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Toxicity prediction of chemical compounds is a grand challenge. Lately, it achieved significant progress in accuracy but using a huge set of features, implementing a complex blackbox technique such as a deep neural network, and exploiting…

Machine Learning · Computer Science 2019-01-29 Abdul Karim , Avinash Mishra , M A Hakim Newton , Abdul Sattar

Deep learning models for survival analysis have gained significant attention in the literature, but they suffer from severe performance deficits when the dataset contains many irrelevant features. We give empirical evidence for this problem…

Machine Learning · Computer Science 2019-03-08 Carl Rietschel , Jinsung Yoon , Mihaela van der Schaar

Thermostability is an important prerequisite for enzymes employed for industrial applications. Several machine learning based models have thus been formulated for protein classification based on this particular trait. These models have…

Quantitative Methods · Quantitative Biology 2021-03-08 Jithin S. Sunny , Lilly M. Saleena

Different features have different relevance to a particular learning problem. Some features are less relevant; while some very important. Instead of selecting the most relevant features using feature selection, an algorithm can be given…

Machine Learning · Computer Science 2011-01-26 Ridwan Al Iqbal

Understanding the reasons behind the exceptional success of transformers requires a better analysis of why attention layers are suitable for NLP tasks. In particular, such tasks require predictive models to capture contextual meaning which…

Machine Learning · Statistics 2024-05-20 Simone Bombari , Marco Mondelli

This paper is aiming to apply neural network algorithm for predicting the process response (NOx emissions) from degrading natural gas turbines. Nine different process variables, or predictors, are considered in the predictive modelling. It…

Machine Learning · Computer Science 2022-09-20 Zhenkun Zheng , Alan Rezazadeh

The parameterization of simulation-based models is a central yet laborious task in computational chemistry and physics, often driven by human intuition and manual iteration. Automating this task necessitates the definition of suitable…

The dramatic increase in consumption of ultra-processed food has been associated with numerous adverse health effects. Given the public health consequences linked to ultra-processed food consumption, it is highly relevant to build…

Biomolecules · Quantitative Biology 2025-06-24 Nalin Arora , Sumit Bhagat , Riya Dhama , Ganesh Bagler

Deep neural networks (DNNs) offer significant flexibility and robust performance. This makes them ideal for building not only system models but also advanced neural network controllers (NNCs). However, their high complexity and…

Machine Learning · Computer Science 2025-11-14 Ganesh Sundaram , Jonas Ulmen , Amjad Haider , Daniel Görges

There currently exist no quantitative methods to determine the appropriate conditions for solid-state synthesis. This not only hinders the experimental realization of novel materials but also complicates the interpretation and understanding…

Model-based solutions for nitrous oxide (N2O) emissions from wastewater treatment plants (WWTP) are informed by operational datasets designed to control nutrient levels in liquid waste, coupled with dedicated campaigns for N2O measurements.…

Machine Learning · Computer Science 2026-05-07 Mohammad Raeisi Gahrouei , Pedram Ramin , Vincenzo A. Riggio , Carlos Domingo-Felez

Quantifying the usefulness of individual features in random forests learning can greatly enhance its interpretability. Existing studies have shown that some popularly used feature importance measures for random forests suffer from the bias…

Machine Learning · Statistics 2023-11-14 Chien-Ming Chi , Yingying Fan , Jinchi Lv

Feature selection is an important process in machine learning. It builds an interpretable and robust model by selecting the features that contribute the most to the prediction target. However, most mature feature selection algorithms,…

Machine Learning · Computer Science 2022-07-20 Zhifeng Qiu , Wanxin Zeng , Dahua Liao , Ning Gui

Reliable estimation of feature contributions in machine learning models is essential for trust, transparency and regulatory compliance, especially when models are proprietary or otherwise operate as black boxes. While permutation-based…

Machine Learning · Statistics 2025-12-24 Albert Dorador

This paper introduces a novel framework for optimizing observer-based soft sensors through dynamic causality analysis. Traditional approaches to sensor selection often rely on linearized observability indices or statistical correlations…

Artificial Intelligence · Computer Science 2025-09-16 William Farlessyost , Sebastian Oberst , Shweta Singh

In deep learning-based classification tasks, the softmax function's temperature parameter $T$ critically influences the output distribution and overall performance. This study presents a novel theoretical insight that the optimal…

Machine Learning · Computer Science 2026-04-24 Tatsuhito Hasegawa , Shunsuke Sakai

Importance weighting is a fundamental procedure in statistics and machine learning that weights the objective function or probability distribution based on the importance of the instance in some sense. The simplicity and usefulness of the…

Machine Learning · Computer Science 2024-05-15 Masanari Kimura , Hideitsu Hino

In this research, we develop machine learning models to predict future sensor readings of a waste-to-fuel plant, which would enable proactive control of the plant's operations. We developed models that predict sensor readings for 30 and 60…

Artificial Intelligence · Computer Science 2022-09-29 Bor Brecelj , Beno Šircelj , Jože M. Rožanec , Blaž Fortuna , Dunja Mladenić

In clinical applications, neural networks must focus on and highlight the most important parts of an input image. Soft-Attention mechanism enables a neural network toachieve this goal. This paper investigates the effectiveness of…

Image and Video Processing · Electrical Eng. & Systems 2021-06-08 Soumyya Kanti Datta , Mohammad Abuzar Shaikh , Sargur N. Srihari , Mingchen Gao

The goal of filter pruning is to search for unimportant filters to remove in order to make convolutional neural networks (CNNs) efficient without sacrificing the performance in the process. The challenge lies in finding information that can…

Computer Vision and Pattern Recognition · Computer Science 2022-04-26 Junghun Oh , Heewon Kim , Sungyong Baik , Cheeun Hong , Kyoung Mu Lee
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