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The problem of determining whether a given quantum state is entangled lies at the heart of quantum information processing, which is known to be an NP-hard problem in general. Despite the proposed many methods such as the positive partial…

Quantum Physics · Physics 2018-07-18 Sirui Lu , Shilin Huang , Keren Li , Jun Li , Jianxin Chen , Dawei Lu , Zhengfeng Ji , Yi Shen , Duanlu Zhou , Bei Zeng

Fragment-Based Drug Discovery (FBDD) is a popular approach in early drug development, but designing effective linkers to combine disconnected molecular fragments into chemically and pharmacologically viable candidates remains challenging.…

Machine Learning · Computer Science 2025-09-24 Xuefeng Liu , Songhao Jiang , Qinan Huang , Tinson Xu , Ian Foster , Mengdi Wang , Hening Lin , Rick Stevens

In this paper, we propose a structured feature learning framework to reason the correlations among body joints at the feature level in human pose estimation. Different from existing approaches of modelling structures on score maps or…

Computer Vision and Pattern Recognition · Computer Science 2016-03-31 Xiao Chu , Wanli Ouyang , Hongsheng Li , Xiaogang Wang

Convergence bounds are one of the main tools to obtain information on the performance of a distributed machine learning task, before running the task itself. In this work, we perform a set of experiments to assess to which extent, and in…

Networking and Internet Architecture · Computer Science 2022-12-06 Francesco Malandrino , Carla Fabiana Chiasserini

Recent years have seen tremendous developments in the use of machine learning models to link amino acid sequence, structure and function of folded proteins. These methods are, however, rarely applicable to the wide range of proteins and…

Biomolecules · Quantitative Biology 2025-02-27 Sören von Bülow , Giulio Tesei , Kresten Lindorff-Larsen

Leveraging ab initio data at scale has enabled the development of machine learning models capable of extremely accurate and fast molecular property prediction. A central paradigm of many previous works focuses on generating predictions for…

Computational Physics · Physics 2022-11-30 Kirill Shmilovich , Devin Willmott , Ivan Batalov , Mordechai Kornbluth , Jonathan Mailoa , J. Zico Kolter

Deformable parts models show a great potential in tracking by principally addressing non-rigid object deformations and self occlusions, but according to recent benchmarks, they often lag behind the holistic approaches. The reason is that…

Computer Vision and Pattern Recognition · Computer Science 2016-05-13 Alan Lukežič , Luka Čehovin , Matej Kristan

Seeking effective neural networks is a critical and practical field in deep learning. Besides designing the depth, type of convolution, normalization, and nonlinearities, the topological connectivity of neural networks is also important.…

Computer Vision and Pattern Recognition · Computer Science 2020-08-20 Kun Yuan , Quanquan Li , Jing Shao , Junjie Yan

Motion planning for robots of high degrees-of-freedom (DOFs) is an important problem in robotics with sampling-based methods in configuration space C as one popular solution. Recently, machine learning methods have been introduced into…

Robotics · Computer Science 2019-11-21 Yiheng Han , Wang Zhao , Jia Pan , Zipeng Ye , Ran Yi , Yong-Jin Liu

Multi-robot navigation in unknown, structurally constrained, and GPS-denied environments presents a fundamental trade-off between global strategic foresight and local tactical agility, particularly under limited communication. Centralized…

Robotics · Computer Science 2025-10-13 Zihao Mao , Yunheng Wang , Yunting Ji , Yi Yang , Wenjie Song

Composition is an important feature of a specification language, as it enables the design of a complex system in terms of a product of its parts. Decomposition is equally important in order to reason about structural properties of a system.…

Logic in Computer Science · Computer Science 2022-07-05 Benjamin Lion , Farhad Arbab , Carolyn Talcott

Codebook-based beam selection is one approach for configuring millimeter wave communication links. The overhead required to reconfigure the transmit and receive beam pair, though, increases in highly dynamic vehicular communication systems.…

Signal Processing · Electrical Eng. & Systems 2024-04-18 Ibrahim Kilinc , Ryan M. Dreifuerst , Junghoon Kim , Robert W. Heath

Link prediction is one of the fundamental problems in network analysis. In many applications, notably in genetics, a partially observed network may not contain any negative examples of absent edges, which creates a difficulty for many…

Machine Learning · Statistics 2013-01-30 Yunpeng Zhao , Elizaveta Levina , Ji Zhu

The behaviour of many real-world phenomena can be modelled by nonlinear dynamical systems whereby a latent system state is observed through a filter. We are interested in interacting subsystems of this form, which we model by a set of…

Machine Learning · Computer Science 2017-02-20 Oliver M. Cliff , Mikhail Prokopenko , Robert Fitch

Inner product-based convolution has been a central component of convolutional neural networks (CNNs) and the key to learning visual representations. Inspired by the observation that CNN-learned features are naturally decoupled with the norm…

Computer Vision and Pattern Recognition · Computer Science 2018-04-24 Weiyang Liu , Zhen Liu , Zhiding Yu , Bo Dai , Rongmei Lin , Yisen Wang , James M. Rehg , Le Song

From the complex motions of robots to the oxygen binding of hemoglobin, the function of many mechanical systems depends on large, coordinated movements of their components. Such movements arise from a network of physical interactions in the…

Soft Condensed Matter · Physics 2019-06-21 Jason Z. Kim , Zhixin Lu , Danielle S. Bassett

Distance metric learning can be viewed as one of the fundamental interests in pattern recognition and machine learning, which plays a pivotal role in the performance of many learning methods. One of the effective methods in learning such a…

Machine Learning · Computer Science 2020-02-21 Mostafa Razavi Ghods , Mohammad Hossein Moattar , Yahya Forghani

In this paper, we aim at automatically searching an efficient network architecture for dense image prediction. Particularly, we follow the encoder-decoder style and focus on designing a connectivity structure for the decoder. To achieve…

Computer Vision and Pattern Recognition · Computer Science 2019-08-06 Huikai Wu , Junge Zhang , Kaiqi Huang

Methods for reconstructing the topology of complex networks from time-resolved observations of node dynamics are gaining relevance across scientific disciplines. Of biggest practical interest are methods that make no assumptions about…

Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…

Materials Science · Physics 2020-05-06 Conrad W. Rosenbrock , Eric R. Homer , Gábor Csányi , Gus L. W. Hart