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Ensembling BERT models often significantly improves accuracy, but at the cost of significantly more computation and memory footprint. In this work, we propose Multi-CLS BERT, a novel ensembling method for CLS-based prediction tasks that is…
Deep neural networks have achieved substantial achievements in several computer vision areas, but have vulnerabilities that are often fooled by adversarial examples that are not recognized by humans. This is an important issue for security…
Named Entity Recognition (NER) is a fundamental Natural Language Processing (NLP) task to extract entities from unstructured data. The previous methods for NER were based on machine learning or deep learning. Recently, pre-training models…
Predicting the chemical properties of compounds is crucial in discovering novel materials and drugs with specific desired characteristics. Recent significant advances in machine learning technologies have enabled automatic predictive…
In this work, we propose an ensemble forecasting approach based on randomized neural networks. Improved randomized learning streamlines the fitting abilities of individual learners by generating network parameters in accordance with the…
Software testing is one of the important ways to ensure the quality of software. It is found that testing cost more than 50% of overall project cost. Effective and efficient software testing utilizes the minimum resources of software.…
Molecular property prediction is essential in a variety of contemporary scientific fields, such as drug development and designing energy storage materials. Although there are many machine learning models available for this purpose, those…
Ensemble methods in machine learning aim to improve prediction accuracy by combining multiple models. This is achieved by ensuring diversity among predictors to capture different data aspects. Homogeneous ensembles use identical models,…
Accurate time series forecasting is critical for a wide range of problems with temporal data. Ensemble modeling is a well-established technique for leveraging multiple predictive models to increase accuracy and robustness, as the…
We show that ensembles of deep neural networks, called deep ensembles, can be used to perform quantum parameter estimation while also providing a means for quantifying uncertainty in parameter estimates, which is a key advantage of using…
Traditional machine learning approaches may fail to perform satisfactorily when dealing with complex data. In this context, the importance of data mining evolves w.r.t. building an efficient knowledge discovery and mining framework.…
Several machine learning techniques for accurate detection of skin cancer from medical images have been reported. Many of these techniques are based on pre-trained convolutional neural networks (CNNs), which enable training the models based…
Machine learning (ML) is a promising approach for predicting small molecule properties in drug discovery. Here, we provide a comprehensive overview of various ML methods introduced for this purpose in recent years. We review a wide range of…
Continual learning with an increasing number of classes is a challenging task. The difficulty rises when each example is presented exactly once, which requires the model to learn online. Recent methods with classic parameter optimization…
Absorption, distribution, metabolism, and excretion (ADME) studies are critical for drug discovery. Conventionally, these tasks, together with other chemical property predictions, rely on domain-specific feature descriptors, or…
Proteins and other macromolecules exist not in a single state but as dynamic ensembles of interconverting conformations, which are essential for catalysis, allosteric regulation, and molecular recognition. While AI-based structure…
This study investigates the effectiveness of several machine learning algorithms for static malware detection using the EMBER dataset, which contains feature representations of Portable Executable (PE) files. We evaluate eight…
In this article, we propose a novel probabilistic framework to improve the accuracy of a weighted majority voting algorithm. In order to assign higher weights to the classifiers which can correctly classify hard-to-classify instances, we…
To improve the recognition ability of computer-aided breast mass classification among mammographic images, in this work we explore the state-of-the-art classification networks to develop an ensemble mechanism. First, the regions of interest…
Recently supervised machine learning has been ascending in providing new predictive approaches for chemical, biological and materials sciences applications. In this Perspective we focus on the interplay of machine learning algorithm with…