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Autonomous construction of deep neural network (DNNs) is desired for data streams because it potentially offers two advantages: proper model's capacity and quick reaction to drift and shift. While the self-organizing mechanism of DNNs…

Machine Learning · Computer Science 2020-01-10 Mahardhika Pratama , Choiru Za'in , Andri Ashfahani , Yew Soon Ong , Weiping Ding

Searching for potential active compounds in large databases is a necessary step to reduce time and costs in modern drug discovery pipelines. Such virtual screening methods seek to provide predictions that allow the search space to be…

Biomolecules · Quantitative Biology 2023-05-23 Rafael Mena-Yedra , Juana L. Redondo , Horacio Pérez-Sánchez , Pilar M. Ortigosa

Deep Neural Networks (DNNs) have already become a crucial computational approach to revealing the spatial patterns in the human brain; however, there are three major shortcomings in utilizing DNNs to detect the spatial patterns in…

Machine Learning · Computer Science 2022-05-26 Wei Zhang , Yu Bao

In standard neural networks the amount of computation used grows with the size of the inputs, but not with the complexity of the problem being learnt. To overcome this limitation we introduce PonderNet, a new algorithm that learns to adapt…

Machine Learning · Computer Science 2021-09-03 Andrea Banino , Jan Balaguer , Charles Blundell

Deep neural networks (NNs) are powerful black box predictors that have recently achieved impressive performance on a wide spectrum of tasks. Quantifying predictive uncertainty in NNs is a challenging and yet unsolved problem. Bayesian NNs,…

Machine Learning · Statistics 2017-11-07 Balaji Lakshminarayanan , Alexander Pritzel , Charles Blundell

We introduce NOBLE (Nonlinear lOw-rank Branch for Linear Enhancement), an architectural augmentation that adds nonlinear low-rank branches to transformer linear layers. Unlike LoRA and other parameter-efficient fine-tuning (PEFT) methods,…

Machine Learning · Computer Science 2026-03-09 Ethan Smith

There is growing interest in extending average treatment effect (ATE) estimation to incorporate non-tabular data, such as images and text, which may act as sources of confounding. Neglecting these effects risks biased results and flawed…

Machine Learning · Statistics 2025-10-23 Rickmer Schulte , David Rügamer , Thomas Nagler

In this paper, we extend an available neural network verification technique to support a wider class of piece-wise linear activation functions. Furthermore, we extend the algorithms, which provide in their original form exact respectively…

Machine Learning · Computer Science 2023-11-21 László Antal , Hana Masara , Erika Ábrahám

Rectified Linear Units (ReLUs) are among the most widely used activation function in a broad variety of tasks in vision. Recent theoretical results suggest that despite their excellent practical performance, in various cases, a substitution…

Machine Learning · Computer Science 2020-04-01 Vishnu Suresh Lokhande , Songwong Tasneeyapant , Abhay Venkatesh , Sathya N. Ravi , Vikas Singh

Advances in artificial intelligence (AI) and deep learning have led to neural networks being used to generate lightning-speed answers to complex science questions, paintings in the style of Monet, or stories like those of Twain. Leveraging…

Methodology · Statistics 2026-02-25 Matthew Sainsbury-Dale , Andrew Zammit-Mangion , Noel Cressie , Raphaël Huser

While machine learning offers diverse techniques suitable for exploring various medical research questions, a cohesive synergistic framework can facilitate the integration and understanding of new approaches within unified model development…

Machine Learning · Computer Science 2025-01-09 Ramtin Zargari Marandi , Anne Svane Frahm , Jens Lundgren , Daniel Dawson Murray , Maja Milojevic

This work proposes a novel multi-objective optimization approach that globally finds a representative non-inferior set of solutions, also known as Pareto-optimal solutions, by automatically formulating and solving a sequence of weighted sum…

Optimization and Control · Mathematics 2023-12-11 Marcos M. Raimundo , Paulo A. V. Ferreira , Fernando J. Von Zuben

This work proposes a novel multi-objective optimization approach that globally finds a representative non-inferior set of solutions, also known as Pareto-optimal solutions, by automatically formulating and solving a sequence of weighted sum…

Optimization and Control · Mathematics 2023-12-11 Marcos M. Raimundo , Fernando J. Von Zuben

Adaptiveness is a key principle in information processing including statistics and machine learning. We investigate the usefulness of adaptive methods in the framework of asymptotic binary hypothesis testing, when each hypothesis represents…

Quantum Physics · Physics 2024-03-19 Farzin Salek , Masahito Hayashi , Andreas Winter

This paper describes an extension of the BFGS and L-BFGS methods for the minimization of a nonlinear function subject to errors. This work is motivated by applications that contain computational noise, employ low-precision arithmetic, or…

Optimization and Control · Mathematics 2021-09-10 Hao-Jun Michael Shi , Yuchen Xie , Richard Byrd , Jorge Nocedal

The efficacy of deep neural networks is heavily reliant on the design of non-linear activation functions, yet existing approaches often struggle to balance optimization stability with computational efficiency. While piecewise linear…

Artificial Intelligence · Computer Science 2026-05-05 Wentao Zhang , Yutong Zhang , Yifan Zhu , Wentao Mo

Estimating treatment effects is of great importance for many biomedical applications with observational data. Particularly, interpretability of the treatment effects is preferable for many biomedical researchers. In this paper, we first…

Machine Learning · Statistics 2022-06-28 Kan Chen , Qishuo Yin , Qi Long

Quantized neural networks are well known for reducing the latency, power consumption, and model size without significant harm to the performance. This makes them highly appropriate for systems with limited resources and low power capacity.…

Machine Learning · Computer Science 2024-06-11 Moshe Kimhi , Tal Rozen , Avi Mendelson , Chaim Baskin

In a recent paper we have suggested that the finite temperature density matrix can be computed efficiently by a combination of polynomial expansion and iterative inversion techniques. We present here significant improvements over this…

Materials Science · Physics 2010-10-19 Michele Ceriotti , Thomas D. Kühne , Michele Parrinello

Neural network quantization aims to reduce the bit-widths of weights and activations, making it a critical technique for deploying deep neural networks on resource-constrained hardware. Most Quantization-Aware Training (QAT) methods rely on…

Machine Learning · Computer Science 2025-09-03 Kaiqi Zhao