most citedPrediction of Activity Coefficients by Similarity-Based Imputation using Quantum-Chemical Descriptors

4 citations · 4 across the 3 of their papers we have counts for

collaborators

7 papers

cs.LG2025

Formally Exploring Time-Series Anomaly Detection Evaluation Metrics

Dennis Wagner, Arjun Nair, Billy Joe Franks +24

Undetected anomalies in time series can trigger catastrophic failures in safety-critical systems, such as chemical plant explosions or power grid outages. Although many detection m…

cs.LG2025

DiffStyleTS: Diffusion Model for Style Transfer in Time Series

Mayank Nagda, Phil Ostheimer, Justus Arweiler +13

Style transfer combines the content of one signal with the style of another. It supports applications such as data augmentation and scenario simulation, helping machine learning mo…

cs.CE2025

MLPROP -- an open interactive web interface for thermophysical property prediction with machine learning

Marco Hoffmann, Thomas Specht, Nicolas Hayer +2

Machine learning (ML) enables the development of powerful methods for predicting thermophysical properties with unprecedented scope and accuracy. However, technical barriers like c…

cs.CE2025

Using Large Language Models for Solving Thermodynamic Problems

Rebecca Loubet, Pascal Zittlau, Luisa Vollmer +5

Large Language Models (LLMs) have made significant progress in reasoning, demonstrating their capability to generate human-like responses. This study analyzes the problem-solving c…

cs.LG2025

GRAPPA -- A Hybrid Graph Neural Network for Predicting Pure Component Vapor Pressures

Marco Hoffmann, Hans Hasse, Fabian Jirasek

Although the pure component vapor pressure is one of the most important properties for designing chemical processes, no broadly applicable, sufficiently accurate, and open-source p…

physics.chem-ph2024

Modified UNIFAC 2.0 -- A Group-Contribution Method Completed with Machine Learning

Nicolas Hayer, Hans Hasse, Fabian Jirasek

Predicting thermodynamic properties of mixtures is a cornerstone of chemical engineering, yet conventional group-contribution (GC) methods like modified UNIFAC (Dortmund) remain li…