相关论文: Unsupervised feature recognition in single molecul…

The majority of Multi-Object Tracking (MOT) algorithms based on the tracking-by-detection scheme do not use higher order dependencies among objects or tracklets, which makes them less effective in handling complex scenarios. In this work,…

Deep convolutional networks have proven to be very successful in learning task specific features that allow for unprecedented performance on various computer vision tasks. Training of such networks follows mostly the supervised learning…

The specificity of molecular recognition is important to molecular self-organization. A prominent example is the biological cell where, within a highly crowded molecular environment, a myriad of different molecular receptor pairs recognize…

Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…

With the current ubiquity of deep learning methods to solve computer vision and remote sensing specific tasks, the need for labelled data is growing constantly. However, in many cases, the annotation process can be long and tedious…

Single particle tracking allows probing how biomolecules interact physically with their natural environments. A fundamental challenge when analysing recorded single particle trajectories is the inverse problem of inferring the physical…

Molecular Representation Learning is essential to solving many drug discovery and computational chemistry problems. It is a challenging problem due to the complex structure of molecules and the vast chemical space. Graph representations of…

We study pentanedithiol molecular junctions formed by means of the break-junction technique with a scanning tunneling microscope at low temperatures. Using inelastic electron tunneling spectroscopy and first-principles calculations, the…

We introduce a simple, fast, and easy to implement unsupervised learning algorithm for detecting different local environments on a single-particle level in colloidal systems. In this algorithm, we use a vector of standard bond-orientational…

Single molecule junctions exhibit dynamic structural configurations that strongly influence their electronic and thermoelectric properties. Here, we combine conductance (G) and Seebeck coefficient (S) measurements using the novel AC based…

Unsupervised multimodal change detection is a practical and challenging topic that can play an important role in time-sensitive emergency applications. To address the challenge that multimodal remote sensing images cannot be directly…

Predicting missing links between entities in a knowledge graph is a fundamental task to deal with the incompleteness of data on the Web. Knowledge graph embeddings map nodes into a vector space to predict new links, scoring them according…

Empirical data, on which deep learning relies, has substantial internal structure, yet prevailing theories often disregard this aspect. Recent research has led to the definition of structured data ensembles, aimed at equipping established…

Single-particle trajectories measured in microscopy experiments contain important information about dynamic processes undergoing in a range of materials including living cells and tissues. However, extracting that information is not a…

Protein contacts provide key information for the understanding of protein structure and function, and therefore contact prediction from sequences is an important problem. Recent research shows that some correctly predicted long-range…

Here presented a systematic study of superconductor-constriction-superconductor contacts realized by a break-junction technique in layered superconductors. Depending on the constriction transparency the tunneling and SnS-Andreev…

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation…

Autoencoding is a popular method in representation learning. Conventional autoencoders employ symmetric encoding-decoding procedures and a simple Euclidean latent space to detect hidden low-dimensional structures in an unsupervised way.…

Amphiphilic molecules spontaneously form self-assembled structures of various shapes depending on their molecular structures, the temperature, and other physical conditions. The functionalities of these structures are dictated by their…

Data clustering, the task of grouping observations according to their similarity, is a key component of unsupervised learning -- with real world applications in diverse fields such as biology, medicine, and social science. Often in these…