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Proteins and other macromolecules exist not in a single state but as dynamic ensembles of interconverting conformations, which are essential for catalysis, allosteric regulation, and molecular recognition. While AI-based structure…
Machine learning-based malware detection systems are often vulnerable to evasion attacks, in which a malware developer manipulates their malicious software such that it is misclassified as benign. Such software hides some properties of the…
Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…
Protein function and dynamics are closely related to its sequence and structure. However prediction of protein function and dynamics from its sequence and structure is still a fundamental challenge in molecular biology. Protein…
Modern therapeutic antibody design often involves composing multi-part assemblages of individual functional domains, each of which may be derived from a different source or engineered independently. While these complex formats can expand…
Machine learning may enable the automated generation of test oracles. We have characterized emerging research in this area through a systematic literature review examining oracle types, researcher goals, the ML techniques applied, how the…
It is a common belief that metamorphic proteins challenge the Anfinsen thermodynamic hypothesis (or dogma). Here we argue against this view aims to show that metamorphic proteins not just fulfill the Anfinsen dogma but also exhibit marginal…
Understanding how protein mutations affect protein-nucleic acid binding is critical for unraveling disease mechanisms and advancing therapies. Current experimental approaches are laborious, and computational methods remain limited in…
Protein function prediction is a pivotal task in drug discovery, significantly impacting the development of effective and safe therapeutics. Traditional machine learning models often struggle with the complexity and variability inherent in…
A test oracle serves as a criterion or mechanism to assess the correspondence between software output and the anticipated behavior for a given input set. In automated testing, black-box techniques, known for their non-intrusive nature in…
Currently, many verification algorithms are available to improve the reliability of software systems. Selecting the appropriate verification algorithm typically demands domain expertise and non-trivial manpower. An automated algorithm…
The rise of deep learning has marked significant progress in fields such as computer vision, natural language processing, and medical imaging, primarily through the adaptation of pre-trained models for specific tasks. Traditional…
We propose an electro-optic approach for transparent optical networking, in which frequency channels are actively transformed into any desired mapping in a wavelength-multiplexed environment. Based on electro-optic phase modulators and…
When nanoparticles (NPs) are introduced into a biological solution, layers of biomolecules form on their surface, creating a corona. Understanding how the structure of the protein evolves into the corona is essential for evaluating the…
Conformal Prediction (CP) is a widely used technique for quantifying uncertainty in machine learning models. In its standard form, CP offers probabilistic guarantees on the coverage of the true label, but it is agnostic to sensitive…
AFP Algorithm is a learning algorithm for Horn formulas. We show that it does not improve the complexity of AFP Algorithm, if after each negative counterexample more that just one refinements are performed. Moreover, a canonical normal form…
As protein folding is a NP-complete problem, artificial intelligence tools like neural networks and genetic algorithms are used to attempt to predict the 3D shape of an amino acids sequence. Underlying these attempts, it is supposed that…
Software fault prediction (SFP) is a critical task in software engineering, enabling early identification of faults in modules to improve software quality and reduce maintenance costs. This research investigates the combined effects of…
The capability of accurate prediction of protein functions and properties is essential in the biotechnology industry, e.g. drug development and artificial protein synthesis, etc. The main challenges of protein function prediction are the…
For formulas F of propositional calculus I introduce a "metavariable" MF and show how it can be used to define an algorithm for testing satisfiability. MF is a formula which is true/false under all possible truth assignments iff F is…