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Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

Graph generative models are essential across diverse scientific domains by capturing complex distributions over relational data. Among them, graph diffusion models achieve superior performance but face inefficient sampling and limited…

Machine Learning · Computer Science 2025-06-17 Yiming Qin , Manuel Madeira , Dorina Thanou , Pascal Frossard

To allow for tractable probabilistic inference with respect to domain sizes, lifted probabilistic inference exploits symmetries in probabilistic graphical models. However, checking whether two factors encode equivalent semantics and hence…

Artificial Intelligence · Computer Science 2024-04-08 Malte Luttermann , Johann Machemer , Marcel Gehrke

In this paper, we introduce dynamics factor graphs as a graphical framework to solve dynamics problems and kinodynamic motion planning problems with full consideration of whole-body dynamics and contacts. A factor graph representation of…

Robotics · Computer Science 2020-11-13 Mandy Xie , Alejandro Escontrela , Frank Dellaert

Generating novel molecules with optimal properties is a crucial step in many industries such as drug discovery. Recently, deep generative models have shown a promising way of performing de-novo molecular design. Although graph generative…

Machine Learning · Computer Science 2018-11-27 Rim Assouel , Mohamed Ahmed , Marwin H Segler , Amir Saffari , Yoshua Bengio

Graph data structures are fundamental for studying connected entities. With an increase in the number of applications where data is represented as graphs, the problem of graph generation has recently become a hot topic. However, despite its…

Rationale discovery is defined as finding a subset of the input data that maximally supports the prediction of downstream tasks. In the context of graph machine learning, graph rationale is defined to locate the critical subgraph in the…

Machine Learning · Computer Science 2025-01-28 Zhe Xu , Menghai Pan , Yuzhong Chen , Huiyuan Chen , Yuchen Yan , Mahashweta Das , Hanghang Tong

This paper addresses the challenge of object-centric layout generation under spatial constraints, seen in multiple domains including floorplan design process. The design process typically involves specifying a set of spatial constraints…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Mohammed Haroon Dupty , Yanfei Dong , Sicong Leng , Guoji Fu , Yong Liang Goh , Wei Lu , Wee Sun Lee

Algorithmic decisions about individuals require predictions that are not only accurate but also fair with respect to sensitive attributes such as gender and race. Causal notions of fairness align with legal requirements, yet many methods…

Machine Learning · Statistics 2026-03-02 Yoichi Chikahara

Classifier-free guidance (CFG) is a cornerstone of text-to-image diffusion models, yet its effectiveness is limited by the use of static guidance scales. This "one-size-fits-all" approach fails to adapt to the diverse requirements of…

Factor graph, as a bipartite graphical model, offers a structured representation by revealing local connections among graph nodes. This study explores the utilization of factor graphs in modeling the autonomous racecar planning problem,…

Robotics · Computer Science 2024-06-27 Salman Bari , Xiagong Wang , Ahmad Schoha Haidari , Dirk Wollherr

Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically…

Machine Learning · Computer Science 2021-01-21 Wenbin Zhang , Liming Zhang , Dieter Pfoser , Liang Zhao

Classifier-Free Guidance (CFG) is a widely used inference-time technique to boost the image quality of diffusion models. Yet, its reliance on text conditions prevents its use in unconditional generation. We propose a simple method to enable…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Weijia Zhang , Yuehao Liu , Shanyan Guan , Wu Ran , Yanhao Ge , Wei Li , Chao Ma

Classifier-free guidance (CFG) is a widely used technique for controllable generation in diffusion and flow-based models. Despite its empirical success, CFG relies on a heuristic linear extrapolation that is often sensitive to the guidance…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Jian-Feng Cai , Haixia Liu , Zhengyi Su , Chao Wang

This paper introduces a new framework for recovering causal graphs from observational data, leveraging the observation that the distribution of an effect, conditioned on its causes, remains invariant to changes in the prior distribution of…

Machine Learning · Computer Science 2026-02-04 Nang Hung Nguyen , Phi Le Nguyen , Thao Nguyen Truong , Trong Nghia Hoang , Masashi Sugiyama

Sampling-based motion planning methods for manipulators in crowded environments often suffer from expensive collision checking and high sampling complexity, which make them difficult to use in real time. To address this issue, we propose a…

Robotics · Computer Science 2024-04-02 Mingxin Yu , Chenning Yu , M-Mahdi Naddaf-Sh , Devesh Upadhyay , Sicun Gao , Chuchu Fan

In the fundamental statistics course, students are taught to remember the well-known saying: "Correlation is not Causation". Till now, statistics (i.e., correlation) have developed various successful frameworks, such as Transformer and…

Artificial Intelligence · Computer Science 2023-11-22 Ning Xu , Yifei Gao , Hongshuo Tian , Yongdong Zhang , An-An Liu

The Dynamical Graph Grammar (DGG) formalism can describe complex system dynamics with graphs that are mapped into a master equation. An exact stochastic simulation algorithm may be used, but it is slow for large systems. To overcome this…

Quantitative Methods · Quantitative Biology 2024-07-16 Eric Medwedeff , Eric Mjolsness

This paper presents a novel knowledge-informed graph neural planner (KG-Planner) to address the challenge of efficiently planning collision-free motions for robots in high-dimensional spaces, considering both static and dynamic environments…

Robotics · Computer Science 2024-05-14 Wansong Liu , Kareem Eltouny , Sibo Tian , Xiao Liang , Minghui Zheng

Control Flow Graphs (CFGs) are critical for analyzing program execution and characterizing malware behavior. With the growing adoption of Graph Neural Networks (GNNs), CFG-based representations have proven highly effective for malware…

Cryptography and Security · Computer Science 2025-08-22 Hossein Shokouhinejad , Griffin Higgins , Roozbeh Razavi-Far , Hesamodin Mohammadian , Ali A. Ghorbani