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Anti-cancer drug sensitivity prediction using deep learning models for individual cell line is a significant challenge in personalized medicine. REFINED (REpresentation of Features as Images with NEighborhood Dependencies) CNN…

机器学习 · 计算机科学 2021-07-22 Omid Bazgir , Souparno Ghosh , Ranadip Pal

With the increased affordability and availability of whole-genome sequencing, large-scale and high-throughput gene expression is widely used to characterize diseases, including cancers. However, establishing specificity in cancer diagnosis…

机器学习 · 统计学 2018-12-21 Xi Chen , Jin Xie , Qingcong Yuan

Drug-target binding affinity prediction plays an important role in the early stages of drug discovery, which can infer the strength of interactions between new drugs and new targets. However, the performance of previous computational models…

机器学习 · 计算机科学 2023-07-19 Xinxing Yang , Genke Yang , Jian Chu

While scaling laws for large language models (LLMs) during pre-training have been extensively studied, their behavior under reinforcement learning (RL) post-training remains largely unexplored. This paper presents a systematic empirical…

Large Language Models (LLMs) employ three popular training approaches: Masked Language Models (MLM), Causal Language Models (CLM), and Sequence-to-Sequence Models (seq2seq). However, each approach has its strengths and limitations, and…

机器学习 · 计算机科学 2025-02-18 Xuefeng Liu , Songhao Jiang , Bo Li , Rick Stevens

Self-supervised learning (SSL) is a method that learns the data representation by utilizing supervision inherent in the data. This learning method is in the spotlight in the drug field, lacking annotated data due to time-consuming and…

生物大分子 · 定量生物学 2022-08-19 Kisung Moon , Sunyoung Kwon

Cancer has relational information residing at varying scales, modalities, and resolutions of the acquired data, such as radiology, pathology, genomics, proteomics, and clinical records. Integrating diverse data types can improve the…

机器学习 · 计算机科学 2024-07-29 Asim Waqas , Aakash Tripathi , Ravi P. Ramachandran , Paul Stewart , Ghulam Rasool

Traditional drug design faces significant challenges due to inherent chemical and biological complexities, often resulting in high failure rates in clinical trials. Deep learning advancements, particularly generative models, offer potential…

Machine learning (ML) continues to grow in importance across nearly all domains and is a natural tool in modeling to learn from data. Often a tradeoff exists between a model's ability to minimize bias and variance. In this paper, we utilize…

机器学习 · 计算机科学 2020-11-16 Xingfu Wu , Valerie Taylor

In recent years Deep Neural Networks (DNNs) have been rapidly developed in various applications, together with increasingly complex architectures. The performance gain of these DNNs generally comes with high computational costs and large…

机器学习 · 计算机科学 2017-12-05 Yiren Zhou , Seyed-Mohsen Moosavi-Dezfooli , Ngai-Man Cheung , Pascal Frossard

Predictive process monitoring concerns itself with the prediction of ongoing cases in (business) processes. Prediction tasks typically focus on remaining time, outcome, next event or full case suffix prediction. Various methods using…

机器学习 · 计算机科学 2022-03-29 Jari Peeperkorn , Seppe vanden Broucke , Jochen De Weerdt

Predicting the response of a cancer cell line to a therapeutic drug is pivotal for personalized medicine. Despite numerous deep learning methods that have been developed for drug response prediction, integrating diverse information about…

机器学习 · 计算机科学 2025-03-31 Haoyuan Shi , Tao Xu , Xiaodi Li , Qian Gao , Zhiwei Xiong , Junfeng Xia , Zhenyu Yue

Classification of cancer cellularity within tissue samples is currently a manual process performed by pathologists. This process of correctly determining cancer cellularity can be time intensive. Deep Learning (DL) techniques in particular…

图像与视频处理 · 电气工程与系统科学 2022-11-10 Jacob D. Beckmann , Kosta Popovic

Identifying the genes and mutations that drive the emergence of tumors is a major step to improve understanding of cancer and identify new directions for disease diagnosis and treatment. Despite the large volume of genomics data, the…

机器学习 · 计算机科学 2022-04-05 Renan Andrades , Mariana Recamonde-Mendoza

We apply a temporal edge prediction model for weighted dynamic graphs to predict time-dependent changes in molecular structure. Each molecule is represented as a complete graph in which each atom is a vertex and all vertex pairs are…

机器学习 · 计算机科学 2021-06-28 Michael Hunter Ashby , Jenna A. Bilbrey

With the increased penetration of wind energy into the power grid, it has become increasingly important to be able to predict the expected power production for larger wind farms. Deep learning (DL) models can learn complex patterns in the…

机器学习 · 计算机科学 2022-06-07 Lars Ødegaard Bentsen , Narada Dilp Warakagoda , Roy Stenbro , Paal Engelstad

Drug discovery remains a slow and expensive process that involves many steps, from detecting the target structure to obtaining approval from the Food and Drug Administration (FDA), and is often riddled with safety concerns. Accurate…

定量方法 · 定量生物学 2025-08-22 Ali Vefghi , Zahed Rahmati , Mohammad Akbari

We present a new experimental-computational technology of inferring network models that predict the response of cells to perturbations and that may be useful in the design of combinatorial therapy against cancer. The experiments are…

When training deep neural networks, a model's generalization error is often observed to follow a power scaling law dependent both on the model size and the data size. Perhaps the best known example of such scaling laws are for…

机器学习 · 计算机科学 2024-11-12 Alex Havrilla , Wenjing Liao

In clinical treatment, identifying potential adverse reactions of drugs can help assist doctors in making medication decisions. In response to the problems in previous studies that features are high-dimensional and sparse, independent…

定量方法 · 定量生物学 2024-07-30 Yufeng Li , Wenchao Zhao , Bo Dang , Xu Yan , Weimin Wang , Min Gao , Mingxuan Xiao