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Session-based recommendation is a practical recommendation task that predicts the next item based on an anonymous behavior sequence, and its performance relies heavily on the transition information between items in the sequence. The SOTA…

Information Retrieval · Computer Science 2022-04-06 Ansong Li

Drug target interaction (DTI) prediction is a cornerstone of computational drug discovery, enabling rational design, repurposing, and mechanistic insights. While deep learning has advanced DTI modeling, existing approaches primarily rely on…

Machine Learning · Computer Science 2025-11-05 Feng Jiang , Amina Mollaysa , Hehuan Ma , Tommaso Mansi , Junzhou Huang , Mangal Prakash , Rui Liao

Application of artificial intelligence (AI) has been ubiquitous in the growth of research in the areas of basic sciences. Frequent use of machine learning (ML) and deep learning (DL) based methodologies by researchers has resulted in…

Materials Science · Physics 2024-09-10 Shrimon Mukherjee , Madhusudan Ghosh , Partha Basuchowdhuri

Stochastic gradient descent (SGD) has been the dominant optimization method for training deep neural networks due to its many desirable properties. One of the more remarkable and least understood quality of SGD is that it generalizes…

Machine Learning · Computer Science 2020-07-03 Erhan Bilal

3D object detection has become an emerging task in autonomous driving scenarios. Previous works process 3D point clouds using either projection-based or voxel-based models. However, both approaches contain some drawbacks. The voxel-based…

Computer Vision and Pattern Recognition · Computer Science 2021-03-26 Qingdong He , Zhengning Wang , Hao Zeng , Yijun Liu , Shuaicheng Liu , Bing Zeng

Gradient Boosted Decision Trees (GBDTs) are widely used for building ranking and relevance models in search and recommendation. Considerations such as latency and interpretability dictate the use of as few features as possible to train…

Machine Learning · Statistics 2021-09-07 Cuize Han , Nikhil Rao , Daria Sorokina , Karthik Subbian

Combining dual-energy computed tomography (DECT) with positron emission tomography (PET) offers many potential clinical applications but typically requires expensive hardware upgrades or increases radiation doses on PET/CT scanners due to…

Medical Physics · Physics 2024-06-21 Siqi Li , Yansong Zhu , Benjamin A. Spencer , Guobao Wang

We present a highly efficient molecular dynamics scheme for calculating the concentration profile of dopants implanted in group-IV alloy, and III-V zinc blende structure materials. Our program incorporates methods for reducing computational…

Materials Science · Physics 2009-10-31 Keith M. Beardmore , Niels Gronbech-Jensen

Objective: Conventional event positioning algorithms in light-sharing PET detectors are often limited by edge effects and the impact of inter-crystal scattering (ICS). This study explores the feasibility of deep neural network (DNN)…

Medical Physics · Physics 2024-03-28 Francisco E Enriquez-Mier-y-Teran , Luping Zhou , Steven R Meikle , Andre Z Kyme

Process refinement to consistently produce high-quality material over a large area of the grown crystal, enabling various applications from optics crystals to quantum detectors, has long been a goal for diamond growth. Machine learning…

Computer Vision and Pattern Recognition · Computer Science 2024-04-15 Rohan Reddy Mekala , Elias Garratt , Matthias Muehle , Arjun Srinivasan , Adam Porter , Mikael Lindvall

We present a novel reconstruction algorithm based on a general cone-beam CT forward model which is capable of incorporating the blur and noise correlations that are exhibited in flat-panel CBCT measurement data. Specifically, the proposed…

Rumor detecting on microblogging platforms such as Sina Weibo is a crucial issue. Most existing rumor detecting algorithms require a lot of propagation data for model training, thus they do not have good detecting accuracy at the early…

Social and Information Networks · Computer Science 2018-06-19 Xiao Xiong , Bo Yang , Zhongfeng Kang

Model compression techniques are recently gaining explosive attention for obtaining efficient AI models for various real-time applications. Channel pruning is one important compression strategy and is widely used in slimming various DNNs.…

Computer Vision and Pattern Recognition · Computer Science 2021-09-09 Yi Guo , Huan Yuan , Jianchao Tan , Zhangyang Wang , Sen Yang , Ji Liu

Accurate prediction of drug-target interactions is critical for advancing drug discovery. By reducing time and cost, machine learning and deep learning can accelerate this laborious discovery process. In a novel approach, BarlowDTI, we…

Biomolecules · Quantitative Biology 2024-10-15 Maximilian G. Schuh , Davide Boldini , Annkathrin I. Bohne , Stephan A. Sieber

Purpose: Various dose calculation algorithms are available for radiation therapy for cancer patients. However, these algorithms are faced with the tradeoff between efficiency and accuracy. The fast algorithms are generally less accurate,…

Medical Physics · Physics 2020-07-01 Yixun Xing , Dan Nguyen , Weiguo Lu , Ming Yang , Steve Jiang

We address the problem of accelerating column generation (CG) for set-covering formulations via dual optimal inequalities (DOI). DOI use knowledge of the dual solution space to derive inequalities that might be violated by intermediate…

Optimization and Control · Mathematics 2020-01-09 Naveed Haghani , Claudio Contardo , Julian Yarkony

Current neural networks for predictions of molecular properties use quantum chemistry only as a source of training data. This paper explores models that use quantum chemistry as an integral part of the prediction process. This is done by…

Chemical Physics · Physics 2018-08-22 Haichen Li , Christopher Collins , Matteus Tanha , Geoffrey J. Gordon , David J. Yaron

The physical and chemical characteristics of cathodes used in batteries are derived from the lithium-ion phosphate cathodes crystalline arrangement, which is pivotal to the overall battery performance. Therefore, the correct prediction of…

Materials Science · Physics 2025-09-16 Yogesh Yadav , Sandeep K Yadav , Vivek Vijay , Ambesh Dixit

Projected Gradient Ascent (PGA) is the most commonly used optimization scheme in machine learning and operations research areas. Nevertheless, numerous studies and examples have shown that the PGA methods may fail to achieve the tight…

Machine Learning · Computer Science 2024-07-25 Qixin Zhang , Zongqi Wan , Zengde Deng , Zaiyi Chen , Xiaoming Sun , Jialin Zhang , Yu Yang

Recent work has shown that not only decision trees (DTs) may not be interpretable but also proposed a polynomial-time algorithm for computing one PI-explanation of a DT. This paper shows that for a wide range of classifiers, globally…

Artificial Intelligence · Computer Science 2021-06-24 Xuanxiang Huang , Yacine Izza , Alexey Ignatiev , Joao Marques-Silva