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Deep Neural Networks have shown tremendous success in the area of object recognition, image classification and natural language processing. However, designing optimal Neural Network architectures that can learn and output arbitrary graphs…

Machine Learning · Computer Science 2019-07-02 Mital Kinderkhedia

Classical unsupervised learning methods like clustering and linear dimensionality reduction parametrize large-scale geometry when it is discrete or linear, while more modern methods from manifold learning find low dimensional representation…

Machine Learning · Computer Science 2025-09-23 Luis Scoccola , Uzu Lim , Heather A. Harrington

We investigate the relationship between the geometry of token embeddings and their role in the next token prediction within transformer models. An important aspect of this connection uses the notion of empirical measure, which encodes the…

Computation and Language · Computer Science 2025-01-22 Karthik Viswanathan , Yuri Gardinazzi , Giada Panerai , Alberto Cazzaniga , Matteo Biagetti

Numerical models based on physics represent the state-of-the-art in earth system modeling and comprise our best tools for generating insights and predictions. Despite rapid growth in computational power, the perceived need for higher model…

Machine Learning · Computer Science 2022-01-10 Kate Duffy , Thomas Vandal , Weile Wang , Ramakrishna Nemani , Auroop R. Ganguly

The irreducible complexity of natural phenomena has led Graph Neural Networks to be employed as a standard model to perform representation learning tasks on graph-structured data. While their capacity to capture local and global patterns is…

Machine Learning · Computer Science 2024-02-13 Lorenzo Giusti

Evaluating the quality of reasoning traces from large language models remains understudied, labor-intensive, and unreliable: current practice relies on expert rubrics, manual annotation, and slow pairwise judgments. Automated efforts are…

Artificial Intelligence · Computer Science 2026-05-28 Xue Wen Tan , Nathaniel Tan , Galen Lee , Stanley Kok

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

Task-based modeling with recurrent neural networks (RNNs) has emerged as a popular way to infer the computational function of different brain regions. These models are quantitatively assessed by comparing the low-dimensional neural…

Neurons and Cognition · Quantitative Biology 2019-12-06 Niru Maheswaranathan , Alex H. Williams , Matthew D. Golub , Surya Ganguli , David Sussillo

We explore the topology of representation manifolds arising in autoregressive neural language models trained on raw text data. In order to study their properties, we introduce tools from computational algebraic topology, which we use as a…

Computation and Language · Computer Science 2024-06-11 Stephen Fitz , Peter Romero , Jiyan Jonas Schneider

Graph representation learning is a fast-growing field where one of the main objectives is to generate meaningful representations of graphs in lower-dimensional spaces. The learned embeddings have been successfully applied to perform various…

Machine Learning · Computer Science 2021-12-21 Md. Khaledur Rahman , Ariful Azad

Deep Neural Networks can generalize despite being significantly overparametrized. Recent research has tried to examine this phenomenon from various view points and to provide bounds on the generalization error or measures predictive of the…

Machine Learning · Computer Science 2020-12-07 Parth Natekar , Manik Sharma

As an intuitive description of complex physical, social, or brain systems, complex networks have fascinated scientists for decades. Recently, to abstract a network's structural and dynamical attributes for utilization, network…

Social and Information Networks · Computer Science 2022-10-21 Yue Deng

Graph embeddings have become a key and widely used technique within the field of graph mining, proving to be successful across a broad range of domains including social, citation, transportation and biological. Graph embedding techniques…

Machine Learning · Computer Science 2018-06-21 Stephen Bonner , Ibad Kureshi , John Brennan , Georgios Theodoropoulos , Andrew Stephen McGough , Boguslaw Obara

Deep neural networks can empirically perform efficient hierarchical learning, in which the layers learn useful representations of the data. However, how they make use of the intermediate representations are not explained by recent theories…

Machine Learning · Computer Science 2021-03-08 Minshuo Chen , Yu Bai , Jason D. Lee , Tuo Zhao , Huan Wang , Caiming Xiong , Richard Socher

Advances in deep learning models have revolutionized the study of biomolecule systems and their mechanisms. Graph representation learning, in particular, is important for accurately capturing the geometric information of biomolecules at…

Quantitative Methods · Quantitative Biology 2023-04-07 Xinye Xiong , Bingxin Zhou , Yu Guang Wang

Network-structured data becomes ubiquitous in daily life and is growing at a rapid pace. It presents great challenges to feature engineering due to the high non-linearity and sparsity of the data. The local and global structure of the…

Machine Learning · Computer Science 2025-01-31 Xin Sun , Zenghui Song , Yongbo Yu , Junyu Dong , Claudia Plant , Christian Boehm

We introduce a deep appearance model for rendering the human face. Inspired by Active Appearance Models, we develop a data-driven rendering pipeline that learns a joint representation of facial geometry and appearance from a multiview…

Graphics · Computer Science 2018-08-02 Stephen Lombardi , Jason Saragih , Tomas Simon , Yaser Sheikh

We present a new distributed representation in deep neural nets wherein the information is represented in native form as a matrix. This differs from current neural architectures that rely on vector representations. We consider matrices as…

Machine Learning · Computer Science 2018-02-06 Kien Do , Truyen Tran , Svetha Venkatesh

Geometric, topological and graph theory modeling and analysis of biomolecules are of essential importance in the conceptualization of molecular structure, function, dynamics, and transport. On the one hand, geometric modeling provides…

Biomolecules · Quantitative Biology 2016-12-07 Kelin Xia , Guo-Wei Wei

We present a new approach for predictive modeling and its uncertainty quantification for mechanical systems, where coarse-grained models such as constitutive relations are derived directly from observation data. We explore the use of a…

Numerical Analysis · Mathematics 2020-06-24 Daniel Z. Huang , Kailai Xu , Charbel Farhat , Eric Darve
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