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Machine learning (ML) is revolutionising drug discovery by expediting the prediction of small molecule properties essential for developing new drugs. These properties -- including absorption, distribution, metabolism and excretion (ADME)--…

Machine Learning · Computer Science 2024-08-02 Alex G. C. de Sá , David B. Ascher

Automated model discovery is the process of automatically searching and identifying the most appropriate model for a given dataset over a large combinatorial search space. Existing approaches, however, often face challenges in balancing the…

Artificial Intelligence · Computer Science 2025-10-01 Lee Jung-Mok , Nam Hyeon-Woo , Moon Ye-Bin , Junhyun Nam , Tae-Hyun Oh

Multi-task learning (MTL) has achieved success over a wide range of problems, where the goal is to improve the performance of a primary task using a set of relevant auxiliary tasks. However, when the usefulness of the auxiliary tasks w.r.t.…

Computation and Language · Computer Science 2019-04-09 Han Guo , Ramakanth Pasunuru , Mohit Bansal

The input data pipeline is an essential component of each machine learning (ML) training job. It is responsible for reading massive amounts of training data, processing batches of samples using complex transformations, and loading them onto…

Machine Learning · Computer Science 2024-11-28 Mark Zhao , Emanuel Adamiak , Christos Kozyrakis

Automated data augmentation, which aims at engineering augmentation policy automatically, recently draw a growing research interest. Many previous auto-augmentation methods utilized a Density Matching strategy by evaluating policies in…

Computer Vision and Pattern Recognition · Computer Science 2022-07-22 Jianwei Zhang , Dong Li , Lituan Wang , Lei Zhang

With the wide spread of sensors and smart devices in recent years, the data generation speed of the Internet of Things (IoT) systems has increased dramatically. In IoT systems, massive volumes of data must be processed, transformed, and…

Machine Learning · Computer Science 2022-09-19 Li Yang , Abdallah Shami

In this paper, we present an end-to-end automated motion recognition (AutoMR) pipeline designed for multimodal datasets. The proposed framework seamlessly integrates data preprocessing, model training, hyperparameter tuning, and evaluation,…

Computer Vision and Pattern Recognition · Computer Science 2025-02-24 Likun Zhang , Sicheng Yang , Zhuo Wang , Haining Liang , Junxiao Shen

Compiler optimization relies on sequences of passes to improve program performance. Selecting and ordering these passes automatically, known as compiler auto-tuning, is challenging due to the large and complex search space. Existing…

Software Engineering · Computer Science 2025-10-16 Haolin Pan , Jinyuan Dong , Mingjie Xing , Yanjun Wu

This work presents a systematic benchmark of differentially private synthetic data generation algorithms that can generate tabular data. Utility of the synthetic data is evaluated by measuring whether the synthetic data preserve the…

Cryptography and Security · Computer Science 2022-02-16 Yuchao Tao , Ryan McKenna , Michael Hay , Ashwin Machanavajjhala , Gerome Miklau

This study explores the application and performance of Transformational Machine Learning (TML) in drug discovery. TML, a meta learning algorithm, excels in exploiting common attributes across various domains, thus developing composite…

Biomolecules · Quantitative Biology 2023-10-02 Adnan Mahmud , Oghenejokpeme Orhobor , Ross D. King

Currently, a variety of pipeline tools are available for use in data engineering. Data scientists can use these tools to resolve data wrangling issues associated with data and accomplish some data engineering tasks from data ingestion…

Machine Learning · Computer Science 2024-06-21 Anthony Mbata , Yaji Sripada , Mingjun Zhong

Machine learning (ML) has significantly advanced text classification by enabling automated understanding and categorization of complex, unstructured textual data. However, accurately capturing nuanced linguistic patterns and contextual…

Computation and Language · Computer Science 2025-06-30 Peiheng Gao , Chen Yang , Ning Sun , Ričardas Zitikis

The reliability of multilingual Large Language Model (LLM) evaluation is currently compromised by the inconsistent quality of translated benchmarks. Existing resources often suffer from semantic drift and context loss, which can lead to…

Computation and Language · Computer Science 2026-02-26 Hanna Yukhymenko , Anton Alexandrov , Martin Vechev

Classifying network traffic is the basis for important network applications. Prior research in this area has faced challenges on the availability of representative datasets, and many of the results cannot be readily reproduced. Such a…

Cryptography and Security · Computer Science 2020-04-29 Onur Barut , Yan Luo , Tong Zhang , Weigang Li , Peilong Li

Enhancing yield is recognized as a paramount driver to reducing production costs in semiconductor smart manufacturing. However, optimizing and ensuring high yield rates is a highly complex and technical challenge, especially while…

Computational Engineering, Finance, and Science · Computer Science 2024-03-20 Weihong Zhai , Xiupeng Shi , Yiik Diew Wong , Qing Han , Lisheng Chen

Large Language Models (LLMs) such as GPT-4 and Llama3 have significantly impacted various fields by enabling high-quality synthetic data generation and reducing dependence on expensive human-generated datasets. Despite this, challenges…

Computation and Language · Computer Science 2025-11-18 Yue Huang , Siyuan Wu , Chujie Gao , Dongping Chen , Qihui Zhang , Yao Wan , Tianyi Zhou , Jianfeng Gao , Chaowei Xiao , Lichao Sun , Xiangliang Zhang

The study emphasizes the challenge of finding the optimal trade-off between bias and variance, especially as hyperparameter optimization increases in complexity. Through empirical analysis, three hyperparameter tuning algorithms…

Machine Learning · Computer Science 2024-08-30 Subhasis Dasgupta , Jaydip Sen

Traditional statistical and measurements are unable to solve all industrial data in the right way and appropriate time. Open markets mean the customers are increased, and production must increase to provide all customer requirements.…

General Economics · Economics 2020-11-26 Hamza Saad

Combinatorial optimization augmented machine learning (COAML) has recently emerged as a powerful paradigm for integrating predictive models with combinatorial decision-making. By embedding combinatorial optimization oracles into learning…

Machine Learning · Computer Science 2026-01-16 Maximilian Schiffer , Heiko Hoppe , Yue Su , Louis Bouvier , Axel Parmentier

Following the development of digitization, a growing number of large Original Equipment Manufacturers (OEMs) are adapting computer vision or natural language processing in a wide range of applications such as anomaly detection and quality…

Machine Learning · Computer Science 2022-12-07 Qiang Li , Chongyu Zhang