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Many molecular properties depend on 3D geometry, where non-covalent interactions, stereochemical effects, and medium- to long-range forces are determined by spatial distances and angles that cannot be uniquely captured by a 2D bond graph.…

Machine Learning · Computer Science 2026-01-21 Long D. Nguyen , Kelin Xia , Binh P. Nguyen

This paper proposes a novel paradigm for machine learning that moves beyond traditional parameter optimization. Unlike conventional approaches that search for optimal parameters within a fixed geometric space, our core idea is to treat the…

Machine Learning · Computer Science 2025-10-31 Di Zhang

Recent deep learning models can efficiently combine inputs from different modalities (e.g., images and text) and learn to align their latent representations, or to translate signals from one domain to another (as in image captioning, or…

Artificial Intelligence · Computer Science 2025-11-27 Benjamin Devillers , Léopold Maytié , Rufin VanRullen

We introduce a novel co-learning paradigm for manifolds naturally equipped with a group action, motivated by recent developments on learning a manifold from attached fibre bundle structures. We utilize a representation theoretic mechanism…

Machine Learning · Computer Science 2019-12-10 Yifeng Fan , Tingran Gao , Zhizhen Zhao

This work presents a novel algorithm for progressively adapting neural network architecture along the depth. In particular, we attempt to address the following questions in a mathematically principled way: i) Where to add a new capacity…

Machine Learning · Computer Science 2026-03-03 C G Krishnanunni , Tan Bui-Thanh , Clint Dawson

Network embedding is an effective technique to learn the low-dimensional representations of nodes in networks. Real-world networks are usually with multiplex or having multi-view representations from different relations. Recently, there has…

Machine Learning · Computer Science 2022-03-08 Qifan Wang , Yi Fang , Anirudh Ravula , Ruining He , Bin Shen , Jingang Wang , Xiaojun Quan , Dongfang Liu

As datasets used in scientific applications become more complex, studying the geometry and topology of data has become an increasingly prevalent part of the data analysis process. This can be seen for example with the growing interest in…

Algebraic Geometry · Mathematics 2024-03-22 Ezzeddine El Sai , Parker Gara , Markus J. Pflaum

The goal of multi-modal learning is to use complimentary information on the relevant task provided by the multiple modalities to achieve reliable and robust performance. Recently, deep learning has led significant improvement in multi-modal…

Computer Vision and Pattern Recognition · Computer Science 2018-11-05 Jaekyum Kim , Junho Koh , Yecheol Kim , Jaehyung Choi , Youngbae Hwang , Jun Won Choi

Many existing learning-based grasping approaches concentrate on a single embodiment, provide limited generalization to higher DoF end-effectors and cannot capture a diverse set of grasp modes. We tackle the problem of grasping using…

We present a novel online depth map fusion approach that learns depth map aggregation in a latent feature space. While previous fusion methods use an explicit scene representation like signed distance functions (SDFs), we propose a learned…

Computer Vision and Pattern Recognition · Computer Science 2021-06-09 Silvan Weder , Johannes L. Schönberger , Marc Pollefeys , Martin R. Oswald

Multiscale topology optimization (TO) of hyperelastic materials remains computationally prohibitive due to the repeated solution of microscale boundary value problems. In this work, we present a concurrent multiscale topology optimization…

Computational Engineering, Finance, and Science · Computer Science 2026-04-09 Asghar A. Jadoon , Aryan Tyagi , L. River Spencer , Reese E. Jones , Manuel K. Rausch , Ryan Alberdi , D. Thomas Seidl , Jan N. Fuhg

Unmanned aerial vehicles (UAVs) are pivotal for future 6G non-terrestrial networks, yet their high mobility creates a complex coupled optimization problem for beamforming and trajectory design. Existing numerical methods suffer from…

Signal Processing · Electrical Eng. & Systems 2026-04-20 Ruiqi Wang , Essra M. Ghoura , Omar Alhussein , Yuzhi Yang , Jing Ren , Shizhong Xu , Sami Muhaidat

Unsupervised representation learning methods are widely used for gaining insight into high-dimensional, unstructured, or structured data. In some cases, users may have prior topological knowledge about the data, such as a known cluster…

Machine Learning · Computer Science 2023-11-08 Edith Heiter , Robin Vandaele , Tijl De Bie , Yvan Saeys , Jefrey Lijffijt

Parametrizations of data manifolds in shape spaces can be computed using the rich toolbox of Riemannian geometry. This, however, often comes with high computational costs, which raises the question if one can learn an efficient neural…

Machine Learning · Computer Science 2023-09-04 Josua Sassen , Klaus Hildebrandt , Martin Rumpf , Benedikt Wirth

Traditional neural networks (multi-layer perceptrons) have become an important tool in data science due to their success across a wide range of tasks. However, their performance is sometimes unsatisfactory, and they often require a large…

Machine Learning · Statistics 2024-12-09 Gyu Min Kim , Jeong Min Jeon

The problem of linking functional connectomics to behavior is extremely challenging due to the complex interactions between the two distinct, but related, data domains. We propose a coupled manifold optimization framework which projects…

Machine Learning · Computer Science 2020-07-07 Niharika Shimona D'Souza , Mary Beth Nebel , Nicholas Wymbs , Stewart Mostofsky , Archana Venkataraman

We introduce a Bayesian model for inferring mixtures of subspaces of different dimensions. The key challenge in such a mixture model is specification of prior distributions over subspaces of different dimensions. We address this challenge…

Statistics Theory · Mathematics 2015-09-24 Brian St. Thomas , Lizhen Lin , Lek-Heng Lim , Sayan Mukherjee

Fitting an unknown number of hyperplanes to data is a fundamental yet challenging problem in machine learning, characterized by its non-convexity, non-differentiability, and unknown model order. Existing approaches often struggle with local…

Machine Learning · Computer Science 2026-05-28 Zhiqin Cheng , Yu Zhan , Mingjin Zhang , Lingbo Liu , Liang Lin

In the realm of multimodal data integration, feature alignment plays a pivotal role. This paper introduces an innovative approach to feature alignment that revolutionizes the fusion of multimodal information. Our method employs a novel…

Computer Vision and Pattern Recognition · Computer Science 2024-09-27 Jiahao Qin , Yitao Xu , Zong Lu , Xiaojun Zhang

We propose a deep autoencoder with graph topology inference and filtering to achieve compact representations of unorganized 3D point clouds in an unsupervised manner. Many previous works discretize 3D points to voxels and then use…

Computer Vision and Pattern Recognition · Computer Science 2020-02-19 Siheng Chen , Chaojing Duan , Yaoqing Yang , Duanshun Li , Chen Feng , Dong Tian