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In this study, we explore how the combination of synthetic biology, neuroscience modeling, and neuromorphic electronic systems offers a new approach to creating an artificial system that mimics the natural sense of smell. We argue that a…

Neural and Evolutionary Computing · Computer Science 2025-08-04 Kevin Max , Larissa Sames , Shimeng Ye , Jan Steinkühler , Federico Corradi

In this paper we propose the use of the Word2vec algorithm in order to obtain odor perception embeddings (or smell embeddings), only using publicly available perfume descriptions. Besides showing meaningful similarity relationships among…

Computation and Language · Computer Science 2022-03-22 Janek Amann , Manex Agirrezabal

Despite the effectiveness of Convolutional Neural Networks (CNNs) for image classification, our understanding of the relationship between shape of convolution kernels and learned representations is limited. In this work, we explore and…

Computer Vision and Pattern Recognition · Computer Science 2016-11-30 Zhun Sun , Mete Ozay , Takayuki Okatani

SMILES is a linear representation of chemical structures which encodes the connection table, and the stereochemistry of a molecule as a line of text with a grammar structure denoting atoms, bonds, rings and chains, and this information can…

Machine Learning · Computer Science 2018-12-03 Arindam Paul , Dipendra Jha , Reda Al-Bahrani , Wei-keng Liao , Alok Choudhary , Ankit Agrawal

Given a scene, what is going to move, and in what direction will it move? Such a question could be considered a non-semantic form of action prediction. In this work, we present a convolutional neural network (CNN) based approach for motion…

Computer Vision and Pattern Recognition · Computer Science 2015-12-18 Jacob Walker , Abhinav Gupta , Martial Hebert

In this paper, we propose a convolutional layer inspired by optical flow algorithms to learn motion representations. Our representation flow layer is a fully-differentiable layer designed to capture the `flow' of any representation channel…

Computer Vision and Pattern Recognition · Computer Science 2019-08-05 AJ Piergiovanni , Michael S. Ryoo

We propose a novel skeleton-based representation for 3D action recognition in videos using Deep Convolutional Neural Networks (D-CNNs). Two key issues have been addressed: First, how to construct a robust representation that easily captures…

Computer Vision and Pattern Recognition · Computer Science 2018-07-19 Huy Hieu Pham , Louahdi Khoudour , Alain Crouzil , Pablo Zegers , Sergio A. Velastin

The mechanism by which odorants are recognized by olfactory receptors remains primarily unresolved. While charge transport is believed to play a significant role, its precise nature is still unclear. Here, we present a novel perspective by…

Chemical Physics · Physics 2025-06-30 Dominik Szczȩśniak , Ewa Drzazga-Szczȩśniak , Sabre Kais

Supervised machine learning models are trained with various molecular descriptors to predict infrared emission spectra of interstellar polycyclic aromatic hydrocarbons. We demonstrate that a feature importance analysis based on the random…

Astrophysics of Galaxies · Physics 2021-12-08 Zhisen Meng , Xiaosi Zhu , Peter Kovacs , Enwei Liang , Zhao Wang

Recent advances in machine learning have become increasingly popular in the applications of phase transitions and critical phenomena. By machine learning approaches, we try to identify the physical characteristics in the two-dimensional…

Disordered Systems and Neural Networks · Physics 2021-01-25 Shu Cheng , Fei He , Huai Zhang , Ka-Di Zhu , Yaolin Shi

This paper paper develops a theory-based, explainable deep learning convolutional neural network (CNN) classifier to predict the time-varying emotional response to music. We design novel CNN filters that leverage the frequency harmonics…

Sound · Computer Science 2024-08-15 Hortense Fong , Vineet Kumar , K. Sudhir

Predicting molecular properties (e.g., atomization energy) is an essential issue in quantum chemistry, which could speed up much research progress, such as drug designing and substance discovery. Traditional studies based on density…

Computational Physics · Physics 2019-08-20 Chengqiang Lu , Qi Liu , Chao Wang , Zhenya Huang , Peize Lin , Lixin He

In drug-discovery-related tasks such as virtual screening, machine learning is emerging as a promising way to predict molecular properties. Conventionally, molecular fingerprints (numerical representations of molecules) are calculated…

Machine Learning · Computer Science 2019-11-13 Shion Honda , Shoi Shi , Hiroki R. Ueda

We propose an object detection system that relies on a multi-region deep convolutional neural network (CNN) that also encodes semantic segmentation-aware features. The resulting CNN-based representation aims at capturing a diverse set of…

Computer Vision and Pattern Recognition · Computer Science 2015-09-25 Spyros Gidaris , Nikos Komodakis

A central goal of survey research is to collect robust and reliable data from respondents. However, despite researchers' best efforts in designing questionnaires, respondents may experience difficulty understanding questions' intent and…

Human-Computer Interaction · Computer Science 2020-11-16 Amanda Fernández-Fontelo , Pascal J. Kieslich , Felix Henninger , Frauke Kreuter , Sonja Greven

Inspired by the success of WaveNet in multi-subject speech synthesis, we propose a novel neural network based on causal convolutions for multi-subject motion modeling and generation. The network can capture the intrinsic characteristics of…

Graphics · Computer Science 2023-12-04 Shuaiying Hou , Congyi Wang , Wenlin Zhuang , Yu Chen , Yangang Wang , Hujun Bao , Jinxiang Chai , Weiwei Xu

Computer-aided molecular design (CAMD) studies quantitative structure-property relationships and discovers desired molecules using optimization algorithms. With the emergence of machine learning models, CAMD score functions may be replaced…

Computational Engineering, Finance, and Science · Computer Science 2023-12-07 Shiqiang Zhang , Juan S. Campos , Christian Feldmann , Frederik Sandfort , Miriam Mathea , Ruth Misener

Protein function does not solely depend on structure but often relies on dynamical transitions between distinct conformations. Despite this fact, our ability to characterize or predict protein dynamics is substantially less developed…

Statistical Mechanics · Physics 2026-05-08 Michael A. Sauer , Souvik Mondal , Brandon Neff , Sthitadhi Maiti , Matthias Heyden

Learning to forecast trajectories of intelligent agents has caught much more attention recently. However, it remains a challenge to accurately account for agents' intentions and social behaviors when forecasting, and in particular, to…

Computer Vision and Pattern Recognition · Computer Science 2025-03-11 Conghao Wong , Ziqian Zou , Beihao Xia , Xinge You

For an autonomous corridor following task where the environment is continuously changing, several forms of environmental noise prevent an automated feature extraction procedure from performing reliably. Moreover, in cases where pre-defined…

Robotics · Computer Science 2019-11-20 Vishnu Sashank Dorbala , A. H. Abdul Hafez , C. V. Jawahar