Related papers: SHREC 2025: Protein surface shape retrieval includ…
Surface electromyography (sEMG) is a technology to assess muscle activation, which is an important component in applications related to diagnosis, treatment, progression assessment, and rehabilitation of specific individuals' conditions.…
Sequential Monte Carlo (SMC) methods are widely used to draw samples from intractable target distributions. Particle degeneracy can hinder the use of SMC when the target distribution is highly constrained or multimodal. As a motivating…
Similarity search is one of the most fundamental computations that are regularly performed on ever-increasing protein datasets. Scalability is of paramount importance for uncovering novel phenomena that occur at very large scales. We…
Surface crack segmentation poses a challenging computer vision task as background, shape, colour and size of cracks vary. In this work we propose optimized deep encoder-decoder methods consisting of a combination of techniques which yield…
Recent advancements in protein design have leveraged diffusion models to generate structural scaffolds, followed by a process known as protein inverse folding, which involves sequence inference on these scaffolds. However, these…
Spectroscopic properties of molecules holds great importance for the description of the molecular response under the effect of an UV/Vis electromagnetic radiation. Computationally expensive ab initio (e.g. MultiConfigurational SCF, Coupled…
Machine-learning algorithms offer immense possibilities in the development of several cognitive applications. In fact, large scale machine-learning classifiers now represent the state-of-the-art in a wide range of object…
Modern surveys with large sample sizes and growing mixed-type questionnaires require robust and scalable analysis methods. In this work, we consider recovering a mixed dataframe matrix, obtained by complex survey sampling, with entries…
This research proposes an effective vertical clustering strategy of 3D data in an elliptical helical shape based on 2D geometry. The clustering object is an elliptical cross-sectioned metal pipe which is been bended in to an elliptical…
Energy evaluation using fast Fourier transforms enables sampling billions of putative complex structures and hence revolutionized rigid protein-protein docking. However, in current methods efficient acceleration is achieved only in either…
Scene coordinate regression (SCR) methods have emerged as a promising area of research due to their potential for accurate visual localization. However, many existing SCR approaches train on samples from all image regions, including dynamic…
We propose an automated protocol for designing the energy landscape of a protein energy function by optimizing its parameters. The parameters are optimized so that not only the global minimum energy conformation becomes native-like, but…
Offline handwritten mathematical expression recognition is often considered much harder than its online counterpart due to the absence of temporal information. In order to take advantage of the more mature methods for online recognition and…
For many membrane proteins the determination of their topology remains a challenge for methods like X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy. Electron paramagnetic resonance (EPR) spectroscopy has evolved as…
Determining the physicochemical properties of a protein can reveal important insights in their structure, biological functions, stability, and interactions with other molecules. Although tools for computing properties of proteins already…
Predicting multiple functions labeled with Enzyme Commission (EC) numbers from the enzyme sequence is of great significance but remains a challenge due to its sparse multi-label classification nature, i.e., each enzyme is typically…
In recent years, there has been a surge in the development of 3D structure-based pre-trained protein models, representing a significant advancement over pre-trained protein language models in various downstream tasks. However, most existing…
We address recovery of the three-dimensional backbone structure of single polypeptide proteins from single-particle cryo-electron microscopy (Cryo-SPA) data. Cryo-SPA produces noisy tomographic projections of electrostatic potentials of…
Reconstructing the high-fidelity surface from multi-view images, especially sparse images, is a critical and practical task that has attracted widespread attention in recent years. However, existing methods are impeded by the memory…
In diffusion MRI (dMRI), a good sampling scheme is important for efficient acquisition and robust reconstruction. Diffusion weighted signal is normally acquired on single or multiple shells in q-space. Signal samples are typically…