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Predicting synergistic drug combinations can help accelerate discovery of cancer treatments, particularly therapies personalized to a patient's specific tumor via biopsied cells. In this paper, we propose a novel setting and models for…

Artificial Intelligence · Computer Science 2023-10-26 Carl Edwards , Aakanksha Naik , Tushar Khot , Martin Burke , Heng Ji , Tom Hope

Diffusion models have emerged as a dominant approach for text-to-image generation. Key components such as the human preference alignment and classifier-free guidance play a crucial role in ensuring generation quality. However, their…

Computer Vision and Pattern Recognition · Computer Science 2025-06-10 Minghao Fu , Guo-Hua Wang , Liangfu Cao , Qing-Guo Chen , Zhao Xu , Weihua Luo , Kaifu Zhang

Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify and consolidate chemical knowledge, the case for models with…

Understanding the mechanisms of interactions within cells, tissues, and organisms is crucial to driving developments across biology and medicine. Mathematical modeling is an essential tool for simulating biological systems and revealing…

Molecular Networks · Quantitative Biology 2024-08-13 Lingxia Qiao , Ali Khalilimeybodi , Nathaniel J Linden-Santangeli , Padmini Rangamani

Systems biology models are useful models of complex biological systems that may require a large amount of experimental data to fit each model's parameters or to approximate a likelihood function. These models range from a few to thousands…

Quantitative Methods · Quantitative Biology 2024-07-12 Vincent D. Zaballa , Elliot E. Hui

Analyzing microscopy images to extract biological object properties (e.g., their morphological organization, temporal dynamics, and population density) is fundamental to various biomedical research. Yet conducting this manually is costly…

Computer Vision and Pattern Recognition · Computer Science 2026-05-15 Xiaofei Hui , Haoxuan Qu , Hossein Rahmani , Shuohong Wang , Jeff W. Lichtman , Jun Liu

Off-lattice agent-based models (or cell-based models) of multicellular systems are increasingly used to create in-silico models of in-vitro and in-vivo experimental setups of cells and tissues, such as cancer spheroids, neural crest cell…

Numerical Analysis · Mathematics 2026-02-23 Justin Steinman , Andreas Buttenschön

Accurately modeling multi-class cell topology is crucial in digital pathology, as it provides critical insights into tissue structure and pathology. The synthetic generation of cell topology enables realistic simulations of complex tissue…

Image and Video Processing · Electrical Eng. & Systems 2025-03-26 Meilong Xu , Saumya Gupta , Xiaoling Hu , Chen Li , Shahira Abousamra , Dimitris Samaras , Prateek Prasanna , Chao Chen

The emergence of pathology foundation models has revolutionized computational histopathology, enabling highly accurate, generalized whole-slide image analysis for improved cancer diagnosis, and prognosis assessment. While these models show…

All aspects of our society, including the life sciences, need a mechanism for people working within them to represent the concepts they employ to carry out their research. For the information systems being designed and developed to support…

Human-Computer Interaction · Computer Science 2025-06-24 R. Lukyanenko , O. Pastor , V. C. Storey

Generative modelling for shapes is a prerequisite for In-Silico Clinical Trials (ISCTs), which aim to cost-effectively validate medical device interventions using synthetic anatomical shapes, often represented as 3D surface meshes. However,…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Soodeh Kalaie , Andy Bulpitt , Alejandro F. Frangi , Ali Gooya

Biological systems are often modeled as a system of ordinary differential equations (ODEs) with time-invariant parameters. However, cell signaling events or pharmacological interventions may alter the cellular state and induce multi-mode…

Quantitative Methods · Quantitative Biology 2020-04-28 Bing Liu

In biomedical research, to obtain more accurate prediction results from a target study, leveraging information from multiple similar source studies is proved to be useful. However, in many biomedical applications based on real-world data,…

Methodology · Statistics 2025-12-29 Xiaokang Liu , Jie Hu , Naimin Jing , Yang Ning , Cheng Yong Tang , Runze Li , Yong Chen

Matching patients to clinical trials is a key unsolved challenge in bringing new drugs to market. Today, identifying patients who meet a trial's eligibility criteria is highly manual, taking up to 1 hour per patient. Automated screening is…

Computation and Language · Computer Science 2024-04-11 Michael Wornow , Alejandro Lozano , Dev Dash , Jenelle Jindal , Kenneth W. Mahaffey , Nigam H. Shah

In semi-supervised segmentation, capturing meaningful semantic structures from unlabeled data is essential. This is particularly challenging in histopathology image analysis, where objects are densely distributed. To address this issue, we…

Computer Vision and Pattern Recognition · Computer Science 2025-10-03 Meilong Xu , Xiaoling Hu , Shahira Abousamra , Chen Li , Chao Chen

Clinical trials are critical for drug development. Constructing the appropriate eligibility criteria (i.e., the inclusion/exclusion criteria for patient recruitment) is essential for the trial's success. Proper design of clinical trial…

Computation and Language · Computer Science 2023-10-10 Zifeng Wang , Cao Xiao , Jimeng Sun

Topic models have a rich history with various applications and have recently been reinvigorated by neural topic modeling. However, these numerous topic models adopt totally distinct datasets, implementations, and evaluations. This impedes…

Computation and Language · Computer Science 2024-06-17 Xiaobao Wu , Fengjun Pan , Anh Tuan Luu

Predicting transcriptional responses to novel drugs provides a unique opportunity to accelerate biomedical research and advance drug discovery efforts. However, the inherent complexity and high dimensionality of cellular responses, combined…

Medical dialogue systems have attracted significant attention for their potential to act as medical assistants. Enabling these medical systems to emulate clinicians' diagnostic reasoning process has been the long-standing research focus.…

Computation and Language · Computer Science 2024-06-21 Kaishuai Xu , Yi Cheng , Wenjun Hou , Qiaoyu Tan , Wenjie Li

While generative models have recently become ubiquitous in many scientific areas, less attention has been paid to their evaluation. For molecular generative models, the state-of-the-art examines their output in isolation or in relation to…

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