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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…

机器学习 · 计算机科学 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…

量子物理 · 物理学 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…

音频与语音处理 · 电气工程与系统科学 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…

计算与语言 · 计算机科学 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…

计算与语言 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算与语言 · 计算机科学 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…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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.…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 2018-06-11 Łukasz Kaiser , Aurko Roy , Ashish Vaswani , Niki Parmar , Samy Bengio , Jakob Uszkoreit , Noam Shazeer