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Until today, the exact function of mammalian odorant binding proteins (OBPs) remains a topic of debate. Although their main established function lacks direct evidence in human olfaction, OBPs are traditionally believed to act as odorant…

Biomolecules · Quantitative Biology 2025-07-08 Mifen Chen , Soufyan Lakbir , Mihyeon Jeon , Vojta Mazur , Sanne Abeln , Halima Mouhib

The growing demand for molecules with tailored properties in fields such as drug discovery and chemical engineering has driven advancements in computational methods for molecular design. Machine learning-based approaches for de-novo…

Machine Learning · Computer Science 2025-04-29 Nandan Joshi , Erhan Guven

We present a novel approach to neural response prediction that incorporates higher-order operations directly within convolutional neural networks (CNNs). Our model extends traditional 3D CNNs by embedding higher-order operations within the…

Computer Vision and Pattern Recognition · Computer Science 2025-05-13 Simone Azeglio , Victor Calbiague Garcia , Guilhem Glaziou , Peter Neri , Olivier Marre , Ulisse Ferrari

We present a novel multimodal language model approach for predicting molecular properties by combining chemical language representation with physicochemical features. Our approach, MULTIMODAL-MOLFORMER, utilizes a causal multistage feature…

Traditional machine learning methods for movement recognition often struggle with limited model interpretability and a lack of insight into human movement dynamics. This study introduces a novel representation learning framework based on…

Machine Learning · Computer Science 2025-07-01 Xingrui Gu , Chuyi Jiang , Erte Wang , Qiang Cui , Leimin Tian , Lianlong Wu , Siyang Song , Chuang Yu

Convolutional neural networks (CNNs) have recently been applied to predict or model fluid dynamics. However, mechanisms of CNNs for learning fluid dynamics are still not well understood, while such understanding is highly necessary to…

Fluid Dynamics · Physics 2021-04-06 Sangseung Lee , Donghyun You

It is well recognized that sensory perceptions and language have interconnections through numerous studies in psychology, neuroscience, and sensorial linguistics. Set in this rich context we ask whether the use of sensorial language in…

Computation and Language · Computer Science 2022-09-27 Osama Khalid , Padmini Srinivasan

Software systems naturally evolve, and this evolution often brings design problems that cause system degradation. Architectural smells are typical symptoms of such problems, and several of these smells are related to undesired dependencies…

Software Engineering · Computer Science 2018-08-21 J. Andrés Díaz-Pace , Antonela Tommasel , Daniela Godoy

Introduction: Computational modeling has rapidly advanced over the last decades, especially to predict molecular properties for chemistry, material science and drug design. Recently, machine learning techniques have emerged as a powerful…

Embeddings from contemporary natural language processing (NLP) models are commonly used as numerical representations for words or sentences. However, odor descriptor words, like "leather" or "fruity", vary significantly between their…

Machine Learning · Computer Science 2022-05-10 Laura Sisson

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…

Software Engineering · Computer Science 2022-08-17 Valeria Pontillo , Dario Amoroso d'Aragona , Fabiano Pecorelli , Dario Di Nucci , Filomena Ferrucci , Fabio Palomba

We present a convolutional network that is equivariant to rigid body motions. The model uses scalar-, vector-, and tensor fields over 3D Euclidean space to represent data, and equivariant convolutions to map between such representations.…

Machine Learning · Computer Science 2018-10-30 Maurice Weiler , Mario Geiger , Max Welling , Wouter Boomsma , Taco Cohen

In recent years, convolutional neural networks (CNNs) took over the field of document analysis and they became the predominant model for word spotting. Especially attribute CNNs, which learn the mapping between a word image and an attribute…

Computer Vision and Pattern Recognition · Computer Science 2019-03-27 Fabian Wolf , Philipp Oberdiek , Gernot A. Fink

The human brain encodes stimuli from the environment into representations that form a sensory perception of the world. Despite recent advances in understanding visual and auditory perception, olfactory perception remains an under-explored…

Machine Learning · Computer Science 2024-11-06 Farzaneh Taleb , Miguel Vasco , Antônio H. Ribeiro , Mårten Björkman , Danica Kragic

Emotional aspects play an important part in our interaction with music. However, modelling these aspects in MIR systems have been notoriously challenging since emotion is an inherently abstract and subjective experience, thus making it…

Sound · Computer Science 2019-07-09 Shreyan Chowdhury , Andreu Vall , Verena Haunschmid , Gerhard Widmer

Financial markets are difficult to predict due to its complex systems dynamics. Although there have been some recent studies that use machine learning techniques for financial markets prediction, they do not offer satisfactory performance…

Statistical Finance · Quantitative Finance 2022-01-31 Jia Wang , Tong Sun , Benyuan Liu , Yu Cao , Degang Wang

Robustness of convolutional neural networks (CNNs) has gained in importance on account of adversarial examples, i.e., inputs added as well-designed perturbations that are imperceptible to humans but can cause the model to predict…

Computer Vision and Pattern Recognition · Computer Science 2025-07-22 Tiange Luo , Tianle Cai , Mengxiao Zhang , Siyu Chen , Di He , Liwei Wang

Tracking mouse cursor movements can be used to predict user attention on heterogeneous page layouts like SERPs. So far, previous work has relied heavily on handcrafted features, which is a time-consuming approach that often requires domain…

Human-Computer Interaction · Computer Science 2020-06-03 Ioannis Arapakis , Luis A. Leiva

Molecular "fingerprints" encoding structural information are the workhorse of cheminformatics and machine learning in drug discovery applications. However, fingerprint representations necessarily emphasize particular aspects of the…

Machine Learning · Statistics 2016-08-26 Steven Kearnes , Kevin McCloskey , Marc Berndl , Vijay Pande , Patrick Riley

Predicting human motion in unstructured and dynamic environments is difficult as humans naturally exhibit complex behaviors that can change drastically from one environment to the next. In order to alleviate this issue, we propose to encode…

Robotics · Computer Science 2019-07-01 Philipp Kratzer , Marc Toussaint , Jim Mainprice