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Epidemiological models can not only be used to forecast the course of a pandemic like COVID-19, but also to propose and design non-pharmaceutical interventions such as school and work closing. In general, the design of optimal policies…

最优化与控制 · 数学 2023-04-06 Jan-Hendrik Niemann , Samuel Uram , Sarah Wolf , Nataša Djurdjevac Conrad , Martin Weiser

Session-based recommendation (SBR) aims to predict the user next action based on the ongoing sessions. Recently, there has been an increasing interest in modeling the user preference evolution to capture the fine-grained user interests.…

信息检索 · 计算机科学 2022-08-23 Jiayan Guo , Peiyan Zhang , Chaozhuo Li , Xing Xie , Yan Zhang , Sunghun Kim

Learning on molecule graphs has become an increasingly important topic in AI for science, which takes full advantage of AI to facilitate scientific discovery. Existing solutions on modeling molecules utilize Graph Neural Networks (GNNs) to…

机器学习 · 计算机科学 2025-05-13 Limin Li , Kuo Yang , Wenjie Du , Pengkun Wang , Zhengyang Zhou , Yang Wang

The real world is awash with multi-agent problems that require collective action by self-interested agents, from the routing of packets across a computer network to the management of irrigation systems. Such systems have local incentives…

多智能体系统 · 计算机科学 2021-02-16 Michiel A. Bakker , Richard Everett , Laura Weidinger , Iason Gabriel , William S. Isaac , Joel Z. Leibo , Edward Hughes

We propose a novel score-based approach to learning a directed acyclic graph (DAG) from observational data. We adapt a recently proposed continuous constrained optimization formulation to allow for nonlinear relationships between variables…

机器学习 · 计算机科学 2020-02-19 Sébastien Lachapelle , Philippe Brouillard , Tristan Deleu , Simon Lacoste-Julien

During the COVID-19 pandemic, a major driver of new surges has been the emergence of new variants. When a new variant emerges in one or more countries, other nations monitor its spread in preparation for its potential arrival. The impact of…

种群与进化 · 定量生物学 2024-12-30 Majd Al Aawar , Srikar Mutnuri , Mansooreh Montazerin , Ajitesh Srivastava

Synthesizing tabular data is attracting much attention these days for various purposes. With sophisticate synthetic data, for instance, one can augment its training data. For the past couple of years, tabular data synthesis techniques have…

机器学习 · 计算机科学 2021-06-01 Jayoung Kim , Jinsung Jeon , Jaehoon Lee , Jihyeon Hyeong , Noseong Park

We consider the problem of estimating the differences between two causal directed acyclic graph (DAG) models with a shared topological order given i.i.d. samples from each model. This is of interest for example in genomics, where changes in…

统计方法学 · 统计学 2018-11-08 Yuhao Wang , Chandler Squires , Anastasiya Belyaeva , Caroline Uhler

Identifying causal relations among multi-variate time series is one of the most important elements towards understanding the complex mechanisms underlying the dynamic system. It provides critical tools for forecasting, simulations and…

机器学习 · 计算机科学 2023-02-22 Yang Sun , Yifan Xie

Graph Neural Networks achieve remarkable results on problems with structured data but come as black-box predictors. Transferring existing explanation techniques, such as occlusion, fails as even removing a single node or edge can lead to…

机器学习 · 计算机科学 2020-10-27 Lukas Faber , Amin K. Moghaddam , Roger Wattenhofer

Hybrid models composing mechanistic ODE-based dynamics with flexible and expressive neural network components have grown rapidly in popularity, especially in scientific domains where such ODE-based modeling offers important interpretability…

机器学习 · 计算机科学 2026-02-02 Bob Junyi Zou , Matthew E. Levine , Dessi P. Zaharieva , Ramesh Johari , Emily B. Fox

Over the course of the COVID-19 pandemic, Generalised Additive Models (GAMs) have been successfully employed on numerous occasions to obtain vital data-driven insights. In this paper we further substantiate the success story of GAMs,…

The capture of changes in dynamic systems, especially ordinary differential equations (ODEs), is an important and challenging task, with multiple applications in biomedical research and other scientific areas. This article proposes a fast…

应用统计 · 统计学 2024-11-20 Yan Sun , Yeping Wang , Zhaohui Li , Shihao Yang

In observational studies, the true causal model is typically unknown and needs to be estimated from available observational and limited experimental data. In such cases, the learned causal model is commonly represented as a partially…

人工智能 · 计算机科学 2023-03-01 Malte Luttermann , Marcel Wienöbst , Maciej Liśkiewicz

The physical world is governed by the laws of physics, often represented in form of nonlinear partial differential equations (PDEs). Unfortunately, solution of PDEs is non-trivial and often involves significant computational time. With…

机器学习 · 统计学 2021-08-25 Yash Kumar , Souvik Chakraborty

COVID-19 pandemic is severely impacting the lives of billions across the globe. Even after taking massive protective measures like nation-wide lockdowns, discontinuation of international flight services, rigorous testing etc., the infection…

定量方法 · 定量生物学 2020-08-28 Sayantari Ghosh , Saumik Bhattacharya

Controllable molecular graph generation is essential for material and drug discovery, where generated molecules must satisfy diverse property constraints. While recent advances in graph diffusion models have improved generation quality,…

机器学习 · 计算机科学 2025-09-30 Anjie Qiao , Zhen Wang , Chuan Chen , DeFu Lian , Enhong Chen

Evaluation of intervention in a multiagent system, e.g., when humans should intervene in autonomous driving systems and when a player should pass to teammates for a good shot, is challenging in various engineering and scientific fields.…

人工智能 · 计算机科学 2024-02-20 Keisuke Fujii , Koh Takeuchi , Atsushi Kuribayashi , Naoya Takeishi , Yoshinobu Kawahara , Kazuya Takeda

Estimating the conditional average treatment effects (CATE) is very important in causal inference and has a wide range of applications across many fields. In the estimation process of CATE, the unconfoundedness assumption is typically…

机器学习 · 计算机科学 2024-12-16 Pengfei Shi , Wei Zhong , Xinyu Zhang , Ningtao Wang , Xing Fu , Weiqiang Wang , Yin Jin

Causal inference methods for observational data are increasingly recognized as a valuable complement to randomized clinical trials (RCTs). They can, under strong assumptions, emulate RCTs or help refine their focus. Our approach to causal…

统计方法学 · 统计学 2024-08-14 Carlo Berzuini , Davide Luciani , Hiren C. Patel