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Massive molecular simulations of drug-target proteins have been used as a tool to understand disease mechanism and develop therapeutics. This work focuses on learning a generative neural network on a structural ensemble of a drug-target…

机器学习 · 计算机科学 2022-05-24 N. Joseph Tatro , Payel Das , Pin-Yu Chen , Vijil Chenthamarakshan , Rongjie Lai

Masked Autoencoding (MAE) has emerged as an effective approach for pre-training representations across multiple domains. In contrast to discrete tokens in natural languages, the input for image MAE is continuous and subject to additional…

计算机视觉与模式识别 · 计算机科学 2022-10-14 Ronghang Hu , Shoubhik Debnath , Saining Xie , Xinlei Chen

Analysis of molecular scale interactions and chemical structure offers an enormous opportunity to tune material properties for targeted applications. However, designing materials from molecular scale is a grand challenge owing to the…

材料科学 · 物理学 2021-11-19 Praneeth S Ramesh , Tarak K Patra

Cancer is a heterogeneous disease with diverse molecular etiologies and outcomes. The Cancer Genome Atlas (TCGA) has released a large compendium of over 10,000 tumors with RNA-seq gene expression measurements. Gene expression captures the…

基因组学 · 定量生物学 2017-11-15 Gregory P. Way , Casey S. Greene

In principle, applying variational autoencoders (VAEs) to sequential data offers a method for controlled sequence generation, manipulation, and structured representation learning. However, training sequence VAEs is challenging:…

In this work, we develop new self-learning techniques with an attention-based sequence-to-sequence (seq2seq) model for automatic speech recognition (ASR). For untranscribed speech data, the hypothesis from an ASR system must be used as a…

计算与语言 · 计算机科学 2021-12-23 Kenichi Kumatani , Dimitrios Dimitriadis , Yashesh Gaur , Robert Gmyr , Sefik Emre Eskimez , Jinyu Li , Michael Zeng

Multiple modalities often co-occur when describing natural phenomena. Learning a joint representation of these modalities should yield deeper and more useful representations. Previous generative approaches to multi-modal input either do not…

机器学习 · 计算机科学 2018-11-13 Mike Wu , Noah Goodman

The variational autoencoder (VAE) is a popular deep latent variable model used to analyse high-dimensional datasets by learning a low-dimensional latent representation of the data. It simultaneously learns a generative model and an…

机器学习 · 计算机科学 2023-11-21 Mine Öğretir , Siddharth Ramchandran , Dimitrios Papatheodorou , Harri Lähdesmäki

Medical image analysis requires substantial labeled data for model training, yet expert annotation is expensive and time-consuming. Active learning (AL) addresses this challenge by strategically selecting the most informative samples for…

图像与视频处理 · 电气工程与系统科学 2026-03-06 Ifrat Ikhtear Uddin , Longwei Wang , Xiao Qin , Yang Zhou , KC Santosh

Learning interpretable representations of data remains a central challenge in deep learning. When training a deep generative model, the observed data are often associated with certain categorical labels, and, in parallel with learning to…

机器学习 · 计算机科学 2019-10-01 Yifan Xue , Michael Ding , Xinghua Lu

Multimodal variational autoencoders (VAEs) have emerged as a powerful framework for survival risk modeling in multiple myeloma by integrating heterogeneous omics and clinical data. However, when trained under survival supervision, standard…

机器学习 · 计算机科学 2026-04-09 Zixuan Chen , Heng Zhang , YuPeng Qin , WenPeng Xing , Qiang Wang , Da Wang , Changting Lin , Meng Han

Active learning reduces annotation costs in medical imaging by strategically selecting the most informative samples for labeling. However, individual acquisition strategies often exhibit inconsistent behavior across different stages of the…

计算机视觉与模式识别 · 计算机科学 2025-11-20 Nishchala Thakur , Swati Kochhar , Deepti R. Bathula , Sukrit Gupta

The outbreak of COVID-19 caused millions of deaths worldwide, and the number of total infections is still rising. It is necessary to identify some potentially effective drugs that can be used to prevent the development of severe symptoms or…

分子网络 · 定量生物学 2022-09-07 Fan Hu , Jiaxin Jiang , Peng Yin

Multimodal Variational Autoencoders have emerged as a popular tool to extract effective representations from rich multimodal data. However, such models rely on fusion strategies in latent space that destroy the joint statistical structure…

机器学习 · 计算机科学 2026-03-03 Federico Caretti , Guido Sanguinetti

Integrating physics models within machine learning models holds considerable promise toward learning robust models with improved interpretability and abilities to extrapolate. In this work, we focus on the integration of incomplete physics…

机器学习 · 计算机科学 2021-10-28 Naoya Takeishi , Alexandros Kalousis

Variational autoencoders (VAEs) have recently been used for unsupervised disentanglement learning of complex density distributions. Numerous variants exist to encourage disentanglement in latent space while improving reconstruction.…

机器学习 · 统计学 2022-06-10 Kenneth Ezukwoke , Anis Hoayek , Mireille Batton-Hubert , Xavier Boucher

Design of experiments (DOE) is playing an essential role in learning and improving a variety of objects and processes. The article discusses the application of unsupervised machine learning to support the pragmatic designs of complex…

机器学习 · 计算机科学 2021-10-07 Alex Glushkovsky

Active learning (AL) is a prominent technique for reducing the annotation effort required for training machine learning models. Deep learning offers a solution for several essential obstacles to deploying AL in practice but introduces many…

The vector quantization is a widely used method to map continuous representation to discrete space and has important application in tokenization for generative mode, bottlenecking information and many other tasks in machine learning. Vector…

机器学习 · 计算机科学 2024-10-15 Mingyuan Yan , Jiawei Wu , Rushi Shah , Dianbo Liu

The application of deep learning in survival analysis (SA) allows utilizing unstructured and high-dimensional data types uncommon in traditional survival methods. This allows to advance methods in fields such as digital health, predictive…

机器学习 · 计算机科学 2021-11-18 Tobias Weber , Michael Ingrisch , Bernd Bischl , David Rügamer