247 citations · 318 across the 7 of their papers we have counts for
7 papers
ScoringBench: A Benchmark for Evaluating Tabular Foundation Models with Proper Scoring Rules
Jonas Landsgesell, Pascal Knoll, Tizian Wenzel
Tabular foundation models such as TabPFN, TabICL, ExaOneTabular, and Nori already produce full predictive distributions, yet prevailing regression benchmarks evaluate them almost e…
Distributional Regression with Tabular Foundation Models: Evaluating Probabilistic Predictions via Proper Scoring Rules
Jonas Landsgesell, Pascal Knoll, Tizian Wenzel
We study how the objective used to train or fine-tune a tabular foundation model affects its distributional predictions. Models such as TabPFN and TabICL provide forecasts of the f…
Joint Optimization of Neural Autoregressors via Scoring rules
Jonas Landsgesell
Non-parametric distributional regression has achieved significant milestones in recent years. Among these, the Tabular Prior-Data Fitted Network (TabPFN) has demonstrated state-of-…
Cell Model Approaches for Predicting the Swelling and Mechanical Properties of Polyelectrolyte Gels
Jonas Landsgesell, Christian Holm
We present two successive mean-field approximations for describing the mechanical properties and the swelling equilibrium of polyelectrolyte gels in contact with a salt solution. T…
Modeling Gel Swelling Equilibrium in Mean-Field: From explicit Models to Poisson-Boltzmann
Jonas Landsgesell, David Sean, Patrick Kreissl +2
We develop a double mean-field theory for charged macrogels immersed in electrolyte solutions in the spirit of the cell model approach. We first demonstrate that the equilibrium sa…
ESPResSo 4.0 -- An Extensible Software Package for Simulating Soft Matter Systems
Florian Weik, Rudolf Weeber, Kai Szuttor +7
ESPResSo 4.0 is an extensible simulation package for research on soft matter. This versatile molecular dynamics program was originally developed for coarse-grained simulations of c…
Simulation of weak polyelectrolytes: A comparison between the constant pH and the reaction ensemble method
Jonas Landsgesell, Jens Smiatek, Christian Holm
The reaction ensemble and the constant pH method are well-known chemical equilibrium approaches to simulate protonation and deprotonation reactions in classical molecular dynamics…