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Graph generation is a critical yet challenging task, as empirical analyses require a deep understanding of complex, non-Euclidean structures. Diffusion models have recently made significant advances in graph generation, but these models are…

机器学习 · 计算机科学 2026-03-13 Yiming Huang , Tolga Birdal

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are…

机器学习 · 计算机科学 2024-06-04 Jaehyeong Jo , Dongki Kim , Sung Ju Hwang

Advancements in generative models have sparked significant interest in generating images while adhering to specific structural guidelines. Scene graph to image generation is one such task of generating images which are consistent with the…

计算机视觉与模式识别 · 计算机科学 2024-07-23 Rameshwar Mishra , A V Subramanyam

Recent advances in Diffusion Probabilistic Models (DPMs) have set new standards in high-quality image synthesis. Yet, controlled generation remains challenging, particularly in sensitive areas such as medical imaging. Medical images feature…

计算机视觉与模式识别 · 计算机科学 2025-10-09 Sarah Cechnicka , Matthew Baugh , Weitong Zhang , Mischa Dombrowski , Zhe Li , Johannes C. Paetzold , Candice Roufosse , Bernhard Kainz

Classifier-free guidance has become a staple for conditional generation with denoising diffusion models. However, a comprehensive understanding of classifier-free guidance is still missing. In this work, we carry out an empirical study to…

计算机视觉与模式识别 · 计算机科学 2025-11-25 Xiaoming Zhao , Alexander G. Schwing

Persistent (co)homology is a central construction in topological data analysis, where it is used to quantify prominence of features in data to produce stable descriptors suitable for downstream analysis. Persistence is challenging to…

计算几何 · 计算机科学 2024-10-23 Arnur Nigmetov , Dmitriy Morozov

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel…

机器学习 · 计算机科学 2023-05-24 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

Persistent homology, a technique from computational topology, has recently shown strong empirical performance in the context of graph classification. Being able to capture long range graph properties via higher-order topological features,…

机器学习 · 计算机科学 2024-12-20 Rubén Ballester , Bastian Rieck

Persistent homology (PH) has recently emerged as a powerful tool for extracting topological features. Integrating PH into machine learning and deep learning models enhances topology awareness and interpretability. However, most PH methods…

机器学习 · 计算机科学 2026-01-05 Xinyang Chen , Amaël Broustet , Guanyuan Zeng , Cheng He , Guoting Chen

Graph is a prevalent discrete data structure, whose generation has wide applications such as drug discovery and circuit design. Diffusion generative models, as an emerging research focus, have been applied to graph generation tasks.…

机器学习 · 计算机科学 2024-11-05 Zhe Xu , Ruizhong Qiu , Yuzhong Chen , Huiyuan Chen , Xiran Fan , Menghai Pan , Zhichen Zeng , Mahashweta Das , Hanghang Tong

Inferring seabed topography from wave height observations is fundamental to tsunami hazard assessment, coastal planning, and large scale ocean circulation modeling. Classical inversion models typically rely on direct sensing or optimization…

大气与海洋物理 · 物理学 2025-09-03 Aoming Liang , Qi Liu , Weicheng Cui

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…

机器学习 · 计算机科学 2025-06-17 Yiming Qin , Manuel Madeira , Dorina Thanou , Pascal Frossard

Diffusion models form an important class of generative models today, accounting for much of the state of the art in cutting edge AI research. While numerous extensions beyond image and video generation exist, few of such approaches address…

机器学习 · 计算机科学 2025-04-30 Hao Luan , See-Kiong Ng , Chun Kai Ling

Topology applied to real world data using persistent homology has started to find applications within machine learning, including deep learning. We present a differentiable topology layer that computes persistent homology based on level set…

Structural topology optimization, which aims to find the optimal physical structure that maximizes mechanical performance, is vital in engineering design applications in aerospace, mechanical, and civil engineering. Generative adversarial…

机器学习 · 计算机科学 2022-12-07 François Mazé , Faez Ahmed

Discrete diffusion models have recently shown significant progress in modeling complex data, such as natural languages and DNA sequences. However, unlike diffusion models for continuous data, which can generate high-quality samples in just…

机器学习 · 计算机科学 2025-03-20 Anji Liu , Oliver Broadrick , Mathias Niepert , Guy Van den Broeck

Reinforcement learning fine-tuning has proven effective for steering generative diffusion models toward desired properties in image and molecular domains. Graph diffusion models have similarly been applied to combinatorial structure…

机器学习 · 计算机科学 2026-04-01 Aleksei Liuliakov , Luca Hermes , Barbara Hammer

Classifier guidance is a recently introduced method to trade off mode coverage and sample fidelity in conditional diffusion models post training, in the same spirit as low temperature sampling or truncation in other types of generative…

机器学习 · 计算机科学 2022-07-27 Jonathan Ho , Tim Salimans

Accurately modeling multi-class cell topology is crucial in digital pathology, as it provides critical insights into tissue structure and pathology. The synthetic generation of cell topology enables realistic simulations of complex tissue…

图像与视频处理 · 电气工程与系统科学 2025-03-26 Meilong Xu , Saumya Gupta , Xiaoling Hu , Chen Li , Shahira Abousamra , Dimitris Samaras , Prateek Prasanna , Chao Chen

Topological insulators show important properties, such as topological phase transitions and topological edge states. Although these properties and phenomena can be simulated by well-designed circuits, it is undoubtedly difficult to design…

应用物理 · 物理学 2024-07-19 Xi Chen , Jinyang Sun , Xiumei Wang , Maoxin Chen , Qingyuan Lin , Minggang Xia , Xingping Zhou
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