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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…

计算机视觉与模式识别 · 计算机科学 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…

计算物理 · 物理学 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…

计量经济学 · 经济学 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…

机器学习 · 统计学 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…

计算物理 · 物理学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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)…

机器学习 · 计算机科学 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…

统计计算 · 统计学 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…

生物大分子 · 定量生物学 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…

声音 · 计算机科学 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…

人工智能 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 统计学 2021-12-17 Sujay Thakur , Cooper Lorsung , Yaniv Yacoby , Finale Doshi-Velez , Weiwei Pan