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Probabilistic graphical models are traditionally known for their successes in generative modeling. In this work, we advocate layered graphical models (LGMs) for probabilistic discriminative learning. To this end, we design LGMs in close…

Machine Learning · Computer Science 2019-02-04 Yuesong Shen , Tao Wu , Csaba Domokos , Daniel Cremers

Deep Gaussian Processes (DGPs) combine the expressiveness of Deep Neural Networks (DNNs) with quantified uncertainty of Gaussian Processes (GPs). Expressive power and intractable inference both result from the non-Gaussian distribution over…

Machine Learning · Computer Science 2020-02-26 Chi-Ken Lu , Scott Cheng-Hsin Yang , Xiaoran Hao , Patrick Shafto

We introduce factorize sum split product networks (FSPNs), a new class of probabilistic graphical models (PGMs). FSPNs are designed to overcome the drawbacks of existing PGMs in terms of estimation accuracy and inference efficiency.…

Artificial Intelligence · Computer Science 2020-11-23 Ziniu Wu , Rong Zhu , Andreas Pfadler , Yuxing Han , Jiangneng Li , Zhengping Qian , Kai Zeng , Jingren Zhou

Graphs are a powerful data structure for representing relational data and are widely used to describe complex real-world systems. Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs) can both leverage graph-structured…

Machine Learning · Statistics 2025-08-26 Michela Lapenna , Caterina De Bacco

In recent years, we have witnessed a surge of Graph Neural Networks (GNNs), most of which can learn powerful representations in an end-to-end fashion with great success in many real-world applications. They have resemblance to Probabilistic…

Machine Learning · Computer Science 2023-08-03 Zhen Zhang , Mohammed Haroon Dupty , Fan Wu , Javen Qinfeng Shi , Wee Sun Lee

We introduce Graph-Induced Sum-Product Networks (GSPNs), a new probabilistic framework for graph representation learning that can tractably answer probabilistic queries. Inspired by the computational trees induced by vertices in the context…

Machine Learning · Computer Science 2024-02-19 Federico Errica , Mathias Niepert

Deep Gaussian processes (DGPs) are multi-layer hierarchical generalisations of Gaussian processes (GPs) and are formally equivalent to neural networks with multiple, infinitely wide hidden layers. DGPs are nonparametric probabilistic models…

In an ever expanding set of research and application areas, deep neural networks (DNNs) set the bar for algorithm performance. However, depending upon additional constraints such as processing power and execution time limits, or…

Machine Learning · Computer Science 2021-06-22 Nathan Dahlin , Krishna Chaitanya Kalagarla , Nikhil Naik , Rahul Jain , Pierluigi Nuzzo

Learning, taking into account full distribution of the data, referred to as generative, is not feasible with deep neural networks (DNNs) because they model only the conditional distribution of the outputs given the inputs. Current solutions…

Machine Learning · Computer Science 2017-09-26 Boris Flach , Alexander Shekhovtsov , Ondrej Fikar

Deep neural networks (DNNs) and decision trees (DTs) are both state-of-the-art classifiers. DNNs perform well due to their representational learning capabilities, while DTs are computationally efficient as they perform inference along one…

Computer Vision and Pattern Recognition · Computer Science 2022-11-22 Noam Gottlieb , Michael Werman

We propose a learning paradigm for numerical approximation of differential invariants of planar curves. Deep neural-networks' (DNNs) universal approximation properties are utilized to estimate geometric measures. The proposed framework is…

Computer Vision and Pattern Recognition · Computer Science 2022-02-15 Roy Velich , Ron Kimmel

We propose the fully explainable Decision Tree Graph Neural Network (DT+GNN) architecture. In contrast to existing black-box GNNs and post-hoc explanation methods, the reasoning of DT+GNN can be inspected at every step. To achieve this, we…

Machine Learning · Computer Science 2022-05-27 Peter Müller , Lukas Faber , Karolis Martinkus , Roger Wattenhofer

Deep Neural Networks (DNNs) are universal function approximators providing state-of- the-art solutions on wide range of applications. Common perceptual tasks such as speech recognition, image classification, and object tracking are now…

Machine Learning · Statistics 2017-11-08 Randall Balestriero , Richard Baraniuk

We propose a learning paradigm for the numerical approximation of differential invariants of planar curves. Deep neural-networks' (DNNs) universal approximation properties are utilized to estimate geometric measures. The proposed framework…

Computer Vision and Pattern Recognition · Computer Science 2023-03-08 Roy Velich , Ron Kimmel

In this paper, we leverage a recent deep kernel representer theorem to connect kernel based learning and (deep) neural networks in order to understand their interplay. In particular, we show that the use of special types of kernels yields…

Machine Learning · Computer Science 2025-09-19 Tizian Wenzel , Gabriele Santin , Bernard Haasdonk

Graph neural networks (GNNs) have been widely used to predict properties and heuristics of mixed-integer linear programs (MILPs) and hence accelerate MILP solvers. This paper investigates the capacity of GNNs to represent strong branching…

Machine Learning · Computer Science 2025-01-09 Ziang Chen , Jialin Liu , Xiaohan Chen , Xinshang Wang , Wotao Yin

Probabilistic Graphical Models are often used to understand dynamics of a system. They can model relationships between features (nodes) and the underlying distribution. Theoretically these models can represent very complex dependency…

Machine Learning · Computer Science 2023-08-21 Harsh Shrivastava , Urszula Chajewska

Despite exceptional predictive performance of Deep sequence models (DSMs), the main concern of their deployment centers around the lack of uncertainty awareness. In contrast, probabilistic models quantify the uncertainty associated with…

Machine Learning · Computer Science 2026-03-03 Wenlong Chen

Effectively predicting molecular interactions has the potential to accelerate molecular dynamics by multiple orders of magnitude and thus revolutionize chemical simulations. Graph neural networks (GNNs) have recently shown great successes…

Computational Physics · Physics 2024-06-25 Johannes Gasteiger , Florian Becker , Stephan Günnemann

The last decade has witnessed a boom of deep learning research and applications achieving state-of-the-art results in various domains. However, most advances have been established empirically, and their theoretical analysis remains lacking.…

Machine Learning · Computer Science 2020-10-07 Yuesong Shen , Daniel Cremers