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Extracting informative representations of molecules using Graph neural networks (GNNs) is crucial in AI-driven drug discovery. Recently, the graph research community has been trying to replicate the success of self-supervised pretraining in…

Machine Learning · Computer Science 2022-11-03 Ruoxi Sun , Hanjun Dai , Adams Wei Yu

Characterization of quantum systems from experimental data is a central problem in quantum science and technology. But which measurements should be used to gather data in the first place? While optimal measurement choices can be worked out…

Quantum Physics · Physics 2025-07-15 Jiaxin Huang , Yan Zhu , Giulio Chiribella , Ya-Dong Wu

We introduce a novel sequence-to-sequence (seq2seq) voice conversion (VC) model based on the Transformer architecture with text-to-speech (TTS) pretraining. Seq2seq VC models are attractive owing to their ability to convert prosody. While…

Audio and Speech Processing · Electrical Eng. & Systems 2019-12-17 Wen-Chin Huang , Tomoki Hayashi , Yi-Chiao Wu , Hirokazu Kameoka , Tomoki Toda

Existing curriculum learning approaches to Neural Machine Translation (NMT) require sampling sufficient amounts of "easy" samples from training data at the early training stage. This is not always achievable for low-resource languages where…

Computation and Language · Computer Science 2021-03-23 Chen Liang , Haoming Jiang , Xiaodong Liu , Pengcheng He , Weizhu Chen , Jianfeng Gao , Tuo Zhao

We present a novel neural network for processing sequences. The ByteNet is a one-dimensional convolutional neural network that is composed of two parts, one to encode the source sequence and the other to decode the target sequence. The two…

Computation and Language · Computer Science 2017-03-17 Nal Kalchbrenner , Lasse Espeholt , Karen Simonyan , Aaron van den Oord , Alex Graves , Koray Kavukcuoglu

This work presents SkinningNet, an end-to-end Two-Stream Graph Neural Network architecture that computes skinning weights from an input mesh and its associated skeleton, without making any assumptions on shape class and structure of the…

Computer Vision and Pattern Recognition · Computer Science 2022-04-07 Albert Mosella-Montoro , Javier Ruiz-Hidalgo

Pretext training followed by task-specific fine-tuning has been a successful approach in vision and language domains. This paper proposes a self-supervised pretext training framework tailored to event sequence data. We introduce a novel…

Machine Learning · Computer Science 2024-02-19 Yimu Wang , He Zhao , Ruizhi Deng , Frederick Tung , Greg Mori

Copying mechanism shows effectiveness in sequence-to-sequence based neural network models for text generation tasks, such as abstractive sentence summarization and question generation. However, existing works on modeling copying or pointing…

Computation and Language · Computer Science 2018-07-09 Qingyu Zhou , Nan Yang , Furu Wei , Ming Zhou

Deep neural networks have become ubiquitous for applications related to visual recognition and language understanding tasks. However, it is often prohibitive to use typical neural networks on devices like mobile phones or smart watches…

Machine Learning · Computer Science 2017-08-10 Sujith Ravi

Forecasting future outcomes from recent time series data is not easy, especially when the future data are different from the past (i.e. time series are under temporal drifts). Existing approaches show limited performances under data drifts,…

Machine Learning · Computer Science 2022-11-23 Jaehoon Lee , Chan Kim , Gyumin Lee , Haksoo Lim , Jeongwhan Choi , Kookjin Lee , Dongeun Lee , Sanghyun Hong , Noseong Park

This paper presents PreVIous, a methodology to predict the performance of convolutional neural networks (CNNs) in terms of throughput and energy consumption on vision-enabled devices for the Internet of Things. CNNs typically constitute a…

Computer Vision and Pattern Recognition · Computer Science 2020-03-18 Delia Velasco-Montero , Jorge Fernández-Berni , Ricardo Carmona-Galán , Ángel Rodríguez-Vázquez

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Machine Learning · Computer Science 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Logical reasoning tasks over symbols, such as learning arithmetic operations and computer program evaluations, have become challenges to deep learning. In particular, even state-of-the-art neural networks fail to achieve…

Machine Learning · Computer Science 2021-04-28 Segwang Kim , Hyoungwook Nam , Joonyoung Kim , Kyomin Jung

Graph neural networks (GNNs) and heterogeneous graph neural networks (HGNNs) are prominent techniques for homogeneous and heterogeneous graph representation learning, yet their performance in an end-to-end supervised framework greatly…

Machine Learning · Computer Science 2024-08-27 Xingtong Yu , Yuan Fang , Zemin Liu , Xinming Zhang

The predictive learning of spatiotemporal sequences aims to generate future images by learning from the historical context, where the visual dynamics are believed to have modular structures that can be learned with compositional subsystems.…

Machine Learning · Computer Science 2022-04-12 Yunbo Wang , Haixu Wu , Jianjin Zhang , Zhifeng Gao , Jianmin Wang , Philip S. Yu , Mingsheng Long

In this paper, we propose a general deep learning training framework XGrad which introduces weight prediction into the popular gradient-based optimizers to boost their convergence and generalization when training the deep neural network…

Machine Learning · Computer Science 2024-04-09 Lei Guan , Dongsheng Li , Yanqi Shi , Jian Meng

Visual-frame prediction is a pixel-dense prediction task that infers future frames from past frames. Lacking of appearance details, low prediction accuracy and high computational overhead are still major problems with current models or…

Computer Vision and Pattern Recognition · Computer Science 2022-11-16 Chaofan Ling , Junpei Zhong , Weihua Li

Temporal Graph Learning (TGL) has become a robust framework for discovering patterns in dynamic networks and predicting future interactions. While existing research has largely concentrated on learning from individual networks, this study…

Retrosynthesis prediction is a fundamental problem in organic synthesis, where the task is to identify precursor molecules that can be used to synthesize a target molecule. A key consideration in building neural models for this task is…

Machine Learning · Computer Science 2021-06-07 Vignesh Ram Somnath , Charlotte Bunne , Connor W. Coley , Andreas Krause , Regina Barzilay

Autoregressive sequence models based on deep neural networks, such as RNNs, Wavenet and the Transformer attain state-of-the-art results on many tasks. However, they are difficult to parallelize and are thus slow at processing long…

Machine Learning · Computer Science 2018-06-11 Łukasz Kaiser , Aurko Roy , Ashish Vaswani , Niki Parmar , Samy Bengio , Jakob Uszkoreit , Noam Shazeer
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