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Accurate molecular property prediction is central to drug discovery, catalysis, and process design, yet real-world applications are often limited by small datasets. Molecular foundation models provide a promising direction by learning…

Machine Learning · Computer Science 2026-04-21 Karim K. Ben Hicham , Jan G. Rittig , Martin Grohe , Alexander Mitsos

Deep learning has shown impressive performance on challenging perceptual tasks and has been widely used in software to provide intelligent services. However, researchers found deep neural networks vulnerable to adversarial examples. Since…

Computer Vision and Pattern Recognition · Computer Science 2021-03-18 Haowen Liu , Ping Yi , Hsiao-Ying Lin , Jie Shi , Weidong Qiu

We study the generic fibre of the Hadamard product of linear spaces via matroid theory and tropical geometry. To do so, we introduce the flip product, a numerical invariant associated to a pair of matroids defined via the stable…

Combinatorics · Mathematics 2025-12-01 Oliver Clarke , Sean Dewar , Matteo Gallet , Georg Grasegger , Daniel Green Tripp , Ben Smith

There are many real-world knowledge based networked systems with multi-type interacting entities that can be regarded as heterogeneous networks including human connections and biological evolutions. One of the main issues in such networks…

Social and Information Networks · Computer Science 2019-11-05 Soheila Molaei , Hadi Zare , Hadi Veisi

Multi-satellite, multi-modality in-orbit fusion is a challenging task as it explores the fusion representation of complex high-dimensional data under limited computational resources. Deep neural networks can reveal the underlying…

Computer Vision and Pattern Recognition · Computer Science 2023-12-05 DaiXun Li , Weiying Xie , Yunsong Li , Leyuan Fang

Deep learning has been used to demonstrate end-to-end neural network learning for autonomous vehicle control from raw sensory input. While LiDAR sensors provide reliably accurate information, existing end-to-end driving solutions are mainly…

Robotics · Computer Science 2021-05-21 Zhijian Liu , Alexander Amini , Sibo Zhu , Sertac Karaman , Song Han , Daniela Rus

We address the challenging problem of deep representation learning--the efficient adaption of a pre-trained deep network to different tasks. Specifically, we propose to explore gradient-based features. These features are gradients of the…

Machine Learning · Computer Science 2020-04-14 Fangzhou Mu , Yingyu Liang , Yin Li

Modeling how humans interact with objects is crucial for AI to effectively assist or mimic human behaviors. Existing studies for learning such ability primarily focus on static human-object interaction (HOI) patterns, such as contact and…

Computer Vision and Pattern Recognition · Computer Science 2025-08-12 Hyeonwoo Kim , Sangwon Baik , Hanbyul Joo

This article introduces an algorithm for implicit High Dimensional Model Representation (HDMR) of the Bellman equation. This approximation technique reduces memory demands of the algorithm considerably. Moreover, we show that HDMR enables…

Optimization and Control · Mathematics 2012-10-03 Miroslav Pištěk

Deep learning is currently the subject of intensive study. However, fundamental concepts such as representations are not formally defined -- researchers "know them when they see them" -- and there is no common language for describing and…

Machine Learning · Computer Science 2015-09-30 David Balduzzi

Edge Artificial Intelligence (Edge AI) embeds intelligence directly into devices at the network edge, enabling real-time processing with improved privacy and reduced latency by processing data close to its source. This review systematically…

Machine Learning · Computer Science 2025-10-03 Mohamad Abou Ali , Fadi Dornaika

We use the well-known observation that the solutions of Jacobi's differential equation can be represented via non-oscillatory phase and amplitude functions to develop a fast algorithm for computing multi-dimensional Jacobi polynomial…

Numerical Analysis · Mathematics 2019-09-13 James Bremer , Qiyuan Pang , Haizhao Yang

The abstraction of 3D objects with simple geometric primitives like cuboids allows to infer structural information from complex geometry. It is important for 3D shape understanding, structural analysis and geometric modeling. We introduce a…

Computer Vision and Pattern Recognition · Computer Science 2025-02-05 Gregor Kobsik , Morten Henkel , Yanjiang He , Victor Czech , Tim Elsner , Isaak Lim , Leif Kobbelt

This work uniquely identifies and characterizes four prevalent multimodal model architectural patterns in the contemporary multimodal landscape. Systematically categorizing models by architecture type facilitates monitoring of developments…

Artificial Intelligence · Computer Science 2024-05-29 Shakti N. Wadekar , Abhishek Chaurasia , Aman Chadha , Eugenio Culurciello

Geometric Deep Learning techniques have become a transformative force in the field of Computer-Aided Design (CAD), and have the potential to revolutionize how designers and engineers approach and enhance the design process. By harnessing…

Computational Geometry · Computer Science 2025-07-08 Negar Heidari , Alexandros Iosifidis

Deep Learning has implemented a wide range of applications and has become increasingly popular in recent years. The goal of multimodal deep learning is to create models that can process and link information using various modalities. Despite…

Computer Vision and Pattern Recognition · Computer Science 2021-05-25 Jabeen Summaira , Xi Li , Amin Muhammad Shoib , Songyuan Li , Jabbar Abdul

We propose a real-time image matching framework, which is hybrid in the sense that it uses both hand-crafted features and deep features obtained from a well-tuned deep convolutional network. The matching problem, which we concentrate on, is…

Computer Vision and Pattern Recognition · Computer Science 2020-06-11 Alper Kaplan , Erdem Akagunduz

Designing metamaterials that carry out advanced computations poses a significant challenge. A powerful design strategy splits the problem into two steps: First, encoding the desired functionality in a discrete or tight-binding model, and…

Mesoscale and Nanoscale Physics · Physics 2025-09-03 Sima Zahedi Fard , Paolo Tiso , Parisa Omidvar , Marc Serra-Garcia

Despite tremendous progress in developing deep-learning-based weather forecasting systems, their design space, including the impact of different design choices, is yet to be well understood. This paper aims to fill this knowledge gap by…

We present a deep imitation learning framework for robotic bimanual manipulation in a continuous state-action space. A core challenge is to generalize the manipulation skills to objects in different locations. We hypothesize that modeling…

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