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Non--Contact Atomic Force Microscopy with CO--functionalized metal tips (referred to as HR-AFM) provides access to the internal structure of individual molecules adsorbed on a surface with totally unprecedented resolution. Previous works…

Climate models lack the necessary resolution for urban climate studies, requiring computationally intensive processes to estimate high resolution air temperatures. In contrast, Data-driven approaches offer faster and more accurate air…

大气与海洋物理 · 物理学 2024-09-05 Fatemeh Chajaei , Hossein Bagheri

A machine learning (ML) feature network is a graph that connects ML features in learning tasks based on their similarity. This network representation allows us to view feature vectors as functions on the network. By leveraging function…

机器学习 · 统计学 2024-01-11 Xinying Mu , Mark Kon

Procuring expressive molecular representations underpins AI-driven molecule design and scientific discovery. The research mainly focuses on atom-level homogeneous molecular graphs, ignoring the rich information in subgraphs or motifs.…

定量方法 · 定量生物学 2023-01-10 Fang Wu , Dragomir Radev , Stan Z. Li

Data association-based multiple object tracking (MOT) involves multiple separated modules processed or optimized differently, which results in complex method design and requires non-trivial tuning of parameters. In this paper, we present an…

计算机视觉与模式识别 · 计算机科学 2019-04-11 Peng Chu , Haibin Ling

Odor source localization is a fundamental challenge in molecular communication, environmental monitoring, disaster response, industrial safety, and robotics. In this study, we investigate three major approaches: Bayesian filtering, machine…

信号处理 · 电气工程与系统科学 2025-02-12 Ayse Sila Okcu , Ozgur B. Akan

Molecular representation learning plays a crucial role in AI-assisted drug discovery research. Encoding 3D molecular structures through Euclidean neural networks has become the prevailing method in the geometric deep learning community.…

机器学习 · 计算机科学 2023-03-29 Yiqun Wang , Yuning Shen , Shi Chen , Lihao Wang , Fei Ye , Hao Zhou

Accurate pathloss prediction is essential for the design and optimization of UAV-assisted millimeter-wave (mmWave) networks. While deep learning approaches have shown strong potential, their generalization across diverse environments,…

信号处理 · 电气工程与系统科学 2025-09-12 Sajjad Hussain

The design of high-entropy alloys (HEA) with desired properties is challenging due to their large compositional space. While various machine learning (ML) models can predict specific HEA solid-solution phases (SS), predicting high-entropy…

材料科学 · 物理学 2023-06-27 Jie Qi , Diego Ibarra Hoyos , S. Joseph Poon

Fine-grained object recognition concerns the identification of the type of an object among a large number of closely related sub-categories. Multisource data analysis, that aims to leverage the complementary spectral, spatial, and…

计算机视觉与模式识别 · 计算机科学 2019-01-23 Gencer Sumbul , Ramazan Gokberk Cinbis , Selim Aksoy

Finetuning from a pretrained deep model is found to yield state-of-the-art performance for many vision tasks. This paper investigates many factors that influence the performance in finetuning for object detection. There is a long-tailed…

计算机视觉与模式识别 · 计算机科学 2016-04-15 Wanli Ouyang , Xiaogang Wang , Cong Zhang , Xiaokang Yang

Context: Test smells are symptoms of sub-optimal design choices adopted when developing test cases. Previous studies have proved their harmfulness for test code maintainability and effectiveness. Therefore, researchers have been proposing…

Here we introduce the Olfactory Perception (OP) benchmark, designed to assess the capability of large language models (LLMs) to reason about smell. The benchmark contains 1,010 questions across eight task categories spanning odor…

Air quality forecasting has been regarded as the key problem of air pollution early warning and control management. In this paper, we propose a novel deep learning model for air quality (mainly PM2.5) forecasting, which learns the…

机器学习 · 计算机科学 2019-11-26 Shengdong Du , Tianrui Li , Yan Yang , Shi-Jinn Horng

With the rapid advances of image editing techniques in recent years, image manipulation detection has attracted considerable attention since the increasing security risks posed by tampered images. To address these challenges, a novel…

计算机视觉与模式识别 · 计算机科学 2022-11-08 Fengsheng Wang , Leyi Wei

With the widespread adoption of Large Language Models (LLMs), prompt injection attacks have emerged as a significant security threat. Existing defense mechanisms often face critical trade-offs between effectiveness and generalizability.…

计算与语言 · 计算机科学 2025-06-10 Yi Ji , Runzhi Li , Baolei Mao

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

机器学习 · 计算机科学 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

Extracting and binding salient information from different sensory modalities to determine common features in the environment is a significant challenge in robotics. Here we present MuPNet (Multi-modal Predictive Coding Network), a…

The prediction of odor characters is still impossible based on the odorant molecular structure. We designed a CNN-based regressor for computed parameters in molecular vibrations (CNN\_vib), in order to investigate the ability to predict…

化学物理 · 物理学 2025-09-23 Yuki Harada , Shuichi Maeda , Junwei Shen , Taku Misonou , Hirokazu Hori , Shinichiro Nakamura

Online knowledge distillation conducts knowledge transfer among all student models to alleviate the reliance on pre-trained models. However, existing online methods rely heavily on the prediction distributions and neglect the further…

计算机视觉与模式识别 · 计算机科学 2022-06-17 Panpan Zou , Yinglei Teng , Tao Niu