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Deep generative models provide a promising approach to de novo 3D peptide design. Most of them jointly model the distributions of peptide's position, orientation, and conformation, attempting to simultaneously converge to the target pocket.…

定量方法 · 定量生物学 2025-11-04 Dengdeng Huang , Shikui Tu

Multiple Instance Learning (MIL) is widely used in medical imaging classification to reduce the labeling effort. While only bag labels are available for training, one typically seeks predictions at both bag and instance levels…

计算机视觉与模式识别 · 计算机科学 2024-11-19 Francisco M. Castro-Macías , Pablo Morales-Álvarez , Yunan Wu , Rafael Molina , Aggelos K. Katsaggelos

Diffusion models have recently emerged as expressive policy representations for online reinforcement learning (RL). However, their iterative generative processes introduce substantial training and inference overhead. To overcome this…

机器学习 · 计算机科学 2026-04-17 Xiaoyi Dong , Xi Sheryl Zhang , Jian Cheng

We consider the topic of data imputation, a foundational task in machine learning that addresses issues with missing data. To that end, we propose MCFlow, a deep framework for imputation that leverages normalizing flow generative models and…

机器学习 · 计算机科学 2020-03-31 Trevor W. Richardson , Wencheng Wu , Lei Lin , Beilei Xu , Edgar A. Bernal

Flow Matching (FM) models achieve remarkable results in generative tasks. Building upon diffusion models, FM's simulation-free training paradigm enables simplicity and efficiency but introduces a train-inference gap: model outputs cannot be…

机器学习 · 计算机科学 2026-01-30 Zhaoyi Li , Jingtao Ding , Yong Li , Shihua Li

State-of-the-art text-to-image models produce high-quality images, but inference remains expensive as generation requires several sequential ODE or denoising steps. Native one-step models aim to reduce this cost by mapping noise to an image…

Demonstration selection is a practical bottleneck in in-context learning (ICL): under a tight prompt budget, accuracy can change substantially depending on which few-shot examples are included, yet selection must remain cheap enough to run…

机器学习 · 计算机科学 2026-02-13 Xubin Wang , Weijia Jia

Optical flow is a classical task that is important to the vision community. Classical optical flow estimation uses two frames as input, whilst some recent methods consider multiple frames to explicitly model long-range information. The…

计算机视觉与模式识别 · 计算机科学 2024-04-09 Qiaole Dong , Yanwei Fu

We use machine learning (ML) to infer stress and plastic flow rules using data from repre- sentative polycrystalline simulations. In particular, we use so-called deep (multilayer) neural networks (NN) to represent the two response…

计算物理 · 物理学 2018-09-05 Reese E. Jones , Jeremy A. Templeton , Clay M. Sanders , Jakob T. Ostien

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

机器学习 · 计算机科学 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler

Recently, pathological diagnosis has achieved superior performance by combining deep learning models with the multiple instance learning (MIL) framework using whole slide images (WSIs). However, the giga-pixeled nature of WSIs poses a great…

计算机视觉与模式识别 · 计算机科学 2024-10-31 Zijie Fang , Yifeng Wang , Ye Zhang , Zhi Wang , Jian Zhang , Xiangyang Ji , Yongbing Zhang

Generating long, high-quality videos remains a challenge due to the complex interplay of spatial and temporal dynamics and hardware limitations. In this work, we introduce MaskFlow, a unified video generation framework that combines…

计算机视觉与模式识别 · 计算机科学 2025-03-13 Michael Fuest , Vincent Tao Hu , Björn Ommer

Flow-based generative models have greatly improved text-to-speech (TTS) synthesis quality, but inference speed remains limited by the iterative sampling process and multiple function evaluations (NFE). The recent MeanFlow model accelerates…

声音 · 计算机科学 2025-10-10 Wei Wang , Rong Cao , Yi Guo , Zhengyang Chen , Kuan Chen , Yuanyuan Huo

Flow-based image generative models exhibit stable training and produce high quality samples when using multi-step sampling procedures. One-step generative models can produce high quality image samples but can be difficult to optimize as…

机器学习 · 计算机科学 2026-04-13 Chia-Hong Hsu , Frank Wood

Many real-world applications of flow-based generative models desire a diverse set of samples that cover multiple modes of the target distribution. However, the predominant approach for obtaining diverse sets is not sample-efficient, as it…

机器学习 · 计算机科学 2025-04-11 Mashrur M. Morshed , Vishnu Boddeti

While generative modeling has achieved remarkable success on tasks like natural language-conditioned image generation, enabling model adaptation from example data points remains a relatively underexplored and challenging problem. To this…

机器学习 · 计算机科学 2026-05-08 Tyler Ingebrand , Ruihan Zhao , Kushagra Gupta , David Fridovich-Keil , Sandeep P. Chinchali , Ufuk Topcu

Classifier-free guidance is a key component for enhancing the performance of conditional generative models across diverse tasks. While it has previously demonstrated remarkable improvements for the sample quality, it has only been…

机器学习 · 计算机科学 2023-12-11 Qinqing Zheng , Matt Le , Neta Shaul , Yaron Lipman , Aditya Grover , Ricky T. Q. Chen

Many objects in the real world are difficult to describe by a single numerical vector of a fixed length, whereas describing them by a set of vectors is more natural. Therefore, Multiple instance learning (MIL) techniques have been…

机器学习 · 计算机科学 2017-03-08 Tomas Pevny , Petr Somol

Event stream data often exhibit hierarchical structure in which multiple events co-occur, resulting in a sequence of multisets (i.e., bags of events). In electronic health records (EHRs), for example, medical events are grouped into a…

机器学习 · 计算机科学 2026-05-15 Minghui Sun , Haoyu Gong , Xingyu You , Jillian Hurst , Benjamin Goldstein , Matthew Engelhard

Molecular dynamics (MD) is a crucial technique for simulating biological systems, enabling the exploration of their dynamic nature and fostering an understanding of their functions and properties. To address exploration inefficiency,…

定量方法 · 定量生物学 2024-05-03 Shaoning Li , Yusong Wang , Mingyu Li , Jian Zhang , Bin Shao , Nanning Zheng , Jian Tang