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Our work is concerned with the generation and targeted design of RNA, a type of genetic macromolecule that can adopt complex structures which influence their cellular activities and functions. The design of large scale and complex…

Biomolecules · Quantitative Biology 2021-02-02 Zichao Yan , William L. Hamilton , Mathieu Blanchette

Geometric regularity, which leverages data symmetry, has been successfully incorporated into deep learning architectures such as CNNs, RNNs, GNNs, and Transformers. While this concept has been widely applied in robotics to address the curse…

Robotics · Computer Science 2024-03-19 Shengchao Yan , Baohe Zhang , Yuan Zhang , Joschka Boedecker , Wolfram Burgard

Deep learning has emerged as a powerful framework for analyzing biomolecular dynamics trajectories, enabling efficient representations that capture essential system dynamics and facilitate mechanistic studies. We propose a neural network…

Biomolecules · Quantitative Biology 2025-11-25 Guanghong Zuo

Knowledge graph representation learning approaches provide a mapping between symbolic knowledge in the form of triples in a knowledge graph (KG) and their feature vectors. Knowledge graph embedding (KGE) models often represent relations in…

Machine Learning · Computer Science 2025-07-18 Kossi Amouzouvi , Bowen Song , Andrea Coletta , Luigi Bellomarini , Jens Lehmann , Sahar Vahdati

Fine-tuning pre-trained transformers is a powerful technique for enhancing the performance of base models on specific tasks. From early applications in models like BERT to fine-tuning Large Language Models (LLMs), this approach has been…

Computation and Language · Computer Science 2025-02-25 Suneel Nadipalli

State-of-the-art brain graph analysis methods fail to fully encode the small-world architecture of brain graphs (accompanied by the presence of hubs and functional modules), and therefore lack biological plausibility to some extent. This…

Machine Learning · Computer Science 2025-02-14 Ciyuan Peng , Yuelong Huang , Qichao Dong , Shuo Yu , Feng Xia , Chengqi Zhang , Yaochu Jin

Cancers are mainly caused by somatic genomic alterations (SGAs) that perturb cellular signaling systems and eventually activate oncogenic processes. Therefore, understanding the functional impact of SGAs is a fundamental task in cancer…

Molecular Networks · Quantitative Biology 2019-09-24 Yifeng Tao , Chunhui Cai , William W. Cohen , Xinghua Lu

The advent of next-generation sequencing-based spatially resolved transcriptomics (SRT) techniques has reshaped genomic studies by enabling high-throughput gene expression profiling while preserving spatial and morphological context.…

Applications · Statistics 2025-02-20 Bencong Zhu , Alberto Cassese , Marina Vannucci , Michele Guindani , Qiwei Li

Reconstructing coherent 3D geometry and appearance from unposed multi-view images is a fundamental yet challenging problem in computer vision. Most existing visual geometry foundation models predict explicit geometry by regressing…

Computer Vision and Pattern Recognition · Computer Science 2026-05-22 Yuqi Wu , Tianyu Hu , Wenzhao Zheng , Yuanhui Huang , Haowen Sun , Jie Zhou , Jiwen Lu

Variational autoencoders (VAEs) learn representations of data by jointly training a probabilistic encoder and decoder network. Typically these models encode all features of the data into a single variable. Here we are interested in learning…

Motivated by the growing interest in representation learning approaches that uncover the latent structure of high-dimensional data, this work proposes new algorithms for reconstruction-based manifold learning within Reproducing-Kernel…

Machine Learning · Computer Science 2026-05-07 Enrique Feito-Casares , Francisco M. Melgarejo-Meseguer , José-Luis Rojo-Álvarez

Single-cell data analysis seeks to characterize cellular heterogeneity based on high-dimensional gene expression profiles. Conventional approaches represent each cell as a vector in Euclidean space, which limits their ability to capture…

Machine Learning · Computer Science 2025-11-18 Xiang Xiang Wang , Sean Cottrell , Guo-Wei Wei

Spatial networks are networks whose graph topology is constrained by their embedded spatial space. Understanding the coupled spatial-graph properties is crucial for extracting powerful representations from spatial networks. Therefore,…

Machine Learning · Computer Science 2024-01-11 Zheng Zhang , Sirui Li , Jingcheng Zhou , Junxiang Wang , Abhinav Angirekula , Allen Zhang , Liang Zhao

Phenotype-based screening has attracted much attention for identifying cell-active compounds. Transcriptional and proteomic profiles of cell population or single cells are informative phenotypic measures of cellular responses to…

Quantitative Methods · Quantitative Biology 2023-11-20 Wei Huang , Aichun Zhu , Hui Liu

We investigate the geometric structure of learning dynamics in overparameterized transformer models through carefully controlled modular arithmetic tasks. Our primary finding is that despite operating in high-dimensional parameter spaces…

Machine Learning · Computer Science 2026-02-16 Yongzhong Xu

We propose a novel approach for visual representation learning called Signature-Graph Neural Networks (SGN). SGN learns latent global structures that augment the feature representation of Convolutional Neural Networks (CNN). SGN constructs…

Computer Vision and Pattern Recognition · Computer Science 2021-10-25 Ali Hamdi , Flora Salim , Du Yong Kim , Xiaojun Chang

The heterogeneity of breast cancer presents considerable challenges for its early detection, prognosis, and treatment selection. Convolutional neural networks often neglect the spatial relationships within histopathological images, which…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Akhila Krishna K , Ravi Kant Gupta , Nikhil Cherian Kurian , Pranav Jeevan , Amit Sethi

In this contribution, we demonstrate that Graph Neural Networks and Transformers can learn to reason about geometric constraints. We train them to predict spatial position of points in a discrete 2D grid from a set of constraints that…

Machine Learning · Computer Science 2026-03-03 Jan Hůla , David Mojžíšek , Jiří Janeček , David Herel , Mikoláš Janota

Deep neural networks progressively transform their inputs across multiple processing layers. What are the geometrical properties of the representations learned by these networks? Here we study the intrinsic dimensionality (ID) of…

Machine Learning · Computer Science 2019-10-29 Alessio Ansuini , Alessandro Laio , Jakob H. Macke , Davide Zoccolan

Many media are divided into elementary units with irregular shape and size, as exemplified by domains in magnetic materials, bubbles in foams, or cells in biological tissues. Such media are essentially characterized by geometrical disorder…

Biological Physics · Physics 2021-04-21 Antoine Fruleux , Arezki Boudaoud