to-speech deployment. Through…

Audio and Speech Processing · Electrical Eng. & Systems 2022-07-14 Rongjie Huang , Zhou Zhao , Huadai Liu , Jinglin Liu , Chenye Cui , Yi Ren

We propose a new molecular simulation framework that combines the transferability, robustness and chemical flexibility of an ab initio method with the accuracy and efficiency of a machine learned force field. The key to achieve this mix is…

Computational Physics · Physics 2020-01-08 Sebastian Dick , Marivi Fernandez-Serra

Recent advances in fast sampling methods for diffusion models have demonstrated significant potential to accelerate generation on image modalities. We apply these methods to 3-dimensional molecular conformations by building on the recently…

Quantitative Methods · Quantitative Biology 2024-04-23 Romain Lacombe , Neal Vaidya

Neural Text-to-Speech (TTS) systems find broad applications in voice assistants, e-learning, and audiobook creation. The pursuit of modern models, like Diffusion Models (DMs), holds promise for achieving high-fidelity, real-time speech…

Sound · Computer Science 2024-04-02 Xiang Li , Fan Bu , Ambuj Mehrish , Yingting Li , Jiale Han , Bo Cheng , Soujanya Poria

Deep Neural Networks (DNNs) have significantly advanced the field of computer vision. To improve DNN training process, knowledge distillation methods demonstrate their effectiveness in accelerating network training by introducing a fixed…

Computer Vision and Pattern Recognition · Computer Science 2025-07-01 Daqian Shi , Xiaolei Diao , Xu Chen , Cédric M. John

Neural networks provide state-of-the-art results for most machine learning tasks. Unfortunately, neural networks are vulnerable to adversarial examples: given an input $x$ and any target classification $t$, it is possible to find a new…

Cryptography and Security · Computer Science 2017-03-23 Nicholas Carlini , David Wagner

Dataset distillation enables efficient training by distilling the information of large-scale datasets into significantly smaller synthetic datasets. Diffusion based paradigms have emerged in recent years, offering novel perspectives for…

Computer Vision and Pattern Recognition · Computer Science 2026-05-06 Qichao Wang , Yunhong Lu , Hengyuan Cao , Junyi Zhang , Min Zhang

Diffusion distillation, exemplified by Distribution Matching Distillation (DMD), has shown great promise in few-step generation but often sacrifices quality for sampling speed. While integrating Reinforcement Learning (RL) into distillation…

Machine Learning · Computer Science 2026-04-22 Linwei Dong , Ruoyu Guo , Ge Bai , Zehuan Yuan , Yawei Luo , Changqing Zou

We propose a scalable tensorization framework for neural network compression based on slice-wise feature distillation. Unlike conventional tensor decomposition methods that rely on costly global finetuning, our approach decomposes the…

Machine Learning · Computer Science 2026-05-20 Safa Hamreras , Sukhbinder Singh , Román Orús

Diffusion models have achieved remarkable success in generating high-fidelity content but suffer from slow, iterative sampling, resulting in high latency that limits their use in interactive applications. We introduce DRiffusion, a parallel…

Machine Learning · Computer Science 2026-03-30 Runsheng Bai , Chengyu Zhang , Yangdong Deng
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