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A graph generative model defines a distribution over graphs. One type of generative model is constructed by autoregressive neural networks, which sequentially add nodes and edges to generate a graph. However, the likelihood of a graph under…

Machine Learning · Statistics 2021-06-15 Xiaohui Chen , Xu Han , Jiajing Hu , Francisco J. R. Ruiz , Liping Liu

Autoregressive models (ARMs) have become the workhorse for sequence generation tasks, since many problems can be modeled as next-token prediction. While there appears to be a natural ordering for text (i.e., left-to-right), for many data…

Machine Learning · Computer Science 2025-07-15 Zhe Wang , Jiaxin Shi , Nicolas Heess , Arthur Gretton , Michalis K. Titsias

In this paper, we propose a novel \emph{uncertainty-aware graph self-training} approach for semi-supervised node classification. Our method introduces an Expectation-Maximization (EM) regularization scheme to incorporate an uncertainty…

Machine Learning · Computer Science 2025-07-31 Emily Wang , Michael Chen , Chao Li

Event temporal graphs have been shown as convenient and effective representations of complex temporal relations between events in text. Recent studies, which employ pre-trained language models to auto-regressively generate linearised graphs…

Computation and Language · Computer Science 2024-04-03 Xingwei Tan , Yuxiang Zhou , Gabriele Pergola , Yulan He

We introduceGraphGPT, a novel self-supervised generative pre-trained model for graph learning based on the Graph Eulerian Transformer (GET). First, we propose GET, which combines a standard transformer encoder or decoder architecture with…

Machine Learning · Computer Science 2025-06-09 Qifang Zhao , Weidong Ren , Tianyu Li , Hong Liu , Xingsheng He , Xiaoxiao Xu

Large language models have evolved to process multiple modalities beyond text, such as images and audio, which motivates us to explore how to effectively leverage them for graph reasoning tasks. The key question, therefore, is how to…

Pre-trained sequence-to-sequence language models have led to widespread success in many natural language generation tasks. However, there has been relatively less work on analyzing their ability to generate structured outputs such as…

Computation and Language · Computer Science 2022-04-12 Swarnadeep Saha , Prateek Yadav , Mohit Bansal

Trapped by the label scarcity in molecular property prediction and drug design, graph contrastive learning (GCL) came forward. Leading contrastive learning works show two kinds of view generators, that is, random or learnable data…

Machine Learning · Computer Science 2025-01-16 Xueyuan Chen , Shangzhe Li , Ruomei Liu , Bowen Shi , Jiaheng Liu , Junran Wu , Ke Xu

Traditionally, graph neural networks have been trained using a single observed graph. However, the observed graph represents only one possible realization. In many applications, the graph may encounter uncertainties, such as having…

Machine Learning · Computer Science 2024-10-10 See Hian Lee , Feng Ji , Kelin Xia , Wee Peng Tay

Autoencoders are effective deep learning models that can function as generative models and learn latent representations for downstream tasks. The use of graph autoencoders - with both encoder and decoder implemented as message passing…

Machine Learning · Computer Science 2025-03-04 Magnus Cunow , Gerrit Großmann

Recent advancements in Large Language Models (LLMs) have significantly improved text generation capabilities, but these systems are still known to hallucinate, and granular uncertainty estimation for long-form LLM generations remains…

Computation and Language · Computer Science 2024-10-29 Mingjian Jiang , Yangjun Ruan , Prasanna Sattigeri , Salim Roukos , Tatsunori Hashimoto

Abstract Meaning Representation (AMR) parsing aims to extract an abstract semantic graph from a given sentence. The sequence-to-sequence approaches, which linearize the semantic graph into a sequence of nodes and edges and generate the…

Computation and Language · Computer Science 2023-10-16 Bofei Gao , Liang Chen , Peiyi Wang , Zhifang Sui , Baobao Chang

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Machine Learning · Computer Science 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

Uncertainty estimation is essential for enhancing the reliability of Large Language Models (LLMs), particularly in high-stakes applications. Existing methods often overlook semantic dependencies, relying on token-level probability measures…

Computation and Language · Computer Science 2025-09-10 Tuo Wang , Adithya Kulkarni , Tyler Cody , Peter A. Beling , Yujun Yan , Dawei Zhou

Reliable confidence estimation is essential for enhancing the trustworthiness of large language models (LLMs), especially in high-stakes scenarios. Despite its importance, accurately estimating confidence in LLM responses remains a…

Computation and Language · Computer Science 2025-05-23 Yukun Li , Sijia Wang , Lifu Huang , Li-Ping Liu

Understanding causal relationships among the variables of a system is paramount to explain and control its behavior. For many real-world systems, however, the true causal graph is not readily available and one must resort to predictions…

Machine Learning · Statistics 2024-12-20 Elias Eulig , Atalanti A. Mastakouri , Patrick Blöbaum , Michaela Hardt , Dominik Janzing

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applications. To address this issue, we propose a new…

Machine Learning · Computer Science 2025-08-26 Lingkai Kong , Haotian Sun , Yuchen Zhuang , Haorui Wang , Wenhao Mu , Chao Zhang

This work addresses one-shot set and graph generation, and, more specifically, the parametrization of probabilistic decoders that map a vector-shaped prior to a distribution over sets or graphs. Sets and graphs are most commonly generated…

Machine Learning · Computer Science 2022-04-04 Clement Vignac , Pascal Frossard

Graph neural networks (GNNs) are commonly described as being permutation equivariant with respect to node relabeling in the graph. This symmetry of GNNs is often compared to the translation equivariance of Euclidean convolution neural…

Machine Learning · Statistics 2023-11-20 Ningyuan Huang , Ron Levie , Soledad Villar

Energy-based models for discrete domains, such as graphs, explicitly capture relative likelihoods, naturally enabling composable probabilistic inference tasks like conditional generation or enforcing constraints at test-time. However,…

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