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The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships.…

Deep neural networks have been widely used in communication signal recognition and achieved remarkable performance, but this superiority typically depends on using massive examples for supervised learning, whereas training a deep neural…

信号处理 · 电气工程与系统科学 2023-11-15 Weidong Wang , Hongshu Liao , Lu Gan

Weak supervision searches have in principle the advantages of both being able to train on experimental data and being able to learn distinctive signal properties. However, the practical applicability of such searches is limited by the fact…

高能物理 - 唯象学 · 物理学 2024-03-05 Hugues Beauchesne , Zong-En Chen , Cheng-Wei Chiang

Deep networks are successfully used as classification models yielding state-of-the-art results when trained on a large number of labeled samples. These models, however, are usually much less suited for semi-supervised problems because of…

机器学习 · 计算机科学 2018-12-05 Elad Hoffer , Nir Ailon

Transfer learning for partial differential equations (PDEs) is to develop a pre-trained neural network that can be used to solve a wide class of PDEs. Existing transfer learning approaches require much information of the target PDEs such as…

数值分析 · 数学 2023-01-30 Zezhong Zhang , Feng Bao , Lili Ju , Guannan Zhang

Most of the approaches for discovering visual attributes in images demand significant supervision, which is cumbersome to obtain. In this paper, we aim to discover visual attributes in a weakly supervised setting that is commonly…

计算机视觉与模式识别 · 计算机科学 2015-04-21 Sukrit Shankar , Vikas K. Garg , Roberto Cipolla

Accurate prediction of diverse chemical properties is crucial for advancing molecular design and materials discovery. Here we present a versatile approach that uses the intermediate information of a universal neural network potential as a…

量子物理 · 物理学 2024-07-17 Tomoya Shiota , Kenji Ishihara , Wataru Mizukami

Recent advances in deep learning have led to significant progress in the computer vision field, especially for visual object recognition tasks. The features useful for object classification are learned by feed-forward deep convolutional…

计算机视觉与模式识别 · 计算机科学 2016-01-08 Panqu Wang , Garrison W. Cottrell

Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already…

机器学习 · 计算机科学 2017-06-14 Justin Gilmer , Samuel S. Schoenholz , Patrick F. Riley , Oriol Vinyals , George E. Dahl

In the legal domain it is important to differentiate between words in general, and afterwards to link the occurrences of the same entities. The topic to solve these challenges is called Named-Entity Linking (NEL). Current supervised neural…

机器学习 · 计算机科学 2018-10-17 Ahmed Elnaggar , Robin Otto , Florian Matthes

Deep convolutional neural networks (CNNs) have been immensely successful in many high-level computer vision tasks given large labeled datasets. However, for video semantic object segmentation, a domain where labels are scarce, effectively…

计算机视觉与模式识别 · 计算机科学 2016-06-08 Huiling Wang , Tapani Raiko , Lasse Lensu , Tinghuai Wang , Juha Karhunen

Prediction of molecular properties, including physico-chemical properties, is a challenging task in chemistry. Herein we present a new state-of-the-art multitask prediction method based on existing graph neural network models. We have used…

机器学习 · 计算机科学 2019-10-31 Fabio Capela , Vincent Nouchi , Ruud Van Deursen , Igor V. Tetko , Guillaume Godin

Recent studies show that pretraining a deep neural network with fine-grained labeled data, followed by fine-tuning on coarse-labeled data for downstream tasks, often yields better generalization than pretraining with coarse-labeled data.…

机器学习 · 计算机科学 2024-12-11 Guan Zhe Hong , Yin Cui , Ariel Fuxman , Stanley Chan , Enming Luo

The success of deep learning has been due, in no small part, to the availability of large annotated datasets. Thus, a major bottleneck in current learning pipelines is the time-consuming human annotation of data. In scenarios where such…

机器学习 · 计算机科学 2021-01-29 Alona Golts , Daniel Freedman , Michael Elad

Learning with kernels is an important concept in machine learning. Standard approaches for kernel methods often use predefined kernels that require careful selection of hyperparameters. To mitigate this burden, we propose in this paper a…

机器学习 · 计算机科学 2020-06-26 Yufan Zhou , Changyou Chen , Jinhui Xu

Transfer learning for deep neural networks is the process of first training a base network on a source dataset, and then transferring the learned features (the network's weights) to a second network to be trained on a target dataset. This…

In typical machine learning tasks and applications, it is necessary to obtain or create large labeled datasets in order to to achieve high performance. Unfortunately, large labeled datasets are not always available and can be expensive to…

机器学习 · 统计学 2018-08-23 Rishi Sharma , Amir Barati Farimani , Joe Gomes , Peter Eastman , Vijay Pande

Despite deep convolutional neural networks boost the performance of image classification and segmentation in digital pathology analysis, they are usually weak in interpretability for clinical applications or require heavy annotations to…

计算机视觉与模式识别 · 计算机科学 2020-02-10 Yongxiang Huang , Albert C. S. Chung

This study presents a novel Machine Learning Algorithm, named Chemical Environment Graph Neural Network (ChemGNN), designed to accelerate materials property prediction and advance new materials discovery. Graphitic carbon nitride (g-C3N4)…

化学物理 · 物理学 2023-09-20 Chen Chen , Enze Xu , Defu Yang , Chenggang Yan , Tao Wei , Hanning Chen , Yong Wei , Minghan Chen

We present a simple yet efficient approach capable of training deep neural networks on large-scale weakly-supervised web images, which are crawled raw from the Internet by using text queries, without any human annotation. We develop a…

计算机视觉与模式识别 · 计算机科学 2018-10-19 Sheng Guo , Weilin Huang , Haozhi Zhang , Chenfan Zhuang , Dengke Dong , Matthew R. Scott , Dinglong Huang