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We seek to automate the design of molecules based on specific chemical properties. In computational terms, this task involves continuous embedding and generation of molecular graphs. Our primary contribution is the direct realization of…

机器学习 · 计算机科学 2019-04-01 Wengong Jin , Regina Barzilay , Tommi Jaakkola

We consider the problem of graph generation guided by network statistics, i.e., the generation of graphs which have given values of various numerical measures that characterize networks, such as the clustering coefficient and the number of…

社会与信息网络 · 计算机科学 2023-03-02 Jérôme Kunegis , Jun Sun , Eiko Yoneki

Generative probabilistic forecasting produces future time series samples according to the conditional probability distribution given past time series observations. Such techniques are essential in risk-based decision-making and planning…

机器学习 · 计算机科学 2024-02-22 Xinyi Wang , Lang Tong , Qing Zhao

While much work has explored probabilistic graphical models for independent data, less attention has been paid to time series. The goal in this setting is to determine conditional independence relations between entire time series, which for…

统计方法学 · 统计学 2015-07-06 Alex Tank , Nicholas Foti , Emily Fox

Diffusion models have achieved great success in image generation. However, when leveraging this idea for video generation, we face significant challenges in maintaining the consistency and continuity across video frames. This is mainly…

计算机视觉与模式识别 · 计算机科学 2024-03-25 Haoran Lang , Yuxuan Ge , Zheng Tian

Recent studies have shown great promise in applying graph neural networks for multivariate time series forecasting, where the interactions of time series are described as a graph structure and the variables are represented as the graph…

机器学习 · 计算机科学 2022-06-29 Junchen Ye , Zihan Liu , Bowen Du , Leilei Sun , Weimiao Li , Yanjie Fu , Hui Xiong

In quantum many-body systems, measurements can induce qualitative new features, but their simulation is hindered by the exponential complexity involved in sampling the measurement results. We propose to use machine learning to assist the…

量子物理 · 物理学 2024-12-03 Yuchen Zhu , Molei Tao , Yuebo Jin , Xie Chen

Dynamic link prediction is important for modeling evolving interactions in complex systems, including social, communication, financial, and transportation networks. Classical temporal graph models capture sequential dependencies, but they…

Spatiotemporal time series nowcasting should preserve temporal and spatial dynamics in the sense that generated new sequences from models respect the covariance relationship from history. Conventional feature extractors are built with deep…

机器学习 · 计算机科学 2022-01-19 Bo Feng , Geoffrey Fox

We propose a novel formalism for describing Structural Causal Models (SCMs) as fixed-point problems on causally ordered variables, eliminating the need for Directed Acyclic Graphs (DAGs), and establish the weakest known conditions for their…

机器学习 · 计算机科学 2024-12-16 Meyer Scetbon , Joel Jennings , Agrin Hilmkil , Cheng Zhang , Chao Ma

Generative models for network time series (also known as dynamic graphs) have tremendous potential in fields such as epidemiology, biology and economics, where complex graph-based dynamics are core objects of study. Designing flexible and…

机器学习 · 统计学 2023-11-01 Jase Clarkson , Mihai Cucuringu , Andrew Elliott , Gesine Reinert

Time series generation is critical for a wide range of applications, which greatly supports downstream analytical and decision-making tasks. However, the inherent temporal heterogeneous induced by localized perturbations present significant…

机器学习 · 计算机科学 2025-11-19 Jintao Zhang , Mingyue Cheng , Zirui Liu , Xianquan Wang , Yitong Zhou , Qi Liu

Time-varying graph signals are alternative representation of multivariate (or multichannel) signals in which a single time-series is associated with each of the nodes or vertex of a graph. Aided by the graph-theoretic tools, time-varying…

信号处理 · 电气工程与系统科学 2023-01-10 Naveed ur Rehman

Generative models are designed to address the data scarcity problem. Even with the exploding amount of data, due to computational advancements, some applications (e.g., health care, weather forecast, fault detection) still suffer from data…

机器学习 · 计算机科学 2024-05-07 Alireza Koochali , Maria Walch , Sankrutyayan Thota , Peter Schichtel , Andreas Dengel , Sheraz Ahmed

Traditional time series forecasting models mainly rely on historical numeric values to predict future outcomes.While these models have shown promising results, they often overlook the rich information available in other modalities, such as…

机器学习 · 计算机科学 2024-11-05 Ming-Chih Lo , Ching Chang , Wen-Chih Peng

Multivariate time series (MTS) forecasting is an essential problem in many fields. Accurate forecasting results can effectively help decision-making. To date, many MTS forecasting methods have been proposed and widely applied. However,…

机器学习 · 计算机科学 2021-12-16 Ziheng Duan , Haoyan Xu , Yida Huang , Jie Feng , Yueyang Wang

Training generative models that capture rich semantics of the data and interpreting the latent representations encoded by such models are very important problems in un-/self-supervised learning. In this work, we provide a simple algorithm…

机器学习 · 计算机科学 2024-09-02 Samuel C. Hoffman , Payel Das , Karthikeyan Shanmugam , Kahini Wadhawan , Prasanna Sattigeri

This paper endeavors to learn time-varying graphs by using structured temporal priors that assume underlying relations between arbitrary two graphs in the graph sequence. Different from many existing chain structure based methods in which…

机器学习 · 计算机科学 2022-02-24 Xiang Zhang , Qiao Wang

Transformers have become widely used in various tasks, such as natural language processing and machine vision. This paper proposes Gransformer, an algorithm based on Transformer for generating graphs. We modify the Transformer encoder to…

机器学习 · 计算机科学 2024-06-03 Ahmad Khajenezhad , Seyed Ali Osia , Mahmood Karimian , Hamid Beigy

Energy systems modeling frequently relies on time series data, whether observed or forecast. This is particularly the case, for example, in capacity planning models that use hourly production and load data forecast to occur over the coming…

统计计算 · 统计学 2025-02-13 Kelly Wang , Steven O. Kimbrough