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Deep autoregressive sequence-to-sequence models have demonstrated impressive performance across a wide variety of tasks in recent years. While common architecture classes such as recurrent, convolutional, and self-attention networks make…

Machine Learning · Computer Science 2018-11-09 Mitchell Stern , Noam Shazeer , Jakob Uszkoreit

Autoregressive models excel in efficiency and plug directly into the transformer ecosystem, delivering robust generalization, predictable scalability, and seamless workflows such as fine-tuning and parallelized training. However, they…

Machine Learning · Computer Science 2025-06-13 Samuel Belkadi , Steve Hong , Marian Chen , Miruna Cretu , Charles Harris , Pietro Lio

The flow-based generative model is a deep learning generative model, which obtains the ability to generate data by explicitly learning the data distribution. Theoretically its ability to restore data is stronger than other generative…

Computer Vision and Pattern Recognition · Computer Science 2021-06-15 Gao Xu , Yuanpeng Long , Siwei Liu , Lijia Yang , Shimei Xu , Xiaoming Yao , Kunxian Shu

Graph generation with Machine Learning is an open problem with applications in various research fields. In this work, we propose to cast the generative process of a graph into a sequential one, relying on a node ordering procedure. We use…

Machine Learning · Statistics 2020-04-24 Davide Bacciu , Alessio Micheli , Marco Podda

A convolutional encoder-decoder-based transformer model is proposed for autoregressively training on spatio-temporal data of turbulent flows. The prediction of future fluid flow fields is based on the previously predicted fluid flow field…

Fluid Dynamics · Physics 2023-03-31 Aakash Patil , Jonathan Viquerat , Elie Hachem

We propose a combination of a variational autoencoder and a transformer based model which fully utilises graph convolutional and graph pooling layers to operate directly on graphs. The transformer model implements a novel node encoding…

Machine Learning · Computer Science 2021-04-12 Joshua Mitton , Hans M. Senn , Klaas Wynne , Roderick Murray-Smith

Predicting low-energy molecular conformations given a molecular graph is an important but challenging task in computational drug discovery. Existing state-of-the-art approaches either resort to large scale transformer-based models that…

Quantitative Methods · Quantitative Biology 2024-10-31 Majdi Hassan , Nikhil Shenoy , Jungyoon Lee , Hannes Stark , Stephan Thaler , Dominique Beaini

The autoregressive decoding for text generation in large language models (LLMs), while widely used, is inherently suboptimal due to the lack of a built-in mechanism to perform refinement and/or correction of the generated content. In this…

Computation and Language · Computer Science 2025-06-03 Zeyu Tang , Zhenhao Chen , Xiangchen Song , Loka Li , Yunlong Deng , Yifan Shen , Guangyi Chen , Peter Spirtes , Kun Zhang

Graph diffusion models achieve state-of-the-art performance in graph generation but suffer from quadratic complexity in the number of nodes -- and much of their capacity is wasted modeling the absence of edges in sparse graphs. Inspired by…

Machine Learning · Computer Science 2026-05-13 Antoine Siraudin , Christopher Morris

Sequence-to-sequence vision-language models are showing promise, but their applicability is limited by their inference latency due to their autoregressive way of generating predictions. We propose a parallel decoding sequence-to-sequence…

Computer Vision and Pattern Recognition · Computer Science 2025-03-14 Kunyu Shi , Qi Dong , Luis Goncalves , Zhuowen Tu , Stefano Soatto

This paper presents DetailFlow, a coarse-to-fine 1D autoregressive (AR) image generation method that models images through a novel next-detail prediction strategy. By learning a resolution-aware token sequence supervised with progressively…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 Yiheng Liu , Liao Qu , Huichao Zhang , Xu Wang , Yi Jiang , Yiming Gao , Hu Ye , Xian Li , Shuai Wang , Daniel K. Du , Fangmin Chen , Zehuan Yuan , Xinglong Wu

Recent advances in reaction prediction have achieved near-saturated accuracy on standard benchmarks (e.g., USPTO), yet most state-of-the-art models formulate the task as a one-shot mapping from reactants to products, offering limited…

Machine Learning · Computer Science 2026-02-12 Yili Shen , Xiangliang Zhang

We present Locality-aware Parallel Decoding (LPD) to accelerate autoregressive image generation. Traditional autoregressive image generation relies on next-patch prediction, a memory-bound process that leads to high latency. Existing works…

Computer Vision and Pattern Recognition · Computer Science 2026-03-12 Zhuoyang Zhang , Luke J. Huang , Chengyue Wu , Shang Yang , Kelly Peng , Yao Lu , Song Han

We study the problem of efficiently producing, in an online fashion, generative models of scalar, multiclass, and vector-valued outcomes that cannot be falsified on the basis of the observed data and a pre-specified collection of…

Machine Learning · Computer Science 2026-02-26 Gabriele Farina , Juan Carlos Perdomo

Deep generative models have been praised for their ability to learn smooth latent representation of images, text, and audio, which can then be used to generate new, plausible data. However, current generative models are unable to work with…

Machine Learning · Computer Science 2019-09-09 Bidisha Samanta , Abir De , Gourhari Jana , Pratim Kumar Chattaraj , Niloy Ganguly , Manuel Gomez-Rodriguez

Recently, parallel text generation has received widespread attention due to its success in generation efficiency. Although many advanced techniques are proposed to improve its generation quality, they still need the help of an…

Computation and Language · Computer Science 2022-04-06 Yu Bao , Hao Zhou , Shujian Huang , Dongqi Wang , Lihua Qian , Xinyu Dai , Jiajun Chen , Lei Li

We introduce graph normalizing flows: a new, reversible graph neural network model for prediction and generation. On supervised tasks, graph normalizing flows perform similarly to message passing neural networks, but at a significantly…

Machine Learning · Computer Science 2019-05-31 Jenny Liu , Aviral Kumar , Jimmy Ba , Jamie Kiros , Kevin Swersky

The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations. Here, we propose a model which mimics chemical reasoning and formalises reaction prediction as…

Artificial Intelligence · Computer Science 2017-12-27 Marwin H. S. Segler , Mark P. Waller

Forecasting neural activity in response to naturalistic stimuli remains a key challenge for understanding brain dynamics and enabling downstream neurotechnological applications. Here, we introduce a generative forecasting framework for…

Neurons and Cognition · Quantitative Biology 2026-04-14 Nicole Rogalla , Yuzhen Qin , Mario Senden , Ahmed El-Gazzar , Marcel van Gerven

It is fundamental for science and technology to be able to predict chemical reactions and their properties. To achieve such skills, it is important to develop good representations of chemical reactions, or good deep learning architectures…

Machine Learning · Computer Science 2022-01-05 Mohammadamin Tavakoli , Alexander Shmakov , Francesco Ceccarelli , Pierre Baldi