activity
20152025
most citedMachine Learning in Thermodynamics: Prediction of Activity Coefficients by Matrix Completion

107 citations · 188 across the 27 of their papers we have counts for

collaborators
Showing 2024Show all

8 papers · 1 filter

cs.LG2024★ 1 cited

FSP-Laplace: Function-Space Priors for the Laplace Approximation in Bayesian Deep Learning

Tristan Cinquin, Marvin Pförtner, Vincent Fortuin +2

Laplace approximations are popular techniques for endowing deep networks with epistemic uncertainty estimates as they can be applied without altering the predictions of the trained…

cs.LG2024★ 1 cited

Balancing Molecular Information and Empirical Data in the Prediction of Physico-Chemical Properties

Johannes Zenn, Dominik Gond, Fabian Jirasek +1

Predicting the physico-chemical properties of pure substances and mixtures is a central task in thermodynamics. Established prediction methods range from fully physics-based ab-ini…

cs.LG2024★ 1 cited

Verbalized Machine Learning: Revisiting Machine Learning with Language Models

Tim Z. Xiao, Robert Bamler, Bernhard Schölkopf +1

Motivated by the progress made by large language models (LLMs), we introduce the framework of verbalized machine learning (VML). In contrast to conventional machine learning (ML) m…

cs.LG2024

Regularized KL-Divergence for Well-Defined Function-Space Variational Inference in Bayesian neural networks

Tristan Cinquin, Robert Bamler

Bayesian neural networks (BNN) promise to combine the predictive performance of neural networks with principled uncertainty modeling important for safety-critical systems and decis…

stat.ML2024

Differentiable Annealed Importance Sampling Minimizes The Symmetrized Kullback-Leibler Divergence Between Initial and Target Distribution

Johannes Zenn, Robert Bamler

Differentiable annealed importance sampling (DAIS), proposed by Geffner & Domke (2021) and Zhang et al. (2021), allows optimizing over the initial distribution of AIS. In this pape…

cs.CL2024★ 1 cited

Your Finetuned Large Language Model is Already a Powerful Out-of-distribution Detector

Andi Zhang, Tim Z. Xiao, Weiyang Liu +2

We revisit the likelihood ratio between a pretrained large language model (LLM) and its finetuned variant as a criterion for out-of-distribution (OOD) detection. The intuition behi…