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Generating molecular structures with desired properties is a critical task with broad applications in drug discovery and materials design. We propose 3M-Diffusion, a novel multi-modal molecular graph generation method, to generate diverse,…

Machine Learning · Computer Science 2024-10-04 Huaisheng Zhu , Teng Xiao , Vasant G Honavar

Diffusion models offer stable training and state-of-the-art performance for deep generative modeling tasks. Here, we consider their use in the context of multivariate subsurface modeling and probabilistic inversion. We first demonstrate…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Roberto Miele , Niklas Linde

Real-world multimodal knowledge graphs (MMKGs) are dynamic, with new entities, relations, and multimodal knowledge emerging over time. Existing continual knowledge graph reasoning (CKGR) methods focus on structural triples and cannot fully…

Computation and Language · Computer Science 2026-04-06 Linyu Li , Zhi Jin , Yichi Zhang , Dongming Jin , Yuanpeng He , Haoran Duan , Gadeng Luosang , Nyima Tashi

Multi-modal Knowledge Graph Completion (MMKGC) aims to uncover hidden world knowledge in multimodal knowledge graphs by leveraging both multimodal and structural entity information. However, the inherent imbalance in multimodal knowledge…

Artificial Intelligence · Computer Science 2025-07-29 Lijian Li

Graph-based Retrieval-Augmented Generation (RAG) systems leverage interconnected knowledge structures to capture complex relationships that flat retrieval struggles with, enabling multi-hop reasoning. Yet most existing graph-based methods…

Optimization is crucial for MEC networks to function efficiently and reliably, most of which are NP-hard and lack efficient approximation algorithms. This leads to a paucity of optimal solution, constraining the effectiveness of…

Networking and Internet Architecture · Computer Science 2025-05-06 Ruihuai Liang , Bo Yang , Pengyu Chen , Xuelin Cao , Zhiwen Yu , Mérouane Debbah , Dusit Niyato , H. Vincent Poor , Chau Yuen

Multimodal knowledge graph completion (MMKGC) aims to predict missing links in multimodal knowledge graphs (MMKGs) by leveraging information from various modalities alongside structural data. Existing MMKGC approaches primarily extend…

Computation and Language · Computer Science 2025-09-16 Haodi Ma , Dzmitry Kasinets , Daisy Zhe Wang

This study introduces a generative imputation model leveraging graph attention networks and tabular diffusion models for completing missing parametric data in engineering designs. This model functions as an AI design co-pilot, providing…

Machine Learning · Computer Science 2024-06-19 Rui Zhou , Chenyang Yuan , Frank Permenter , Yanxia Zhang , Nikos Arechiga , Matt Klenk , Faez Ahmed

Inferring contextually-relevant and diverse commonsense to understand narratives remains challenging for knowledge models. In this work, we develop a series of knowledge models, DiffuCOMET, that leverage diffusion to learn to reconstruct…

Computation and Language · Computer Science 2024-10-02 Silin Gao , Mete Ismayilzada , Mengjie Zhao , Hiromi Wakaki , Yuki Mitsufuji , Antoine Bosselut

Diffusion models have made significant strides in language-driven and layout-driven image generation. However, most diffusion models are limited to visible RGB image generation. In fact, human perception of the world is enriched by diverse…

Computer Vision and Pattern Recognition · Computer Science 2024-10-22 Zeyu Wang , Jingyu Lin , Yifei Qian , Yi Huang , Shicen Tian , Bosong Chai , Juncan Deng , Qu Yang , Lan Du , Cunjian Chen , Kejie Huang

Handling heterogeneous data in tabular datasets poses a significant challenge for deep learning models. While attention-based architectures and self-supervised learning have achieved notable success, their application to tabular data…

Machine Learning · Computer Science 2025-02-27 Anay Majee , Maria Xenochristou , Wei-Peng Chen

Information diffusion prediction is a fundamental task for understanding the information propagation process. It has wide applications in such as misinformation spreading prediction and malicious account detection. Previous works either…

Social and Information Networks · Computer Science 2020-06-11 Chunyuan Yuan , Jiacheng Li , Wei Zhou , Yijun Lu , Xiaodan Zhang , Songlin Hu

Most existing cross-modal generative methods based on diffusion models use guidance to provide control over the latent space to enable conditional generation across different modalities. Such methods focus on providing guidance through…

Machine Learning · Computer Science 2023-05-31 Zizhao Hu , Mohammad Rostami

The capability of generalization is a cornerstone for the success of modern learning systems. For non-Euclidean data, e.g., graphs, that particularly involves topological structures, one important aspect neglected by prior studies is how…

Machine Learning · Computer Science 2025-06-24 Qitian Wu , Chenxiao Yang , Kaipeng Zeng , Michael Bronstein

Recent advances in generative modeling with diffusion processes (DPs) enabled breakthroughs in image synthesis. Despite impressive image quality, these models have various prompt compliance problems, including low recall in generating…

Computer Vision and Pattern Recognition · Computer Science 2024-10-30 Deepak Sridhar , Abhishek Peri , Rohith Rachala , Nuno Vasconcelos

Diffusion models are powerful generative models that map noise to data using stochastic processes. However, for many applications such as image editing, the model input comes from a distribution that is not random noise. As such, diffusion…

Computer Vision and Pattern Recognition · Computer Science 2023-12-06 Linqi Zhou , Aaron Lou , Samar Khanna , Stefano Ermon

Recent advances in multimodal large language models (MLLMs) have enabled image-based question-answering capabilities. However, a key limitation is the use of CLIP as the visual encoder; while it can capture coarse global information, it…

Computer Vision and Pattern Recognition · Computer Science 2025-07-10 Vatsal Agarwal , Matthew Gwilliam , Gefen Kohavi , Eshan Verma , Daniel Ulbricht , Abhinav Shrivastava

Diffusion Generative Models (DGM) have rapidly surfaced as emerging topics in the field of computer vision, garnering significant interest across a wide array of deep learning applications. Despite their high computational demand, these…

Image and Video Processing · Electrical Eng. & Systems 2024-11-26 Denisha Thakkar , Vincent Quoc-Huy Trinh , Sonal Varma , Samira Ebrahimi Kahou , Hassan Rivaz , Mahdi S. Hosseini

Graph neural networks (GNNs), especially dynamic GNNs, have become a research hotspot in spatio-temporal forecasting problems. While many dynamic graph construction methods have been developed, relatively few of them explore the causal…

Machine Learning · Computer Science 2023-05-18 Guojun Liang , Prayag Tiwari , Sławomir Nowaczyk , Stefan Byttner , Fernando Alonso-Fernandez

Recent advances in CV and NLP have inspired researchers to develop general-purpose graph foundation models through pre-training across diverse domains. However, a fundamental challenge arises from the substantial differences in graph…

Social and Information Networks · Computer Science 2025-06-02 Shuo Wang , Bokui Wang , Zhixiang Shen , Boyan Deng , Zhao Kang
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