Graph machine learning offers a powerful framework with natural applications in scientific fields such as chemistry, biology and material sciences.
By representing data as a graph, we encode the prior knowledge that the data is composed of a set of entiti ...
Atomic simulations using machine learning interatomic potential (MLIP) have gained a lot of popularity owing to their accuracy in comparison to conventional empirical potentials. However, the transferability of MLIP to systems outside the training set pose ...
Mechanisms used in privacy-preserving machine learning often aim to guarantee differential privacy (DP) during model training. Practical DP-ensuring training methods use randomization when fitting model parameters to privacy-sensitive data (e.g., adding Ga ...
The Linear Point (LP), defined as the mid-point between the baryon acoustic oscillation (BAO) peak and the associated left dip of the two-point correlation function (2PCF), xi(s), is proposed as a new standard ruler which is insensitive to non-linear effec ...
This article proposes methods to model non-stationary temporal graph processes motivated by a hospital interaction data set. This corresponds to modelling the observation of edge variables indicating interactions between pairs of nodes exhibiting dependenc ...
In this paper, we present a spatial branch and bound algorithm to tackle the continuous pricing problem, where demand is captured by an advanced discrete choice model (DCM). Advanced DCMs, like mixed logit or latent class models, are capable of modeling de ...
This paper presents the experimental validation of a linear recursive state estimation (SE) process for hybrid AC/DC microgrids proposed in the authors' previous work. The SE uses a unified and linear measurement model that relies on the use of synchronize ...
Years of a fierce competition have naturally selected the fittest deep learning algorithms. Yet, although these models work well in practice, we still lack a proper characterization of why they do so. This poses serious questions about the robustness, trus ...
We analyze the clustering of galaxies using the z = 1.006 snapshot of the CosmoDC2 simulation, a high-fidelity synthetic galaxy catalog designed to validate analysis methods for the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST). We prese ...
Modeling in neuroscience occurs at the intersection of different points of view and approaches. Typically, hypothesis-driven modeling brings a question into focus so that a model is constructed to investigate a specific hypothesis about how the system work ...
Since the 70s, there has been a growing interest in activity-based modelling. This approach models the need to travel as a result of performing daily activities (Bowman and Ben-Akiva, 2001). Nevertheless, the activities need to be scheduled which involves ...
