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Prior human parsing models are limited to parsing humans into classes pre-defined in the training data, which is not flexible to generalize to unseen classes, e.g., new clothing in fashion analysis. In this paper, we propose a new problem…

Computer Vision and Pattern Recognition · Computer Science 2021-05-10 Haoyu He , Jing Zhang , Bhavani Thuraisingham , Dacheng Tao

We introduce the Hierarchically Interacting Particle Neural Network (HIP-NN) to model molecular properties from datasets of quantum calculations. Inspired by a many-body expansion, HIP-NN decomposes properties, such as energy, as a sum over…

Machine Learning · Statistics 2018-04-04 Nicholas Lubbers , Justin S. Smith , Kipton Barros

The era of large-scale astronomical surveys demands innovative approaches for rapid and accurate analysis of extensive spectral data, and a promising direction in which to address this challenge is offered by machine learning. Here, we…

Most of the existing disease prediction methods in the field of medical image processing fall into two classes, namely image-to-category predictions and image-to-parameter predictions. Few works have focused on image-to-image predictions.…

Image and Video Processing · Electrical Eng. & Systems 2023-08-15 Yuhan Zhang , Kun Huang , Mingchao Li , Songtao Yuan , Qiang Chen

Machine learning in atomistic materials science has grown to become a powerful tool, with most approaches focusing on atomic arrangements, typically decomposed into local atomic environments. This approach, while well-suited for…

Materials Science · Physics 2025-03-12 Austin Zadoks , Antimo Marrazzo , Nicola Marzari

Semantic segmentation is a fundamental task in visual scene understanding. We focus on the supervised setting, where ground-truth semantic annotations are available. Based on knowledge about the high regularity of real-world scenes, we…

Computer Vision and Pattern Recognition · Computer Science 2023-11-16 Stamatis Alexandropoulos , Christos Sakaridis , Petros Maragos

In recent years, transfer learning gained particular interest in the field of vision and natural language processing. In the research field of vision, e.g., deep neural networks and transfer learning techniques achieve almost perfect…

Machine Learning · Computer Science 2019-06-05 Jens Schreiber

For short-term solar irradiance forecasting, the traditional point forecasting methods are rendered less useful due to the non-stationary characteristic of solar power. The amount of operating reserves required to maintain reliable…

Machine Learning · Computer Science 2023-08-02 Sakshi Mishra , Praveen Palanisamy

Predicting electronic energies, densities, and related chemical properties can facilitate the discovery of novel catalysts, medicines, and battery materials. By developing a physics-inspired equivariant neural network, we introduce a method…

Pre-trained Language Models have emerged as promising tools for predicting molecular properties, yet their development is in its early stages, necessitating further research to enhance their efficacy and address challenges such as…

Machine Learning · Computer Science 2023-10-24 Eduardo Soares , Akihiro Kishimoto , Emilio Vital Brazil , Seiji Takeda , Hiroshi Kajino , Renato Cerqueira

We introduce a new neural architecture and an unsupervised algorithm for learning invariant representations from temporal sequence of images. The system uses two groups of complex cells whose outputs are combined multiplicatively: one that…

Neural and Evolutionary Computing · Computer Science 2010-06-03 Karo Gregor , Yann LeCun

Deep learning is able to functionally simulate the human brain and thus, it has attracted considerable interest. Optics-assisted deep learning is a promising approach to improve the forward-propagation speed and reduce the power…

Signal Processing · Electrical Eng. & Systems 2020-09-08 Zhixing Lin , Shuqian Sun , Jose Azana , Wei Li , Ninghua Zhu , Ming Li

Machine-Learned Interatomic Potentials (MLIPs) require vast amounts of atomic structure data to learn forces and energies, and their performance continues to improve with training set size. Meanwhile, the even greater quantities of…

Chemical Physics · Physics 2025-12-09 Manasa Kaniselvan , Benjamin Kurt Miller , Meng Gao , Juno Nam , Daniel S. Levine

Agriculture is increasingly challenged by climate change, soil degradation, and resource depletion, and hence requires advanced data-driven crop classification and recommendation solutions. This work presents an explainable ensemble…

Satellite image analysis has important implications for land use, urbanization, and ecosystem monitoring. Deep learning methods can facilitate the analysis of different satellite modalities, such as electro-optical (EO) and synthetic…

Computer Vision and Pattern Recognition · Computer Science 2022-12-07 Marcel Hussing , Karen Li , Eric Eaton

The detailed analysis of molecular structures and properties holds great potential for drug development discovery through machine learning. Developing an emergent property in the model to understand molecules would broaden the horizons for…

Machine learning (ML) plays an important role in quantum chemistry, providing fast-to-evaluate predictive models for various properties of molecules. However, most existing ML models for molecular electronic properties use density…

Chemical Physics · Physics 2024-06-26 Hao Tang , Brian Xiao , Wenhao He , Pero Subasic , Avetik R. Harutyunyan , Yao Wang , Fang Liu , Haowei Xu , Ju Li

GNNs and chemical fingerprints are the predominant approaches to representing molecules for property prediction. However, in NLP, transformers have become the de-facto standard for representation learning thanks to their strong downstream…

Machine Learning · Computer Science 2020-10-26 Seyone Chithrananda , Gabriel Grand , Bharath Ramsundar

Deep Neural Network (DNN) has recently achieved outstanding performance in a variety of computer vision tasks, including facial attribute classification. The great success of classifying facial attributes with DNN often relies on a massive…

Computer Vision and Pattern Recognition · Computer Science 2018-05-04 Ni Zhuang , Yan Yan , Si Chen , Hanzi Wang , Chunhua Shen

Deep learning has been widely used for protein engineering. However, it is limited by the lack of sufficient experimental data to train an accurate model for predicting the functional fitness of high-order mutants. Here, we develop SESNet,…

Quantitative Methods · Quantitative Biology 2023-04-10 Mingchen Li , Liqi Kang , Yi Xiong , Yu Guang Wang , Guisheng Fan , Pan Tan , Liang Hong