相关论文: Mol-PECO: a deep learning model to predict human o…

Objectives: Timely and accurate detection of colorectal polyps plays a crucial role in diagnosing and preventing colorectal cancer, a major cause of mortality worldwide. This study introduces a new, lightweight, and efficient framework for…

Deep Metric Learning algorithms aim to learn an efficient embedding space to preserve the similarity relationships among the input data. Whilst these algorithms have achieved significant performance gains across a wide plethora of tasks,…

In real-world recommender systems, such as in the music domain, repeat consumption is a common phenomenon where users frequently listen to a small set of preferred songs or artists repeatedly. The key point of modeling repeat consumption is…

Learning from data has led to paradigm shifts in a multitude of disciplines, including web, text, and image search, speech recognition, as well as bioinformatics. Can machine learning enable similar breakthroughs in understanding quantum…

Natural odor environments present turbulent and dynamic conditions, causing chemical signals to fluctuate in space, time, and intensity. While many species have evolved highly adaptive behavioral responses to such variability, the emerging…

Existing deep embedding methods in vision tasks are capable of learning a compact Euclidean space from images, where Euclidean distances correspond to a similarity metric. To make learning more effective and efficient, hard sample mining is…

Recent advances in scanning transmission electron and scanning probe microscopies have opened exciting opportunities in probing the materials structural parameters and various functional properties in real space with angstrom-level…

We present a variational autoencoder framework for learning and generating configurations of structured polymer globules from distance matrices. We used coarse-grained molecular dynamics to sample polyethylene structures, which we used as…

Deep-predictive-coding networks (DPCNs) are hierarchical, generative models. They rely on feed-forward and feed-back connections to modulate latent feature representations of stimuli in a dynamic and context-sensitive manner. A crucial…

Purpose: To determine whether deep learning models can distinguish between breast cancer molecular subtypes based on dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI). Materials and methods: In this institutional review…

Identifying molecules from mass spectrometry (MS) data remains a fundamental challenge due to the semantic gap between physical spectral peaks and underlying chemical structures. Existing deep learning approaches often treat spectral…

Machine-learning (ML) has become a key workhorse in molecular simulations. Building an ML model in this context, involves encoding the information of chemical environments using local atomic descriptors. In this work, we focus on the Smooth…

Encoding the electronic structure of molecules using 2-electron reduced density matrices (2RDMs) as opposed to many-body wave functions has been a decades-long quest as the 2RDM contains sufficient information to compute the exact molecular…

The concept of molecular similarity appears in many machine-learning algorithms based on the assumption that molecules with similar representations will also share similar properties. In this work, we propose a new way to study similarity…

The study of aerosol formation and chemistry using machine learning is limited by the lack of molecular descriptors suited to atmospheric compounds. Interpretable models are particularly affected because they often rely on dictionary-based…

Molecule and text representation learning has gained increasing interest due to its potential for enhancing the understanding of chemical information. However, existing models often struggle to capture subtle differences between molecules…

In this paper, we present a system that employs a wearable acoustic sensor and a deep convolutional neural network for detecting coughs. We evaluate the performance of our system on 14 healthy volunteers and compare it to that of other…

Pneumothorax is a critical condition that requires timely communication and immediate action. In order to prevent significant morbidity or patient death, early detection is crucial. For the task of pneumothorax detection, we study the…

In this paper we introduce the deep kernelized autoencoder, a neural network model that allows an explicit approximation of (i) the mapping from an input space to an arbitrary, user-specified kernel space and (ii) the back-projection from…

Spatial pyramid pooling module or encode-decoder structure are used in deep neural networks for semantic segmentation task. The former networks are able to encode multi-scale contextual information by probing the incoming features with…