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One of the main challenges in drug discovery is to find molecules that bind specifically and strongly to their target protein while having minimal binding to other proteins. By predicting binding affinity, it is possible to identify the…

Quantum Physics · Physics 2023-01-19 L. Domingo , M. Djukic , C. Johnson , F. Borondo

To understand the learning process in brains, biologically plausible algorithms have been explored by modeling the detailed neuron properties and dynamics. On the other hand, simplified multi-layer models of neural networks have shown great…

Neural and Evolutionary Computing · Computer Science 2019-09-06 Yuan Zeng , Zubayer Ibne Ferdous , Weixiang Zhang , Mufan Xu , Anlan Yu , Drew Patel , Xiaochen Guo , Yevgeny Berdichevsky , Zhiyuan Yan

Federated learning is a machine learning approach where multiple devices collaboratively learn with the help of a parameter server by sharing only their local updates. While gradient-based optimization techniques are widely adopted in this…

Machine Learning · Computer Science 2024-06-12 Ahmed Elbakary , Chaouki Ben Issaid , Mohammad Shehab , Karim Seddik , Tamer ElBatt , Mehdi Bennis

Curvature influences generalization, robustness, and how reliably neural networks respond to small input perturbations. Existing sharpness metrics are typically defined in parameter space (e.g., Hessian eigenvalues) and can be expensive,…

Machine Learning · Computer Science 2025-11-04 Jacob Poschl

This study presents a systematic machine learning approach for creating efficient hybrid models and discovering sorption uptake models in non-linear advection-diffusion-sorption systems. It demonstrates an effective method to train these…

Computational Engineering, Finance, and Science · Computer Science 2023-04-27 Vinicius V. Santana , Erbet Costa , Carine M. Rebello , Ana Mafalda Ribeiro , Chris Rackauckas , Idelfonso B. R. Nogueira

We introduce a new method for speeding up the inference of deep neural networks. It is somewhat inspired by the reduced-order modeling techniques for dynamical systems.The cornerstone of the proposed method is the maximum volume algorithm.…

Machine Learning · Computer Science 2020-11-26 Julia Gusak , Talgat Daulbaev , Evgeny Ponomarev , Andrzej Cichocki , Ivan Oseledets

As deep learning models and datasets rapidly scale up, network training is extremely time-consuming and resource-costly. Instead of training on the entire dataset, learning with a small synthetic dataset becomes an efficient solution.…

Machine Learning · Computer Science 2022-08-02 Zixuan Jiang , Jiaqi Gu , Mingjie Liu , David Z. Pan

In this paper we derive an efficient algorithm to learn the parameters of structured predictors in general graphical models. This algorithm blends the learning and inference tasks, which results in a significant speedup over traditional…

Machine Learning · Computer Science 2013-09-02 Tamir Hazan , Alexander Schwing , David McAllester , Raquel Urtasun

Image classification is a fundamental computer vision task and an important baseline for deep metric learning. In decades efforts have been made on enhancing image classification accuracy by using deep learning models while less attention…

Computer Vision and Pattern Recognition · Computer Science 2025-01-14 Yunfeng Zhao , Huiyu Zhou , Fei Wu , Xifeng Wu

Adaptive inference is a promising technique to improve the computational efficiency of deep models at test time. In contrast to static models which use the same computation graph for all instances, adaptive networks can dynamically adjust…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Hao Li , Hong Zhang , Xiaojuan Qi , Ruigang Yang , Gao Huang

We propose and show the efficacy of a new method to address generic inverse problems. Inverse modeling is the task whereby one seeks to determine the control parameters of a natural system that produce a given set of observed measurements.…

Machine Learning · Computer Science 2023-08-15 Gregory P. Spell , Simiao Ren , Leslie M. Collins , Jordan M. Malof

Quantum machine learning algorithms could provide significant speed-ups over their classical counterparts; however, whether they could also achieve good generalization remains unclear. Recently, two quantum perceptron models which give a…

Quantum Physics · Physics 2022-06-22 Mathieu Roget , Giuseppe Di Molfetta , Hachem Kadri

The digitization of different components of industry and inter-connectivity among indigenous networks have increased the risk of network attacks. Designing an intrusion detection system to ensure security of the industrial ecosystem is…

Machine Learning · Computer Science 2023-07-31 Anabia Sohail , Bibi Ayisha , Irfan Hameed , Muhammad Mohsin Zafar , Hani Alquhayz , Asifullah Khan

Behaviour cloning is a commonly used strategy for imitation learning and can be extremely effective in constrained domains. However, in cases where the dynamics of an environment may be state dependent and varying, behaviour cloning places…

Robotics · Computer Science 2019-09-19 Michael Burke , Yordan Hristov , Subramanian Ramamoorthy

The integration of Diffusion Models into Intelligent Transportation Systems (ITS) is a substantial improvement in the detection of accidents. We present a novel hybrid model integrating guidance classification with diffusion techniques. By…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Siva Sai , Saksham Gupta , Vinay Chamola , Rajkumar Buyya

Exact structured inference with neural network scoring functions is computationally challenging but several methods have been proposed for approximating inference. One approach is to perform gradient descent with respect to the output…

Computation and Language · Computer Science 2019-07-09 Lifu Tu , Kevin Gimpel

We present a framework to train a structured prediction model by performing smoothing on the inference algorithm it builds upon. Smoothing overcomes the non-smoothness inherent to the maximum margin structured prediction objective, and…

Machine Learning · Statistics 2019-02-11 Krishna Pillutla , Vincent Roulet , Sham M. Kakade , Zaid Harchaoui

This paper proposes a new enhanced model architecture to perform classification of lumbar spine degeneration with DICOM images while using a hybrid approach, integrating EfficientNet and VGG19 together with custom-designed components. The…

Computer Vision and Pattern Recognition · Computer Science 2025-11-19 Pandiyaraju V , Abishek Karthik , Jaspin K , Kannan A , Jaime Lloret

We propose a novel method to merge convolutional neural-nets for the inference stage. Given two well-trained networks that may have different architectures that handle different tasks, our method aligns the layers of the original networks…

Computer Vision and Pattern Recognition · Computer Science 2018-05-15 Yi-Min Chou , Yi-Ming Chan , Jia-Hong Lee , Chih-Yi Chiu , Chu-Song Chen

In scientific machine learning, regression networks have been recently applied to approximate solution maps (e.g., potential-ground state map of Schr\"odinger equation). In this paper, we aim to reduce the generalization error without…

Numerical Analysis · Mathematics 2021-02-16 Zhihan Li , Yuwei Fan , Lexing Ying