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We introduce a Gaussian Prototype Layer for gradient-based prototype learning and demonstrate two novel network architectures for explainable segmentation one of which relies on region proposals. Both models are evaluated on agricultural…

Computer Vision and Pattern Recognition · Computer Science 2023-06-27 Michael Gerstenberger , Steffen Maaß , Peter Eisert , Sebastian Bosse

The quest for efficient and robust deep learning models for molecular systems representation is increasingly critical in scientific exploration. The advent of message passing neural networks has marked a transformative era in graph-based…

Computational Physics · Physics 2026-01-05 Jian Chang , Shuze Zhu

Deep neural networks (DNNs) have revolutionized the field of artificial intelligence and have achieved unprecedented success in cognitive tasks such as image and speech recognition. Training of large DNNs, however, is computationally…

This paper introduces a framework for capturing stochasticity of choice probabilities in neural networks, derived from and fully consistent with the Random Utility Maximization (RUM) theory, referred to as RUM-NN. Neural network models show…

Econometrics · Economics 2025-01-10 Niousha Bagheri , Milad Ghasri , Michael Barlow

Gaussian graphical models (GGMs) are widely used for statistical modeling, because of ease of inference and the ubiquitous use of the normal distribution in practical approximations. However, they are also known for their limited modeling…

Machine Learning · Statistics 2016-11-22 Qinliang Su , Xuejun Liao , Chunyuan Li , Zhe Gan , Lawrence Carin

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

This work introduces a novel probabilistic deep learning technique called deep Gaussian mixture ensembles (DGMEs), which enables accurate quantification of both epistemic and aleatoric uncertainty. By assuming the data generating process…

Machine Learning · Statistics 2023-06-13 Yousef El-Laham , Niccolò Dalmasso , Elizabeth Fons , Svitlana Vyetrenko

We propose the Gaussian Gated Linear Network (G-GLN), an extension to the recently proposed GLN family of deep neural networks. Instead of using backpropagation to learn features, GLNs have a distributed and local credit assignment…

Machine Learning · Computer Science 2020-10-22 David Budden , Adam Marblestone , Eren Sezener , Tor Lattimore , Greg Wayne , Joel Veness

We propose a simple method that combines neural networks and Gaussian processes. The proposed method can estimate the uncertainty of outputs and flexibly adjust target functions where training data exist, which are advantages of Gaussian…

Machine Learning · Statistics 2017-07-20 Tomoharu Iwata , Zoubin Ghahramani

Spatiotemporal prediction plays a critical role in numerous real-world applications such as urban planning, transportation optimization, disaster response, and pandemic control. In recent years, researchers have made significant progress by…

Machine Learning · Computer Science 2025-09-03 Dahai Yu , Dingyi Zhuang , Lin Jiang , Rongchao Xu , Xinyue Ye , Yuheng Bu , Shenhao Wang , Guang Wang

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 learning models often struggle to maintain generalizability in medical imaging, particularly under domain-fracture scenarios where distribution shifts arise from varying imaging techniques, acquisition protocols, patient populations,…

Machine Learning · Computer Science 2025-08-15 Furkan Pala , Islem Rekik

Deep neural networks (DNNs) lack the precise semantics and definitive probabilistic interpretation of probabilistic graphical models (PGMs). In this paper, we propose an innovative solution by constructing infinite tree-structured PGMs that…

Machine Learning · Statistics 2025-03-25 Boyao Li , Alexander J. Thomson , Houssam Nassif , Matthew M. Engelhard , David Page

Recently, fine-tuning large-scale pre-trained GNNs has yielded remarkable attention in adapting pre-trained GNN models for downstream graph learning tasks. One representative fine-tuning method is to exploit adapter (termed AdapterGNN)…

Machine Learning · Computer Science 2025-11-25 Bo Jiang , Weijun Zhao , Beibei Wang , Xiao Wang , Jin Tang

This paper investigates two prominent probabilistic neural modeling paradigms: Bayesian Neural Networks (BNNs) and Mixture Density Networks (MDNs) for uncertainty-aware nonlinear regression. While BNNs incorporate epistemic uncertainty by…

Computation · Statistics 2025-10-30 Riddhi Pratim Ghosh , Ian Barnett

The recurrent geometric network (RGN), the first end-to-end differentiable neural architecture for protein structure prediction, is a competitive alternative to existing models. However, the RGN's use of recurrent neural networks (RNNs) as…

Biomolecules · Quantitative Biology 2019-08-05 Jin Li

This research is an effort to present an effective approach to enhance text-independent speaker identification performance in emotional talking environments based on novel classifier called cascaded Gaussian Mixture Model-Deep Neural…

Sound · Computer Science 2018-10-12 Ismail Shahin , Ali Bou Nassif , Shibani Hamsa

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Artificial Intelligence · Computer Science 2023-01-31 Chenqing Hua , Sitao Luan , Qian Zhang , Jie Fu

Recently, a Gaussian Process Regression - neural network (GPRNN) hybrid machine learning method was proposed, which is based on additive-kernel GPR in redundant coordinates constructed by rules [J. Phys. Chem. A 127 (2023) 7823]. The method…

Machine Learning · Statistics 2025-12-29 Sergei Manzhos , Manabu Ihara

Neural Linear Models (NLM) are deep Bayesian models that produce predictive uncertainties by learning features from the data and then performing Bayesian linear regression over these features. Despite their popularity, few works have…

Machine Learning · Statistics 2021-12-17 Sujay Thakur , Cooper Lorsung , Yaniv Yacoby , Finale Doshi-Velez , Weiwei Pan