Related papers: Towards Mass Spectrum Analysis with ASP
Structural quantities such as order parameters and correlation functions are often employed to gain insight into the physical behavior and properties of condensed matter systems. While standard quantities for characterizing structure exist,…
We examine the practicality for a user of using Answer Set Programming (ASP) for representing logical formalisms. Our example is a formalism aiming at capturing causal explanations from causal information. We show the naturalness and…
Mass spectrometry provides a high-throughput approach to identify proteins in biological samples. A key step in the analysis of mass spectrometry data is to identify the peptide sequence that, most probably, gave rise to each observed…
The use of machine learning is becoming increasingly common in computational materials science. To build effective models of the chemistry of materials, useful machine-based representations of atoms and their compounds are required. We…
Our broader goal is to automatically translate English sentences into formulas in appropriate knowledge representation languages as a step towards understanding and thus answering questions with respect to English text. Our focus in this…
Answer Set Programming (ASP) is a powerful paradigm for non-monotonic reasoning. Recently, large language models (LLMs) have demonstrated promising capabilities in logical reasoning. Despite this potential, current evaluations of LLM…
Molecular property prediction (MPP) is a fundamental but challenging task in the computer-aided drug discovery process. More and more recent works employ different graph-based models for MPP, which have made considerable progress in…
Answer Set Programming (ASP) is a declarative programming paradigm. The intrinsic complexity of the evaluation of ASP programs makes the development of more effective and faster systems a challenging research topic. This paper reports on…
Answer Set Programming with Quantifiers ASP(Q) extends Answer Set Programming (ASP) to allow for declarative and modular modeling of problems from the entire polynomial hierarchy. The first implementation of ASP(Q), called qasp, was based…
This paper presents a new language called APSL for formally describing protocols to facilitate automated testing. Many real world communication protocols exchange messages whose structures are not trivial, e.g. they may consist of multiple…
Tandem Mass Spectrometry is a cornerstone technique for identifying unknown small molecules in fields such as metabolomics, natural product discovery and environmental analysis. However, certain aspects, such as the probabilistic…
We present a new method for analyzing multi--detector maps containing contributions from several components. Our method, based on matching the data to a model in the spectral domain, permits to estimate jointly the spatial power spectra of…
We address the problem of detecting the number of complex exponentials and estimating their parameters from a noisy signal using the Matrix Pencil (MP) method. We introduce the MP modes and present their informative spectral structure. We…
An approach based on answer set programming (ASP) is proposed in this paper for representing knowledge generated from natural language texts. Knowledge in a text is modeled using a Neo Davidsonian-like formalism, which is then represented…
We introduce a tensor-based clustering method to extract sparse, low-dimensional structure from high-dimensional, multi-indexed datasets. This framework is designed to enable detection of clusters of data in the presence of structural…
Feature model configuration can be supported on the basis of various types of reasoning approaches. Examples thereof are SAT solving, constraint solving, and answer set programming (ASP). Using these approaches requires technical expertise…
Antimicrobial peptides (AMPs) are promising therapeutic approaches against drug-resistant pathogens. Recently, deep generative models are used to discover new AMPs. However, previous studies mainly focus on peptide sequence attributes and…
The chemical sciences are producing an unprecedented amount of large, high-dimensional data sets containing chemical structures and associated properties. However, there are currently no algorithms to visualize such data while preserving…
The signal measured by an astronomical spectrometer may be due to radiation from a multi-component mixture of plasmas with a range of physical properties (e.g. temperature, Doppler velocity). Confusion between multiple components may be…
To address the increasing size and complexity of modern software systems, compositional verification separates the verification of single components from the verification of their composition. In architecture-based verification, the former…