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Advances in deep neural network (DNN) based molecular property prediction have recently led to the development of models of remarkable accuracy and generalization ability, with graph convolution neural networks (GCNNs) reporting…

Machine Learning · Computer Science 2019-10-09 Gabriele Scalia , Colin A. Grambow , Barbara Pernici , Yi-Pei Li , William H. Green

Complex events originate from other primitive events combined according to defined patterns and rules. Instead of using specialists' manual work to compose the model rules, we use machine learning (ML) to self-define these patterns and…

Machine Learning · Computer Science 2024-11-05 Maria J. P. Peixoto , Akramul Azim

Gaussian processes allow for flexible specification of prior assumptions of unknown dynamics in state space models. We present a procedure for efficient Bayesian learning in Gaussian process state space models, where the representation is…

Computation · Statistics 2016-04-18 Andreas Svensson , Arno Solin , Simo Särkkä , Thomas B. Schön

The inaccuracy of neural network models on inputs that do not stem from the training data distribution is both problematic and at times unrecognized. Model uncertainty estimation can address this issue, where uncertainty estimates are often…

Machine Learning · Computer Science 2020-02-14 Siddhartha Jain , Ge Liu , Jonas Mueller , David Gifford

Deploying deep learning models in safety-critical applications remains a very challenging task, mandating the provision of assurances for the dependable operation of these models. Uncertainty quantification (UQ) methods estimate the model's…

Machine Learning · Computer Science 2024-01-23 Daniel Bethell , Simos Gerasimou , Radu Calinescu

Generalized low-density parity-check (GLDPC) codes, where single parity-check constraints on the code bits are replaced with generalized constraints (an arbitrary linear code), are a promising class of codes for low-latency communication.…

Information Theory · Computer Science 2025-08-12 Roxana Smarandache , David G. M. Mitchell , Anthony Gómez-Fonseca

Predicting chaotic dynamical systems is critical in many scientific fields, such as weather forecasting, but challenging due to the characteristic sensitive dependence on initial conditions. Traditional modeling approaches require extensive…

Machine Learning · Computer Science 2025-03-12 Christof Schötz , Alistair White , Maximilian Gelbrecht , Niklas Boers

Cycle-level simulators such as gem5 are widely used in microarchitecture design, but they are prohibitively slow for large-scale design space explorations. We present Concorde, a new methodology for learning fast and accurate performance…

A robust adaptive model predictive control (MPC) algorithm is presented for linear, time invariant systems with unknown dynamics and subject to bounded measurement noise. The system is characterized by an impulse response model, which is…

Systems and Control · Electrical Eng. & Systems 2019-11-21 Anilkumar Parsi , Andrea Iannelli , Mingzhou Yin , Mohammad Khosravi , Roy S. Smith

Polynomial based approaches, such as the Mat-Dot and entangled polynomial codes (EPC) have been used extensively within coded matrix computations to obtain schemes with good recovery thresholds. However, these schemes are well-recognized to…

Information Theory · Computer Science 2023-05-11 Kyungrak Son , Aditya Ramamoorthy

This paper proposes a stabilising model predictive control (MPC) scheme with preview information of disturbance for nonlinear systems. The proposed MPC algorithm is able to not only reject disturbance by making use of disturbance preview…

Systems and Control · Electrical Eng. & Systems 2022-02-28 Xing Fang , Wen-Hua Chen

Data structures that allow efficient distance estimation (distance oracles, distance sketches, etc.) have been extensively studied, and are particularly well studied in centralized models and classical distributed models such as CONGEST. We…

Data Structures and Algorithms · Computer Science 2019-09-13 Michael Dinitz , Yasamin Nazari

Model predictive control (MPC) is a de facto standard control algorithm across the process industries. There remain, however, applications where MPC is impractical because an optimization problem is solved at each time step. We present a…

Optimization and Control · Mathematics 2019-07-10 Robert J. Lovelett , Felix Dietrich , Seungjoon Lee , Ioannis G. Kevrekidis

We consider a multiphysics system with multiple component models coupled together through network coupling interfaces, i.e., a handful of scalars. If each component model contains uncertainties represented by a set of parameters, a…

Numerical Analysis · Mathematics 2014-07-28 Paul G. Constantine , Eric T. Phipps , Timothy M. Wildey

As the amount and complexity of available data increases, the need for robust statistical learning becomes more pressing. To enhance resilience against model misspecification, the generalized posterior inference method adjusts the…

Computation · Statistics 2024-09-04 Masahiro Tanaka

In this study, we address the challenge of constructing continuous three-dimensional (3D) models that accurately represent uncertain surfaces, derived from noisy and incomplete LiDAR scanning data. Building upon our prior work, which…

Robotics · Computer Science 2024-10-27 Qianqian Zou , Monika Sester

This paper introduces a new approach to quantify the impact of forward propagated demand and weather uncertainty on power system planning and operation models. Recent studies indicate that such sampling uncertainty, originating from demand…

Applications · Statistics 2020-11-17 Adriaan P Hilbers , David J Brayshaw , Axel Gandy

Markov Chain Monte Carlo (MCMC) and Belief Propagation (BP) are the most popular algorithms for computational inference in Graphical Models (GM). In principle, MCMC is an exact probabilistic method which, however, often suffers from…

Machine Learning · Statistics 2020-05-12 Sungsoo Ahn , Michael Chertkov , Jinwoo Shin

Developing machine learning enabled smart manufacturing is promising for composite structures assembly process. To improve production quality and efficiency of the assembly process, accurate predictive analysis on dimensional deviations and…

Machine Learning · Statistics 2020-11-24 Cheolhei Lee , Jianguo Wu , Wenjia Wang , Xiaowei Yue

Despite the success of model predictive control (MPC), its application to high-dimensional systems, such as flexible structures and coupled fluid/rigid-body systems, remains a largely open challenge due to excessive computational…

Systems and Control · Computer Science 2019-05-03 Joseph Lorenzetti , Benoit Landry , Sumeet Singh , Marco Pavone
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