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Training deep learning models on limited data while maintaining generalization is one of the fundamental challenges in molecular property prediction. One effective solution is transferring knowledge extracted from abundant datasets to those…

Machine Learning · Computer Science 2024-09-26 Soorin Yim , Dae-Woong Jeong , Sung Moon Ko , Sumin Lee , Hyunseung Kim , Chanhui Lee , Sehui Han

Transfer learning is a crucial technique for handling a small amount of data that is potentially related to other abundant data. However, most of the existing methods are focused on classification tasks using images and language datasets.…

Artificial Intelligence · Computer Science 2025-06-16 Sung Moon Ko , Sumin Lee , Dae-Woong Jeong , Woohyung Lim , Sehui Han

The encoding of input parameters is one of the fundamental building blocks of neural network algorithms. Its goal is to map the input data to a higher-dimensional space, typically supported by trained feature vectors. The mapping is crucial…

Graphics · Computer Science 2025-07-29 Jakub Bokšanský , Daniel Meister , Carsten Benthin

The rapid expansion of latency-sensitive applications has sparked renewed interest in deploying edge computing capabilities aboard satellite constellations, aiming to achieve truly global and seamless service coverage. On one hand, it is…

Networking and Internet Architecture · Computer Science 2025-11-21 Haotong Wang , Jun Du , Chunxiao Jiang , Jintao Wang , Mérouane Debbah , Zhu Han

While model architectures and training strategies have become more generic and flexible with respect to different data modalities over the past years, a persistent limitation lies in the assumption of fixed quantities and arrangements of…

Image and Video Processing · Electrical Eng. & Systems 2023-11-07 Lisa Weijler , Florian Kowarsch , Michael Reiter , Pedro Hermosilla , Margarita Maurer-Granofszky , Michael Dworzak

Accurate identification of protein-nucleotide binding sites is fundamental to deciphering molecular mechanisms and accelerating drug discovery. However, current computational methods often struggle with suboptimal performance due to…

Machine Learning · Computer Science 2026-03-17 Yiming Gao , Liuyi Xu , Pengshan Cui , Yining Qian , An-Yang Lu , Xianpeng Wang

We view molecular optimization as a graph-to-graph translation problem. The goal is to learn to map from one molecular graph to another with better properties based on an available corpus of paired molecules. Since molecules can be…

Machine Learning · Computer Science 2019-01-30 Wengong Jin , Kevin Yang , Regina Barzilay , Tommi Jaakkola

Artificial intelligence (AI) has emerged as a powerful accelerator of materials discovery, yet most existing models remain problem-specific, requiring additional data collection and retraining for each new property. Here we introduce and…

Recent progress in cross-lingual relation and event extraction use graph convolutional networks (GCNs) with universal dependency parses to learn language-agnostic sentence representations such that models trained on one language can be…

Computation and Language · Computer Science 2021-02-19 Wasi Uddin Ahmad , Nanyun Peng , Kai-Wei Chang

As transformers are equivariant to the permutation of input tokens, encoding the positional information of tokens is necessary for many tasks. However, since existing positional encoding schemes have been initially designed for NLP tasks,…

Computer Vision and Pattern Recognition · Computer Science 2024-06-10 Takeru Miyato , Bernhard Jaeger , Max Welling , Andreas Geiger

The recent advance of edge computing technology enables significant sensing performance improvement of Internet of Things (IoT) networks. In particular, an edge server (ES) is responsible for gathering sensing data from distributed sensing…

Signal Processing · Electrical Eng. & Systems 2025-04-17 Huawei Hou , Suzhi Bi , Xian Li , Shuoyao Wang , Liping Qian , Zhi Quan

Autoencoders have emerged as powerful models for visualization and dimensionality reduction based on the fundamental assumption that high-dimensional data is generated from a low-dimensional manifold. A critical challenge in autoencoder…

Machine Learning · Computer Science 2025-09-30 Qipeng Zhan , Zhuoping Zhou , Zexuan Wang , Li Shen

Transformers have become methods of choice in many applications thanks to their ability to represent complex interactions between elements. However, extending the Transformer architecture to non-sequential data such as molecules and…

Machine Learning · Computer Science 2022-04-27 Yoni Choukroun , Lior Wolf

In this paper we study multi-task oriented communication system via studying analog encoding method for multiple estimation tasks. The basic idea is to utilize the correlation among interested information required by different tasks and the…

Information Theory · Computer Science 2023-05-18 Chenmin Sha , Shidong Zhou

We propose a new architecture called Memory-Augmented Encoder-Solver (MAES) that enables transfer learning to solve complex working memory tasks adapted from cognitive psychology. It uses dual recurrent neural network controllers, inside…

Machine Learning · Computer Science 2018-10-01 T. S. Jayram , Tomasz Kornuta , Ryan L. McAvoy , Ahmet S. Ozcan

Multi-task semantic communication can serve multiple learning tasks using a shared encoder model. Existing models have overlooked the intricate relationships between features extracted during an encoding process of tasks. This paper…

Machine Learning · Computer Science 2025-01-07 Xi Yu , Tiejun Lv , Weicai Li , Wei Ni , Dusit Niyato , Ekram Hossain

Real-world processes often generate data that are a mix of categorical and numeric values that are recorded at irregular and informative intervals. Discrete token-based approaches are limited in numeric representation capacity while methods…

Machine Learning · Computer Science 2025-06-02 Andrew J. Loza , Jun Yup Kim , Shangzheng Song , Yihang Liu , Joseph J. Y. Sung , R Andrew Taylor , Dennis L. Shung

Multi-task learning (MTL) has become an essential machine learning tool for addressing multiple learning tasks simultaneously and has been effectively applied across fields such as healthcare, marketing, and biomedical research. However, to…

Machine Learning · Statistics 2025-06-02 Yang Sui , Qi Xu , Yang Bai , Annie Qu

Problems involving geometric data arise in physics, chemistry, robotics, computer vision, and many other fields. Such data can take numerous forms, for instance points, direction vectors, translations, or rotations, but to date there is no…

Machine Learning · Computer Science 2023-11-21 Johann Brehmer , Pim de Haan , Sönke Behrends , Taco Cohen

Target encoding is an effective technique to deliver better performance for conventional machine learning methods, and recently, for deep neural networks as well. However, the existing target encoding approaches require significant increase…

Machine Learning · Computer Science 2019-10-22 Mayoore S. Jaiswal , Bumsoo Kang , Jinho Lee , Minsik Cho
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