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Tandem mass spectrometry provides a high-throughput framework for identifying and quantifying proteins in complex biological samples. In computational proteomics, predicting peptide MS/MS spectra is a critical task, enabling downstream…
Protein retrieval, which targets the deconstruction of the relationship between sequences, structures and functions, empowers the advancing of biology. Basic Local Alignment Search Tool (BLAST), a sequence-similarity-based algorithm, has…
In this paper, we focus on addressing the challenges of detecting malicious attacks in networks by designing an advanced Explainable Intrusion Detection System (xIDS). The existing machine learning and deep learning approaches have…
Protein structure prediction is a challenging and unsolved problem in computer science. Proteins are the sequence of amino acids connected together by single peptide bond. The combinations of the twenty primary amino acids are the…
Enterprise-grade Intelligent Document Processing (IDP) systems support high-stakes workflows across finance, insurance, and healthcare. Early-phase system validation under limited budgets mandates uncovering diverse failure mechanisms,…
The Multi-Criteria Test Suite Minimization (MCTSM) problem aims to remove redundant test cases, guided by adequacy criteria such as code coverage or fault detection capability. However, current techniques either exhibit a high loss of fault…
Understanding protein solubility is essential for their functional applications. Computational methods for predicting protein solubility are crucial for reducing experimental costs and enhancing the efficiency and success rates of protein…
Supervised fine-tuning (SFT) is a standard approach for adapting large language models to specialized domains, yet its application to protein sequence modeling and protein language models (PLMs) remains ad hoc. This is in part because…
Propensity Score Matching (PSM) is a causal inference technique that is used as a substitution for experimental methods when it is not possible to implement them due to logistical and ethical concerns. By using a logistic classifier to…
Rapid progress in deep learning has spurred its application to bioinformatics problems including protein structure prediction and design. In classic machine learning problems like computer vision, progress has been driven by standardized…
Anomaly detection is a fundamental problem in domains such as healthcare, manufacturing, and cybersecurity. This thesis proposes new unsupervised methods for anomaly detection in both structured and streaming data settings. In the first…
Regularized least-squares approaches have been successfully applied to linear system identification. Recent approaches use quadratic penalty terms on the unknown impulse response defined by stable spline kernels, which control model space…
Accurately modeling the protein fitness landscapes holds great importance for protein engineering. Recently, due to their capacity and representation ability, pre-trained protein language models have achieved state-of-the-art performance in…
Predicting protein-protein interactions (PPIs) by learning informative representations from amino acid sequences is a challenging yet important problem in biology. Although various deep learning models in Siamese architecture have been…
Microarray gene expression data-based tumor classification is an active and challenging issue. In this paper, an integrated tumor classification framework is presented, which aims to exploit information in existing available samples, and…
We study the complexity of the problem of searching for a set of patterns that separate two given sets of strings. This problem has applications in a wide variety of areas, most notably in data mining, computational biology, and in…
Structured output prediction problems (e.g., sequential tagging, hierarchical multi-class classification) often involve constraints over the output label space. These constraints interact with the learned models to filter infeasible…
We present a modular, extensible likelihood framework for spectroscopic inference based on synthetic model spectra. The subtraction of an imperfect model from a continuously sampled spectrum introduces covariance between adjacent datapoints…
Nanopore resistive pulse sensors are emerging technologies for single-molecule protein sequencing. But they can hardly detect small post-translational modifications (PTMs) such as hydroxylation in single-molecule level. While a combination…
The problem of matching unlabelled point sets using Bayesian inference is considered. Two recently proposed models for the likelihood are compared, based on the Procrustes size-and-shape and the full configuration. Bayesian inference is…