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Understanding how chemical perturbations propagate through biological systems is essential for robust molecular property prediction. While most existing methods focus on chemical structures alone, recent advances highlight the crucial role…

Machine Learning · Computer Science 2025-11-27 Mengran Li , Zelin Zang , Wenbin Xing , Junzhou Chen , Ronghui Zhang , Jiebo Luo , Stan Z. Li

Video is a promising source of knowledge for embodied agents to learn models of the world's dynamics. Large deep networks have become increasingly effective at modeling complex video data in a self-supervised manner, as evaluated by metrics…

Computer Vision and Pattern Recognition · Computer Science 2023-04-27 Stephen Tian , Chelsea Finn , Jiajun Wu

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…

Can Visual Question Answering (VQA) systems perform just as well when deployed in the real world? Or are they susceptible to realistic corruption effects e.g. image blur, which can be detrimental in sensitive applications, such as medical…

Computer Vision and Pattern Recognition · Computer Science 2024-10-30 Md Farhan Ishmam , Ishmam Tashdeed , Talukder Asir Saadat , Md Hamjajul Ashmafee , Abu Raihan Mostofa Kamal , Md. Azam Hossain

Real-world data visualization (DV) requires native environmental grounding, cross-platform evolution, and proactive intent alignment. Yet, existing benchmarks often suffer from code-sandbox confinement, single-language creation-only tasks,…

Computational models are invaluable in capturing the complexities of real-world biological processes. Yet, the selection of appropriate algorithms for inference tasks, especially when dealing with real-world observational data, remains a…

Applications · Statistics 2024-10-01 Xiaoyu Wang , Ryan P. Kelly , Adrianne L. Jenner , David J. Warne , Christopher Drovandi

Benchmark accuracy is often implicitly assumed to reflect grounded visual understanding in vision-language models (VLMs), yet it remains unclear to what extent such scores truly reflect reliance on visual evidence. Motivated by a surprising…

Computer Vision and Pattern Recognition · Computer Science 2026-05-25 Zixuan Lan , Luzhe Sun , Matthew R. Walter , Jiawei Zhou

Computational models and simulations are not just appealing because of their intrinsic characteristics across spatiotemporal scales, scalability, and predictive power, but also because the set of problems in cancer biomedicine that can be…

Tissues and Organs · Quantitative Biology 2023-11-01 Nicolò Cogno , Cristian Axenie , Roman Bauer , Vasileios Vavourakis

Virtual sensors replace expensive physical sensors in critical applications through machine learning by predicting target signals from available measurements. Existing virtual sensor approaches require application-specific models with…

Machine Learning · Computer Science 2026-05-07 Leon Götz , Lars Frederik Peiss , Erik Sauer , Andreas Udo Sass , Thorsten Bagdonat , Stephan Günnemann , Leo Schwinn

Different research communities have developed various approaches to assess the credibility of predictive models. Each approach usually works well for a specific type of model, and under some epistemic conditions that are normally satisfied…

Quantitative Methods · Quantitative Biology 2019-10-25 Marco Viceconti , Miguel A. Juárez , Cristina Curreli , Marzio Pennisi , Giulia Russo , Francesco Pappalardo

Prediction models need reliable predictive performance as they inform clinical decisions, aiding in diagnosis, prognosis, and treatment planning. The predictive performance of these models is typically assessed through discrimination and…

Methodology · Statistics 2025-04-25 Wouter A. C. van Amsterdam

Large language models (LLMs) are transforming cellular biology by enabling the development of "virtual cells"--computational systems that represent, predict, and reason about cellular states and behaviors. This work provides a comprehensive…

Computation and Language · Computer Science 2025-10-10 Krinos Li , Xianglu Xiao , Shenglong Deng , Lucas He , Zijun Zhong , Yuanjie Zou , Zhonghao Zhan , Zheng Hui , Weiye Bao , Guang Yang

Recent efforts to accelerate inference in Multimodal Large Language Models (MLLMs) have largely focused on visual token compression. The effectiveness of these methods is commonly evaluated by measuring the accuracy drop on existing MLLM…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Chenfei Liao , Wensong Wang , Zichen Wen , Xu Zheng , Yiyu Wang , Haocong He , Yuanhuiyi Lyu , Lutao Jiang , Xin Zou , Yuqian Fu , Bin Ren , Linfeng Zhang , Xuming Hu

The evaluation of text-generative vision-language models is a challenging yet crucial endeavor. By addressing the limitations of existing Visual Question Answering (VQA) benchmarks and proposing innovative evaluation methodologies, our…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Simon Ging , María A. Bravo , Thomas Brox

Survival analysis, which estimates the probability of event occurrence over time from censored data, is fundamental in numerous real-world applications, particularly in high-stakes domains such as healthcare and risk assessment. Despite…

Machine Learning · Computer Science 2025-05-26 Yu Liu , Weiyao Tao , Tong Xia , Simon Knight , Tingting Zhu

Estimating cell-to-cell variation (CtCV) and state of health (SoH) for battery modules composed of parallel-connected cells is challenging when only module-level signals are measurable and individual cell behaviors remain unobserved.…

Systems and Control · Electrical Eng. & Systems 2026-04-24 Qinan Zhou , Jing Sun

Machine Learning has been applied to pathology images in research and clinical practice with promising outcomes. However, standard ML models often lack the rigorous evaluation required for clinical decisions. Machine learning techniques for…

Image and Video Processing · Electrical Eng. & Systems 2022-04-19 Syed Ashar Javed , Dinkar Juyal , Zahil Shanis , Shreya Chakraborty , Harsha Pokkalla , Aaditya Prakash

The modern deep learning field is a scale-centric one. Larger models have been shown to consistently perform better than smaller models of similar architecture. In many sub-domains of biomedical research, however, the model scaling is…

Computer Vision and Pattern Recognition · Computer Science 2026-04-02 Nicholas Kuang , Vanessa Scalon , Ji Yu

We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to…

Machine Learning · Computer Science 2021-12-07 Carl Poelking , Felix A. Faber , Bingqing Cheng

Insufficient performance of optimization approaches for fitting of mathematical models is still a major bottleneck in systems biology. In this manuscript, the reasons and methodological challenges are summarized as well as their impact in…

Performance · Computer Science 2019-07-09 Clemens Kreutz