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

107 citations · 469 across the 35 of their papers we have counts for

collaborators
Showing 2022Show all

7 papers · 1 filter

stat.ML2022

Probabilistic Querying of Continuous-Time Event Sequences

Alex Boyd, Yuxin Chang, Stephan Mandt +1

Continuous-time event sequences, i.e., sequences consisting of continuous time stamps and associated event types ("marks"), are an important type of sequential data with many appli…

cs.LG2022

Predictive Querying for Autoregressive Neural Sequence Models

Alex Boyd, Sam Showalter, Stephan Mandt +1

In reasoning about sequential events it is natural to pose probabilistic queries such as "when will event A occur next" or "what is the probability of A occurring before B", with a…

physics.chem-ph2022

Making Thermodynamic Models of Mixtures Predictive by Machine Learning: Matrix Completion of Pair Interactions

Fabian Jirasek, Robert Bamler, Sophie Fellenz +4

Predictive models of thermodynamic properties of mixtures are paramount in chemical engineering and chemistry. Classical thermodynamic models are successful in generalizing over (c…

cs.LG2022★ 1 cited

Raising the Bar in Graph-level Anomaly Detection

Chen Qiu, Marius Kloft, Stephan Mandt +1

Graph-level anomaly detection has become a critical topic in diverse areas, such as financial fraud detection and detecting anomalous activities in social networks. While most rese…

cs.LG2022★ 8 cited

Detecting Anomalies within Time Series using Local Neural Transformations

Tim Schneider, Chen Qiu, Marius Kloft +4

We develop a new method to detect anomalies within time series, which is essential in many application domains, reaching from self-driving cars, finance, and marketing to medical d…

physics.chem-ph2022

Hybridizing Physical and Data-driven Prediction Methods for Physicochemical Properties

Fabian Jirasek, Robert Bamler, Stephan Mandt

We present a generic way to hybridize physical and data-driven methods for predicting physicochemical properties. The approach `distills' the physical method's predictions into a p…