Related papers: Positive-unlabeled convolutional neural networks f…
Many attempts have been done to extend the great success of convolutional neural networks (CNNs) achieved on high-end GPU servers to portable devices such as smart phones. Providing compression and acceleration service of deep learning…
Cryo-Electron Microscopy (cryo-EM) has emerged as a key technology to determine the structure of proteins, particularly large protein complexes and assemblies in recent years. A key challenge in cryo-EM data analysis is to automatically…
Self-supervised pretraining on unlabeled data followed by supervised fine-tuning on labeled data is a popular paradigm for learning from limited labeled examples. We extend this paradigm to the classical positive unlabeled (PU) setting,…
The exotic internal structure of polar topologies in multi-ferroic materials offers a rich landscape for materials science research. As the spatial scale of these entities are often sub-atomic in nature, aberration corrected transmission…
A crucial step in single particle analysis (SPA) of cryogenic electron microscopy (Cryo-EM), 2D classification and alignment takes a collection of noisy particle images to infer orientations and group similar images together. Averaging…
Cryogenic electron microscopy (cryo-EM) has become an enabling technology in drug discovery and in understanding molecular bases of disease by producing near-atomic resolution (less than 0.4 nm) 3D reconstructions of biological…
Single-particle cryo-electron microscopy (cryo-EM) is an emerging imaging modality capable of visualizing proteins and macro-molecular complexes at near-atomic resolution. The low electron-doses used to prevent sample radiation damage,…
PU learning refers to the classification problem in which only part of positive samples are labeled. Existing PU learning methods treat unlabeled samples equally. However, in many real tasks, from common sense or domain knowledge, some…
Positive-unlabeled (PU) learning addresses binary classification when only a set of labeled positives is available alongside a pool of unlabeled samples drawn from a mixture of positives and negatives. Existing PU methods typically require…
Cryo-electron microscopy (cryo-EM) has revolutionized experimental protein structure determination. Despite advances in high resolution reconstruction, a majority of cryo-EM experiments provide either a single state of the studied…
Accurate localization of proteins from fluorescence microscopy images is challenging due to the inter-class similarities and intra-class disparities introducing grave concerns in addressing multi-class classification problems. Conventional…
While Positive-Unlabeled (PU) learning is vital in many real-world scenarios, its application to graph data still remains under-explored. We unveil that a critical challenge for PU learning on graph lies on the edge heterophily, which…
The missing phase problem in X-ray crystallography is commonly solved using the technique of molecular replacement, which borrows phases from a previously solved homologous structure, and appends them to the measured Fourier magnitudes of…
We consider the problem of learning a binary classifier from only positive and unlabeled observations (called PU learning). Recent studies in PU learning have shown superior performance theoretically and empirically. However, most existing…
Accurate characterization of temperature-dependent thermoelectric properties (TEPs), such as thermal conductivity and the Seebeck coefficient, is essential for reliable modeling and efficient design of thermoelectric devices. However, their…
In the past decade, deep conditional generative models have revolutionized the generation of realistic images, extending their application from entertainment to scientific domains. Single-particle cryo-electron microscopy (cryo-EM) is…
Advances in imagery at atomic and near-atomic resolution, such as cryogenic electron microscopy (cryo-EM), have led to an influx of high resolution images of proteins and other macromolecular structures to data banks worldwide. Producing a…
Cryo-electron microscopy (cryo-EM) is a powerful technique for determining the structure of proteins and other macromolecular complexes at near-atomic resolution. In single particle cryo-EM, the central problem is to reconstruct the…
Different tasks in the computational pipeline of single-particle cryo-electron microscopy (cryo-EM) require enhancing the quality of the highly noisy raw images. To this end, we develop an efficient algorithm for signal enhancement of…
Constructing of molecular structural models from Cryo-Electron Microscopy (Cryo-EM) density volumes is the critical last step of structure determination by Cryo-EM technologies. Methods have evolved from manual construction by structural…