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Inverse molecular design with diffusion models holds great potential for advancements in material and drug discovery. Despite success in unconditional molecular generation, integrating multiple properties such as synthetic score and gas…

Machine Learning · Computer Science 2024-10-04 Gang Liu , Jiaxin Xu , Tengfei Luo , Meng Jiang

Learning graph generative models is a challenging task for deep learning and has wide applicability to a range of domains like chemistry, biology and social science. However current deep neural methods suffer from limited scalability: for a…

Machine Learning · Computer Science 2020-06-30 Hanjun Dai , Azade Nazi , Yujia Li , Bo Dai , Dale Schuurmans

A growing number of applications like probabilistic machine learning, sparse linear algebra, robotic navigation, etc., exhibit irregular data flow computation that can be modeled with directed acyclic graphs (DAGs). The irregularity arises…

Hardware Architecture · Computer Science 2022-10-25 Nimish Shah , Wannes Meert , Marian Verhelst

Causal representation learning aims to recover the latent causal variables and their causal relations, typically represented by directed acyclic graphs (DAGs), from low-level observations such as image pixels. A prevailing line of research…

Machine Learning · Computer Science 2026-04-28 Ignavier Ng , Shaoan Xie , Xinshuai Dong , Peter Spirtes , Kun Zhang

Mainly motivated by the problem of modelling directional dependence relationships for multivariate count data in high-dimensional settings, we present a new algorithm, called learnDAG, for learning the structure of directed acyclic graphs…

Methodology · Statistics 2024-06-10 Thi Kim Hue Nguyen , Monica Chiogna , Davide Risso

The recent works on causal discovery have followed a similar trend of learning partial ancestral graphs (PAGs) since observational data constrain the true causal directed acyclic graph (DAG) only up to a Markov equivalence class. This…

Machine Learning · Computer Science 2026-03-03 Tingrui Huang , Devendra Singh Dhami

Medical image understanding requires meticulous examination of fine visual details, with particular regions requiring additional attention. While radiologists build such expertise over years of experience, it is challenging for AI models to…

Computer Vision and Pattern Recognition · Computer Science 2024-12-09 Ying Jin , Zhuoran Zhou , Haoquan Fang , Jenq-Neng Hwang

Several recent studies have attempted to autoregressively generate continuous speech representations without discrete speech tokens by combining diffusion and autoregressive models, yet they often face challenges with excessive…

Audio and Speech Processing · Electrical Eng. & Systems 2025-12-09 Dongya Jia , Zhuo Chen , Jiawei Chen , Chenpeng Du , Jian Wu , Jian Cong , Xiaobin Zhuang , Chumin Li , Zhen Wei , Yuping Wang , Yuxuan Wang

Text-to-image diffusion models have achieved state-of-the-art results in synthesis tasks; however, there is a growing concern about their potential misuse in creating harmful content. To mitigate these risks, post-hoc model intervention…

Computer Vision and Pattern Recognition · Computer Science 2025-03-20 Feifei Li , Mi Zhang , Yiming Sun , Min Yang

Although auto-regressive models excel in natural language processing, they often struggle to generate diverse text and provide limited controllability. Non-auto-regressive methods could be an alternative but often produce degenerate outputs…

Computation and Language · Computer Science 2025-02-25 Hyukhun Koh , Minha Jhang , Dohyung Kim , Sangmook Lee , Kyomin Jung

Estimating a directed acyclic graph (DAG) from observational data represents a canonical learning problem and has generated a lot of interest in recent years. Research has focused mostly on the following two cases: when no information…

Applications · Statistics 2019-02-15 Syed Rahman , Kshitij Khare , George Michailidis , Carlos Martinez , Juan Carulla

We propose in this paper an analytically new construct of a diffusion model whose drift and diffusion parameters yield an exponentially time-decaying Signal to Noise Ratio in the forward process. In reverse, the construct cleverly carries…

Image and Video Processing · Electrical Eng. & Systems 2024-08-16 Tanmay Asthana , Yufang Bao , Hamid Krim

We study a family of regularized score-based estimators for learning the structure of a directed acyclic graph (DAG) for a multivariate normal distribution from high-dimensional data with $p\gg n$. Our main results establish support…

Statistics Theory · Mathematics 2017-10-03 Bryon Aragam , Arash A. Amini , Qing Zhou

Existing NAS methods suffer from either an excessive amount of time for repetitive sampling and training of many task-irrelevant architectures. To tackle such limitations of existing NAS methods, we propose a paradigm shift from NAS to a…

Machine Learning · Computer Science 2024-03-26 Sohyun An , Hayeon Lee , Jaehyeong Jo , Seanie Lee , Sung Ju Hwang

Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design,…

Machine Learning · Computer Science 2024-11-11 Xiaoyang Hou , Tian Zhu , Milong Ren , Dongbo Bu , Xin Gao , Chunming Zhang , Shiwei Sun

We study submodels of Gaussian DAG models defined by partial homogeneity constraints imposed on the model error variances and structural coefficients. We represent these models with colored DAGs and investigate their properties for use in…

Statistics Theory · Mathematics 2025-12-12 Tobias Boege , Kaie Kubjas , Pratik Misra , Liam Solus

Distributed ledgers, including blockchain and other decentralized databases, are designed to store information online where all trusted network members can update the data with transparency. The dynamics of ledger's development can be…

Probability · Mathematics 2026-03-10 Jiewei Feng , Christopher King

We introduce a structure for the directed acyclic graph (DAG) and a mechanism design based on that structure so that peers can reach consensus at large scale based on proof of work (PoW). We also design a mempool transaction assignment…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-01-10 Jiahao He , Guangju Wang , Guangyuan Zhang , Jiheng Zhang

Recent progress in image generation has sparked research into controlling these models through condition signals, with various methods addressing specific challenges in conditional generation. Instead of proposing another specialized…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Xirui Li , Charles Herrmann , Kelvin C. K. Chan , Yinxiao Li , Deqing Sun , Chao Ma , Ming-Hsuan Yang

Under stringent model type and variable distribution assumptions, differentiable score-based causal discovery methods learn a directed acyclic graph (DAG) from observational data by evaluating candidate graphs over an average score…

Machine Learning · Computer Science 2023-03-07 An Zhang , Fangfu Liu , Wenchang Ma , Zhibo Cai , Xiang Wang , Tat-seng Chua