相关论文: Prediction of peptide bonding affinity: kernel met…

Recent non-linear feature selection approaches employing greedy optimisation of Centred Kernel Target Alignment(KTA) exhibit strong results in terms of generalisation accuracy and sparsity. However, they are computationally prohibitive for…

We present a feature functional theory - binding predictor (FFT-BP) for the protein-ligand binding affinity prediction. The underpinning assumptions of FFT-BP are as follows: i) representability: there exists a microscopic feature vector…

Link prediction aims to uncover the underlying relationship behind networks, which could be utilized to predict the missing edges or identify the spurious edges, and attracts much attention from various fields. The key issue of link…

Deep learning has enjoyed tremendous success in a variety of applications but its application to quantile regressions remains scarce. A major advantage of the deep learning approach is its flexibility to model complex data in a more…

Parametric factor copula models typically work well in modeling multivariate dependencies due to their flexibility and ability to capture complex dependency structures. However, accurately estimating the linking copulas within these models…

In this paper, we establish minimax optimal rates of convergence for prediction in a semi-functional linear model that consists of a functional component and a less smooth nonparametric component. Our results reveal that the smoother…

Inspired by kernel methods that have been used extensively in achieving efficient facial animation retargeting, this paper presents a solution to retargeting facial animation in virtual character's face model based on the kernel projection…

We present TerraBind, a foundation model for protein-ligand structure and binding affinity prediction that achieves 26-fold faster inference than state-of-the-art methods while improving affinity prediction accuracy by $\sim$20\%. Current…

In presence of sparse noise we propose kernel regression for predicting output vectors which are smooth over a given graph. Sparse noise models the training outputs being corrupted either with missing samples or large perturbations. The…

Since the introduction of deep learning for solving partial differential equations (PDEs), there has been growing interest in real-time system responses, where the kernel function plays a key role. Physics-informed neural networks (PINNs),…

Semi-supervised learning by self-training heavily relies on pseudo-label selection (PLS). The selection often depends on the initial model fit on labeled data. Early overfitting might thus be propagated to the final model by selecting…

The affinity and specificity of protein-molecule binding directly impact functional outcomes, uncovering the mechanisms underlying biological regulation and signal transduction. Most deep-learning-based prediction approaches focus on…

Kernel-based subspace clustering, which addresses the nonlinear structures in data, is an evolving area of research. Despite noteworthy progressions, prevailing methodologies predominantly grapple with limitations relating to (i) the…

Solving nonlinear partial differential equations (PDEs) using kernel methods offers a compelling alternative to traditional numerical solvers. However, the performance of these methods strongly depends on the choice of kernel. In this work,…

Nonlinear similarity measures defined in kernel space, such as correntropy, can extract higher-order statistics of data and offer potentially significant performance improvement over their linear counterparts especially in non-Gaussian…

The reconstruction of smooth density fields from scattered data points is a procedure that has multiple applications in a variety of disciplines, including Lagrangian (particle-based) models of solute transport in fluids. In random walk…

In this paper, we propose a model averaging approach for addressing model uncertainty in the context of partial linear functional additive models. These models are designed to describe the relation between a response and mixed-types of…

In this article, we investigate posterior convergence of nonparametric binary and Poisson regression under possible model misspecification, assuming general stochastic process prior with appropriate properties. Our model setup and objective…

Blind deconvolution problems are severely ill-posed because neither the underlying signal nor the forward operator are not known exactly. Conventionally, these problems are solved by alternating between estimation of the image and kernel…

Machine learning based partial differential equations (PDEs) solvers have received great attention in recent years. Most progress in this area has been driven by deep neural networks such as physics-informed neural networks (PINNs) and…