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Molecular graph generation is a fundamental problem for drug discovery and has been attracting growing attention. The problem is challenging since it requires not only generating chemically valid molecular structures but also optimizing…

Machine Learning · Computer Science 2020-02-28 Chence Shi , Minkai Xu , Zhaocheng Zhu , Weinan Zhang , Ming Zhang , Jian Tang

Diffusion-based graph generative models have recently obtained promising results for graph generation. However, existing diffusion-based graph generative models are mostly one-shot generative models that apply Gaussian diffusion in the…

Artificial Intelligence · Computer Science 2023-07-19 Lingkai Kong , Jiaming Cui , Haotian Sun , Yuchen Zhuang , B. Aditya Prakash , Chao Zhang

How should future neural reasoning systems implement extended computation? Recursive Reasoning Models (RRMs) offer a promising alternative to autoregressive sequence extension by performing iterative latent-state refinement with shared…

Artificial Intelligence · Computer Science 2026-05-21 Junyeob Baek , Mingyu Jo , Minsu Kim , Mengye Ren , Yoshua Bengio , Sungjin Ahn

Continuous visual autoregressive (AR) models have demonstrated promising performance in image generation. However, the heavy autoregressive inference burden imposes significant overhead. In Large Language Models (LLMs), speculative decoding…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Zili Wang , Robert Zhang , Kun Ding , Qi Yang , Fei Li , Shiming Xiang

Knowledge Graph (KG) generation requires models to learn complex semantic dependencies between triples while maintaining domain validity constraints. Unlike link prediction, which scores triples independently, generative models must capture…

Artificial Intelligence · Computer Science 2026-02-09 Thiviyan Thanapalasingam , Antonis Vozikis , Peter Bloem , Paul Groth

The raster-ordered image token sequence exhibits a significant Euclidean distance between index-adjacent tokens at line breaks, making it unsuitable for autoregressive generation. To address this issue, this paper proposes Direction-Aware…

Computer Vision and Pattern Recognition · Computer Science 2025-04-17 Yijia Xu , Jianzhong Ju , Jian Luan , Jinshi Cui

We present Spanning Tree Autoregressive (STAR) modeling, which can incorporate prior knowledge of images, such as center bias and locality, to maintain sampling performance while also providing sufficiently flexible sequence orders to…

Computer Vision and Pattern Recognition · Computer Science 2025-11-24 Sangkyu Lee , Changho Lee , Janghoon Han , Hosung Song , Tackgeun You , Hwasup Lim , Stanley Jungkyu Choi , Honglak Lee , Youngjae Yu

Autoregressive models, such as the GPT family, use a fixed order, usually left-to-right, to generate sequences. However, this is not a necessity. In this paper, we challenge this assumption and show that by simply adding a positional…

Machine Learning · Computer Science 2024-07-02 Arnaud Pannatier , Evann Courdier , François Fleuret

Diffusion language models enable any-order generation and bidirectional conditioning, offering appealing flexibility for tasks such as infilling, rewriting, and self-correction. However, their formulation-predicting one part of a sequence…

Computation and Language · Computer Science 2026-01-21 Tianqi Du , Lizhe Fang , Weijie Yang , Chenheng Zhang , Zeming Wei , Yifei Wang , Yisen Wang

Autoregressive models are widely used for tasks such as image and audio generation. The sampling process of these models, however, does not allow interruptions and cannot adapt to real-time computational resources. This challenge impedes…

Machine Learning · Computer Science 2021-02-24 Yilun Xu , Yang Song , Sahaj Garg , Linyuan Gong , Rui Shu , Aditya Grover , Stefano Ermon

Autoregressive models have recently shown great promise in visual generation by leveraging discrete token sequences akin to language modeling. However, existing approaches often suffer from inefficiency, either due to token-by-token…

Computer Vision and Pattern Recognition · Computer Science 2025-11-20 Ruiqing Yang , Kaixin Zhang , Zheng Zhang , Shan You , Tao Huang

In many machine learning tasks, models are trained to predict structure data such as graphs. For example, in natural language processing, it is very common to parse texts into dependency trees or abstract meaning representation (AMR)…

Computation and Language · Computer Science 2022-01-25 Hoang Thanh Lam , Gabriele Picco , Yufang Hou , Young-Suk Lee , Lam M. Nguyen , Dzung T. Phan , Vanessa López , Ramon Fernandez Astudillo

One of the cornerstones of the field of signal processing on graphs are graph filters, direct analogues of classical filters, but intended for signals defined on graphs. This work brings forth new insights on the distributed graph filtering…

Machine Learning · Computer Science 2017-09-18 Elvin Isufi , Andreas Loukas , Andrea Simonetto , Geert Leus

Sequential computation via autoregressive generation can make difficult tasks learnable, but the generation order of intermediate states strongly affects whether training succeeds. We address the problem of discovering a learning-friendly…

Machine Learning · Computer Science 2026-05-11 Yuta Sato , Kazuhiko Kawamoto , Hiroshi Kera

Recent works on machine learning for combinatorial optimization have shown that learning based approaches can outperform heuristic methods in terms of speed and performance. In this paper, we consider the problem of finding an optimal…

There has been a lot of recent interest in designing neural network models to estimate a distribution from a set of examples. We introduce a simple modification for autoencoder neural networks that yields powerful generative models. Our…

Machine Learning · Computer Science 2015-06-08 Mathieu Germain , Karol Gregor , Iain Murray , Hugo Larochelle

In recent years, masked diffusion models (MDMs) have emerged as a promising alternative approach for generative modeling over discrete domains. Compared to autoregressive models (ARMs), MDMs trade off complexity at training time with…

Machine Learning · Computer Science 2025-08-21 Jaeyeon Kim , Kulin Shah , Vasilis Kontonis , Sham Kakade , Sitan Chen

Masked Diffusion Models (MDMs) have emerged as one of the most promising paradigms for generative modeling over discrete domains. It is known that MDMs effectively train to decode tokens in a random order, and that this ordering has…

Machine Learning · Computer Science 2025-11-25 Prateek Garg , Bhavya Kohli , Sunita Sarawagi

Autoregressive (AR) image generators are becoming increasingly popular due to their ability to produce high-quality images and their scalability. Typical AR models are locked onto a specific generation order, often a raster-scan from…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Rishav Pramanik , Amin Sghaier , Masih Aminbeidokhti , Juan A. Rodriguez , Antoine Poupon , David Vazquez , Christopher Pal , Zhaozheng Yin , Marco Pedersoli

Graph State Space Models (SSMs) have recently been introduced to enhance Graph Neural Networks (GNNs) in modeling long-range interactions. Despite their success, existing methods either compromise on permutation equivariance or limit their…

Machine Learning · Computer Science 2025-01-23 Moshe Eliasof , Alessio Gravina , Andrea Ceni , Claudio Gallicchio , Davide Bacciu , Carola-Bibiane Schönlieb