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Training machine learning interatomic potentials (MLIPs) for reactive chemistry is often bottlenecked by the high cost of quantum chemical labels and the scarcity of transition state configurations in candidate pools. Active learning (AL)…

Machine Learning · Computer Science 2026-05-18 Eszter Varga-Umbrich , Shikha Surana , Paul Duckworth , Jules Tilly , Olivier Peltre , Zachary Weller-Davies

Whole slide images (WSIs) enable weakly supervised prognostic modeling via multiple instance learning (MIL). Spatial transcriptomics (ST) preserves in situ gene expression, providing a spatial molecular context that complements morphology.…

Computer Vision and Pattern Recognition · Computer Science 2026-02-16 Lihe Liu , Xiaoxi Pan , Yinyin Yuan , Lulu Shang

Self-supervised learning (SSL) has driven major advances in computational pathology by enabling the learning of rich representations from histopathology data. Yet, tissue analysis alone may fall short in capturing broader molecular…

Machine Learning · Computer Science 2025-12-17 Lucas Robinet , Ahmad Berjaoui , Elizabeth Cohen-Jonathan Moyal

Transfer learning has become a standard practice to mitigate the lack of labeled data in medical classification tasks. Whereas finetuning a downstream task using supervised ImageNet pretrained features is straightforward and extensively…

Computer Vision and Pattern Recognition · Computer Science 2023-11-27 Tuan Truong , Sadegh Mohammadi , Matthias Lenga

Recent advances in deep learning have shown that learning robust feature representations is critical for the success of many computer vision tasks, including medical image segmentation. In particular, both transformer and…

Computer Vision and Pattern Recognition · Computer Science 2025-02-03 David Li , Anvar Kurmukov , Mikhail Goncharov , Roman Sokolov , Mikhail Belyaev

Self-supervised learning (SSL) has been successful in building patch embeddings of small histology images (e.g., 224x224 pixels), but scaling these models to learn slide embeddings from the entirety of giga-pixel whole-slide images (WSIs)…

Computer Vision and Pattern Recognition · Computer Science 2024-05-21 Guillaume Jaume , Lukas Oldenburg , Anurag Vaidya , Richard J. Chen , Drew F. K. Williamson , Thomas Peeters , Andrew H. Song , Faisal Mahmood

Prediction Rule Ensembles (PREs) are robust and interpretable statistical learning techniques with potential for predictive analytics, yet their efficacy in the presence of missing data is untested. This study uses multiple imputation to…

Applications · Statistics 2024-10-22 Vincent Schroeder , Jakob Schwerter , Marjolein Fokkema , Philipp Doebler

Accurately predicting early recurrence in brain tumor patients following surgical resection remains a clinical challenge. This study proposes a multi-modal machine learning framework that integrates structural MRI features with clinical…

Machine Learning · Computer Science 2025-09-03 Cheng Cheng , Zeping Chen , Rui Xie , Peiyao Zheng , Xavier Wang

Human intelligence is multimodal; we integrate visual, linguistic, and acoustic signals to maintain a holistic worldview. Most current pretraining methods, however, are limited to one or two modalities. We present i-Code, a self-supervised…

Masked Autoencoder (MAE) has recently been shown to be effective in pre-training Vision Transformers (ViT) for natural image analysis. By reconstructing full images from partially masked inputs, a ViT encoder aggregates contextual…

Image and Video Processing · Electrical Eng. & Systems 2023-04-24 Lei Zhou , Huidong Liu , Joseph Bae , Junjun He , Dimitris Samaras , Prateek Prasanna

Recent studies have made remarkable progress in histopathology classification. Based on current successes, contemporary works proposed to further upgrade the model towards a more generalizable and robust direction through incrementally…

Computer Vision and Pattern Recognition · Computer Science 2024-01-23 Yu Zhu , Kang Li , Lequan Yu , Pheng-Ann Heng

Survival prediction plays a crucial role in assisting clinicians with the development of cancer treatment protocols. Recent evidence shows that multimodal data can help in the diagnosis of cancer disease and improve survival prediction.…

Image and Video Processing · Electrical Eng. & Systems 2023-11-14 Ruiquan Ge , Xiangyang Hu , Rungen Huang , Gangyong Jia , Yaqi Wang , Renshu Gu , Changmiao Wang , Elazab Ahmed , Linyan Wang , Juan Ye , Ye Li

Molecular representation learning plays a crucial role in advancing applications such as drug discovery and material design. Existing work leverages 2D and 3D modalities of molecular information for pre-training, aiming to capture…

Machine Learning · Computer Science 2025-10-09 Tengwei Song , Min Wu , Yuan Fang

Multimodal language models now integrate text, audio, and video for unified reasoning. Yet existing RL post-training pipelines treat all input signals as equally relevant, ignoring which modalities each task actually requires. This…

Artificial Intelligence · Computer Science 2026-02-13 Nikhil Verma , Minjung Kim , JooYoung Yoo , Kyung-Min Jin , Manasa Bharadwaj , Kevin Ferreira , Ko Keun Kim , Youngjoon Kim

Modeling multi-modal time-series data is critical for capturing system-level dynamics, particularly in biosignals where modalities such as ECG, PPG, EDA, and accelerometry provide complementary perspectives on interconnected physiological…

Machine Learning · Computer Science 2025-10-14 Wanting Mao , Maxwell A Xu , Harish Haresamudram , Mithun Saha , Santosh Kumar , James Matthew Rehg

Multimodal deep learning has shown strong potential in medical applications by integrating heterogeneous data sources such as medical images and structured clinical variables. However, most existing approaches implicitly assume complete…

Machine Learning · Computer Science 2026-05-13 Camillo Maria Caruso , Valerio Guarrasi , Paolo Soda

The clinical trial is a pivotal and costly process, often spanning multiple years and requiring substantial financial resources. Therefore, the development of clinical trial outcome prediction models aims to exclude drugs likely to fail and…

Machine Learning · Computer Science 2025-01-29 Wenhao Zheng , Liaoyaqi Wang , Dongshen Peng , Hongxia Xu , Yun Li , Hongtu Zhu , Tianfan Fu , Huaxiu Yao

Missing data is a common problem in clinical data collection, which causes difficulty in the statistical analysis of such data. In this article, we consider the problem under a framework of a semiparametric partially linear model when…

Methodology · Statistics 2022-06-13 Zishu Zhan , Xiangjie Li , Jingxiao Zhang

We introduce ProM3E, a probabilistic masked multimodal embedding model for any-to-any generation of multimodal representations for ecology. ProM3E is based on masked modality reconstruction in the embedding space, learning to infer missing…

Computer Vision and Pattern Recognition · Computer Science 2025-11-06 Srikumar Sastry , Subash Khanal , Aayush Dhakal , Jiayu Lin , Dan Cher , Phoenix Jarosz , Nathan Jacobs

Recent multimodal retrieval methods have endowed text-based retrievers with multimodal capabilities by utilizing pre-training strategies for visual-text alignment. They often directly fuse the two modalities for cross-reference during the…

Computer Vision and Pattern Recognition · Computer Science 2025-05-22 Yeong-Joon Ju , Ho-Joong Kim , Seong-Whan Lee