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Standard Bayesian Optimization (BO) assumes uniform smoothness across the search space an assumption violated in multi-regime problems such as molecular conformation search through distinct energy basins or drug discovery across…

Machine Learning · Computer Science 2026-01-29 Yan Zhang , Xuefeng Liu , Sipeng Chen , Sascha Ranftl , Chong Liu , Shibo Li

Recently, Neural Ordinary Differential Equations has emerged as a powerful framework for modeling physical simulations without explicitly defining the ODEs governing the system, but instead learning them via machine learning. However, the…

Though traditional algorithms could be embedded into neural architectures with the proposed principle of \cite{xiao2017hungarian}, the variables that only occur in the condition of branch could not be updated as a special case. To tackle…

Neural and Evolutionary Computing · Computer Science 2017-12-19 Han Xiao

Regression models are used for inference and prediction in a wide range of applications providing a powerful scientific tool for researchers and analysts from different fields. In many research fields the amount of available data as well as…

Methodology · Statistics 2018-06-08 Aliaksandr Hubin , Geir Storvik , Florian Frommlet

Many complex dynamical phenomena can be effectively modeled by a system that switches among a set of conditionally linear dynamical modes. We consider two such models: the switching linear dynamical system (SLDS) and the switching vector…

Methodology · Statistics 2015-05-18 Emily B. Fox , Erik B. Sudderth , Michael I. Jordan , Alan S. Willsky

Inferring the mechanisms underlying physiological and pathological processes in the brain from recorded electrical activity is challenging. Bayesian model selection and dynamic causal modelling aim to identify likely biophysical models to…

Neurons and Cognition · Quantitative Biology 2023-06-29 Matthew G. Thomas

We propose a probabilistic framework for modelling and exploring the latent structure of relational data. Given feature information for the nodes in a network, the scalable deep generative relational model (SDREM) builds a deep network…

Machine Learning · Statistics 2019-11-06 Xuhui Fan , Bin Li , Scott Anthony Sisson , Caoyuan Li , Ling Chen

Ensembling a neural network is a widely recognized approach to enhance model performance, estimate uncertainty, and improve robustness in deep supervised learning. However, deep ensembles often come with high computational costs and memory…

Drawing inspiration from our human brain that designs different neurons for different tasks, recent advances in deep learning have explored modifying a network's neurons to develop so-called task-driven neurons. Prototyping task-driven…

Machine Learning · Computer Science 2026-02-17 Hanyu Pei , Jing-Xiao Liao , Qibin Zhao , Ting Gao , Shijun Zhang , Xiaoge Zhang , Feng-Lei Fan

We propose Radial Bayesian Neural Networks (BNNs): a variational approximate posterior for BNNs which scales well to large models while maintaining a distribution over weight-space with full support. Other scalable Bayesian deep learning…

Machine Learning · Statistics 2021-06-01 Sebastian Farquhar , Michael Osborne , Yarin Gal

Graph neural networks (GNNs) excel at predictive tasks on graph-structured data but often lack the ability to incorporate symbolic domain knowledge and perform general reasoning. Relational Bayesian Networks (RBNs), in contrast, enable…

Artificial Intelligence · Computer Science 2025-07-30 Raffaele Pojer , Andrea Passerini , Kim G. Larsen , Manfred Jaeger

Ensembles of neural networks achieve superior performance compared to stand-alone networks in terms of accuracy, uncertainty calibration and robustness to dataset shift. \emph{Deep ensembles}, a state-of-the-art method for uncertainty…

Machine Learning · Computer Science 2022-02-23 Sheheryar Zaidi , Arber Zela , Thomas Elsken , Chris Holmes , Frank Hutter , Yee Whye Teh

Combining Gaussian processes with the expressive power of deep neural networks is commonly done nowadays through deep kernel learning (DKL). Unfortunately, due to the kernel optimization process, this often results in losing their Bayesian…

Machine Learning · Computer Science 2023-05-16 Idan Achituve , Gal Chechik , Ethan Fetaya

Artificial neural networks (NNs) have become the de facto standard in machine learning. They allow learning highly nonlinear transformations in a plethora of applications. However, NNs usually only provide point estimates without…

Machine Learning · Statistics 2020-09-11 Marco F. Huber

Deep learning (DL) based language models achieve high performance on various benchmarks for Natural Language Inference (NLI). And at this time, symbolic approaches to NLI are receiving less attention. Both approaches (symbolic and DL) have…

Computation and Language · Computer Science 2021-06-11 Zeming Chen , Qiyue Gao , Lawrence S. Moss

Recursive self-improvement--where a model iteratively trains on its own outputs--promises sustained capability growth but faces a fundamental obstacle: recursive drift. As models train on self-generated data across multiple iterations,…

Artificial Intelligence · Computer Science 2026-03-24 Xinyu Zhang

Despite deep learning (DL) has achieved remarkable progress in various domains, the DL models are still prone to making mistakes. This issue necessitates effective debugging tools for DL practitioners to interpret the decision-making…

Computer Vision and Pattern Recognition · Computer Science 2023-10-18 Yeong-Joon Ju , Ji-Hoon Park , Seong-Whan Lee

Deep Neural Network (DNN) acoustic models often use discriminative sequence training that optimises an objective function that better approximates the word error rate (WER) than frame-based training. Sequence training is normally…

Computation and Language · Computer Science 2018-04-09 Adnan Haider , Philip C. Woodland

As a representative continuous-depth neural network approach, stochastic differential equation (SDE)-based Bayesian neural networks (BNNs) have attracted considerable attention due to their solid theoretical foundations and strong potential…

Machine Learning · Statistics 2026-03-27 Chenxu Yu , Wenqi Fang

Neural networks have achieved remarkable performance across various problem domains, but their widespread applicability is hindered by inherent limitations such as overconfidence in predictions, lack of interpretability, and vulnerability…

Machine Learning · Statistics 2023-09-29 Julyan Arbel , Konstantinos Pitas , Mariia Vladimirova , Vincent Fortuin