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One of the key requirements for incorporating machine learning into the drug discovery process is complete reproducibility and traceability of the model building and evaluation process. With this in mind, we have developed an end-to-end…

Automated Machine Learning (AutoML) is a rapidly growing set of technologies that automate the model development pipeline by searching model space and generating candidate models. A critical, final step of AutoML is human selection of a…

Human-Computer Interaction · Computer Science 2021-04-12 Shweta Narkar , Yunfeng Zhang , Q. Vera Liao , Dakuo Wang , Justin D Weisz

AI workloads, particularly those driven by deep learning, are introducing novel usage patterns to high-performance computing (HPC) systems that are not comprehensively captured by standard HPC benchmarks. As one of the largest academic…

We introduce an automatic machine learning (AutoML) modeling architecture called Autostacker, which combines an innovative hierarchical stacking architecture and an Evolutionary Algorithm (EA) to perform efficient parameter search. Neither…

Machine Learning · Computer Science 2018-03-05 Boyuan Chen , Harvey Wu , Warren Mo , Ishanu Chattopadhyay , Hod Lipson

In the last ten years, various automated machine learning (AutoM ) systems have been proposed to build end-to-end machine learning (ML) pipelines with minimal human interaction. Even though such automatically synthesized ML pipelines are…

Machine Learning · Computer Science 2023-11-27 Marc-André Zöller , Waldemar Titov , Thomas Schlegel , Marco F. Huber

Clinical prognostic models derived from largescale healthcare data can inform critical diagnostic and therapeutic decisions. To enable off-theshelf usage of machine learning (ML) in prognostic research, we developed AUTOPROGNOSIS: a system…

Machine Learning · Computer Science 2018-02-21 Ahmed M. Alaa , Mihaela van der Schaar

Cancer diagnosis has greatly benefited from the integration of whole-slide images (WSIs) with multiple instance learning (MIL), enabling high-resolution analysis of tissue morphology. Graph-based MIL (GNN-MIL) approaches have emerged as…

Computer Vision and Pattern Recognition · Computer Science 2025-08-27 Jongwoo Kim , Bryan Wong , Huazhu Fu , Willmer Rafell Quiñones , Youngsin Ko , Mun Yong Yi

Machine Learning (ML) has transformed many scientific fields, yet key applications still lack standardized benchmarks. Raman spectroscopy, a widely used technique for non-invasive molecular analysis, is one such field where progress is…

Digital histopathology whole slide images (WSIs) provide gigapixel-scale high-resolution images that are highly useful for disease diagnosis. However, digital histopathology image analysis faces significant challenges due to the limited…

Computer Vision and Pattern Recognition · Computer Science 2026-02-13 Bodong Zhang , Xiwen Li , Hamid Manoochehri , Xiaoya Tang , Deepika Sirohi , Beatrice S. Knudsen , Tolga Tasdizen

Path planning is a key component in mobile robotics. A wide range of path planning algorithms exist, but few attempts have been made to benchmark the algorithms holistically or unify their interface. Moreover, with the recent advances in…

Digital pathology based on whole slide images (WSIs) plays a key role in cancer diagnosis and clinical practice. Due to the high resolution of the WSI and the unavailability of patch-level annotations, WSI classification is usually…

Computer Vision and Pattern Recognition · Computer Science 2023-05-02 Litao Yang , Deval Mehta , Sidong Liu , Dwarikanath Mahapatra , Antonio Di Ieva , Zongyuan Ge

Timely and accurate lymphoma diagnosis is essential for guiding cancer treatment. Standard diagnostic practice combines hematoxylin and eosin (HE)-stained whole slide images with immunohistochemistry, flow cytometry, and molecular genetic…

A new multi-attention based method for solving the MIL problem (MAMIL), which takes into account the neighboring patches or instances of each analyzed patch in a bag, is proposed. In the method, one of the attention modules takes into…

Machine Learning · Computer Science 2021-12-14 Andrei V. Konstantinov , Lev V. Utkin

The evaluation of large language models (LLMs) is crucial to assess their performance and mitigate potential security risks. In this paper, we introduce PromptBench, a unified library to evaluate LLMs. It consists of several key components…

Artificial Intelligence · Computer Science 2024-08-21 Kaijie Zhu , Qinlin Zhao , Hao Chen , Jindong Wang , Xing Xie

Automated Machine Learning (AutoML) has been used successfully in settings where the learning task is assumed to be static. In many real-world scenarios, however, the data distribution will evolve over time, and it is yet to be shown…

Machine Learning · Computer Science 2022-12-08 Bilge Celik , Prabhant Singh , Joaquin Vanschoren

Machine Learning (ML) has gained popularity in actuarial research and insurance industrial applications. However, the performance of most ML tasks heavily depends on data preprocessing, model selection, and hyperparameter optimization,…

Machine Learning · Computer Science 2024-08-27 Panyi Dong , Zhiyu Quan

Large language models (LLMs) have shown promising capabilities in visually interpreting medical time-series data. However, their general-purpose design can limit domain-specific precision, and the proprietary nature of many models poses…

Artificial Intelligence · Computer Science 2025-07-22 Huayu Li , Zhengxiao He , Xiwen Chen , Ci Zhang , Stuart F. Quan , William D. S. Killgore , Shu-Fen Wung , Chen X. Chen , Geng Yuan , Jin Lu , Ao Li

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

Multi-instance learning is common for computer vision tasks, especially in biomedical image processing. Traditional methods for multi-instance learning focus on designing feature aggregation methods and multi-instance classifiers, where the…

Computer Vision and Pattern Recognition · Computer Science 2021-03-18 Yanlun Tu , Houchao Lei , Wei Long , Yang Yang