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Neural methods of molecule property prediction require efficient encoding of structure and property relationship to be accurate. Recent work using graph algorithms shows limited generalization in the latent molecule encoding space. We build…

Quantitative Methods · Quantitative Biology 2020-11-26 Prateeth Nayak , Andrew Silberfarb , Ran Chen , Tulay Muezzinoglu , John Byrnes

We present Laneformer, a conceptually simple yet powerful transformer-based architecture tailored for lane detection that is a long-standing research topic for visual perception in autonomous driving. The dominant paradigms rely on purely…

Computer Vision and Pattern Recognition · Computer Science 2022-03-21 Jianhua Han , Xiajun Deng , Xinyue Cai , Zhen Yang , Hang Xu , Chunjing Xu , Xiaodan Liang

Recent research suggests that systematic generalization in natural language understanding remains a challenge for state-of-the-art neural models such as Transformers and Graph Neural Networks. To tackle this challenge, we propose Edge…

Computation and Language · Computer Science 2021-12-02 Leon Bergen , Timothy J. O'Donnell , Dzmitry Bahdanau

Materials data, especially those related to high-temperature properties, pose significant challenges for machine learning models due to extreme skewness, wide feature ranges, modality, and complex relationships. While traditional models…

Materials Science · Physics 2025-09-22 Vahid Attari , Raymundo Arroyave

Deep-learning-based methods for different applications have been shown vulnerable to adversarial examples. These examples make deployment of such models in safety-critical tasks questionable. Use of deep neural networks as inverse problem…

Machine Learning · Computer Science 2020-02-28 Ankit Raj , Yoram Bresler , Bo Li

Recent research has challenged the necessity of complex deep learning architectures for time series forecasting, demonstrating that simple linear models can often outperform sophisticated approaches. Building upon this insight, we introduce…

Machine Learning · Computer Science 2024-10-30 Remi Genet , Hugo Inzirillo

We deal with interval parametric systems of linear equations and the goal is to solve such systems, which basically comes down to finding an enclosure for a parametric solution set. Obviously we want this enclosure to be as tight as…

Numerical Analysis · Mathematics 2025-10-07 Iwona Skalna , Milan Hladík

Molecular property prediction with deep learning has gained much attention over the past years. Owing to the scarcity of labeled molecules, there has been growing interest in self-supervised learning methods that learn generalizable…

Machine Learning · Computer Science 2023-09-04 Peizhen Bai , Xianyuan Liu , Haiping Lu

This paper attempts to analyze the effectiveness of deep learning for tabular data processing. It is believed that decision trees and their ensembles is the leading method in this domain, and deep neural networks must be content with…

Machine Learning · Computer Science 2021-12-08 Ivan Bondarenko

As more deep learning models are being applied in real-world applications, there is a growing need for modeling and learning the representations of neural networks themselves. An efficient representation can be used to predict target…

Machine Learning · Computer Science 2023-10-17 Yun Yi , Haokui Zhang , Rong Xiao , Nannan Wang , Xiaoyu Wang

Transformers have revolutionized machine learning with their simple yet effective architecture. Pre-training Transformers on massive text datasets from the Internet has led to unmatched generalization for natural language understanding…

Machine reading comprehension has aroused wide concerns, since it explores the potential of model for text understanding. To further equip the machine with the reasoning capability, the challenging task of logical reasoning is proposed.…

Computation and Language · Computer Science 2022-07-11 Fangzhi Xu , Jun Liu , Qika Lin , Yudai Pan , Lingling Zhang

Large pre-trained models, or foundation models, have shown impressive performance when adapted to a variety of downstream tasks, often out-performing specialized models. Hypernetworks, neural networks that generate some or all of the…

Machine Learning · Computer Science 2025-03-04 Jeffrey Gu , Serena Yeung-Levy

Deep neural networks, despite their success in numerous applications, often function without established theoretical foundations. In this paper, we bridge this gap by drawing parallels between deep learning and classical numerical analysis.…

Machine Learning · Computer Science 2023-10-04 Emanuele Zappala , Daniel Levine , Sizhuang He , Syed Rizvi , Sacha Levy , David van Dijk

Deep learning (DL) has transformed applications in a variety of domains, including computer vision, natural language processing, and tabular data analysis. The search for improved DL model accuracy has led practitioners to explore…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-01-10 Kabir Nagrecha

Time series forecasting is a critical and practical problem in many real-world applications, especially for industrial scenarios, where load forecasting underpins the intelligent operation of modern systems like clouds, power grids and…

Machine Learning · Computer Science 2025-06-17 Shaoyuan Huang , Tiancheng Zhang , Zhongtian Zhang , Xiaofei Wang , Lanjun Wang , Xin Wang

Real-world problems of operations research are typically high-dimensional and combinatorial. Linear programs are generally used to formulate and efficiently solve these large decision problems. However, in multi-period decision problems, we…

Machine Learning · Computer Science 2019-02-27 Wouter van Heeswijk , Han La Poutré

The recent impressive results of deep learning-based methods on computer vision applications brought fresh air to the research and industrial community. This success is mainly due to the process that allows those methods to learn…

Computer Vision and Pattern Recognition · Computer Science 2021-07-13 Keiller Nogueira , Jocelyn Chanussot , Mauro Dalla Mura , Jefersson A. dos Santos

Neural networks are one tool for approximating non-linear differential equations used in scientific computing tasks such as surrogate modeling, real-time predictions, and optimal control. PDE foundation models utilize neural networks to…

Machine Learning · Computer Science 2025-02-11 Elisa Negrini , Yuxuan Liu , Liu Yang , Stanley J. Osher , Hayden Schaeffer

Natural language processing (NLP) made an impressive jump with the introduction of Transformers. ChatGPT is one of the most famous examples, changing the perception of the possibilities of AI even outside the research community. However,…

Machine Learning · Computer Science 2023-07-06 Silas Alberti , Niclas Dern , Laura Thesing , Gitta Kutyniok
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