Michael Riis Andersen

Laurits Fredsgaard, Aaron Thomas, Michael Riis Andersen et al.

Autoregressive graph generators define likelihoods via a sequential construction process, but these likelihoods are only meaningful if they are consistent across all linearizations of the same graph. Segmented Eulerian Neighborhood Trails (SENT), a recent linearization method, converts graphs into sequences that can be perfectly decoded and efficiently processed by language models, but admit multiple equivalent linearizations of the same graph. We quantify violations in assigned negative log-likelihood (NLL) using the coefficient of variation across equivalent linearizations, which we call Linearization Uncertainty (LU). Training transformers under four linearization strategies on two datasets, we show that biased orderings achieve lower NLL on their native order but exhibit expected calibration error (ECE) two orders of magnitude higher under random permutation, indicating that these models have learned their training linearization rather than the underlying graph. On the molecular graph benchmark QM9, NLL for generated graphs is negatively correlated with molecular stability (AUC $=0.43$), while LU achieves AUC $=0.85$, suggesting that permutation-based evaluation provides a more reliable quality check for generated molecules. Code is available at https://github.com/lauritsf/linearization-uncertainty

Maxim Khomiakov, Michael Riis Andersen, Jes Frellsen

In geospatial planning, it is often essential to represent objects in a vectorized format, as this format easily translates to downstream tasks such as web development, graphics, or design. While these problems are frequently addressed using semantic segmentation, which requires additional post-processing to vectorize objects in a non-trivial way, we present an Image-to-Sequence model that allows for direct shape inference and is ready for vector-based workflows out of the box. We demonstrate the model's performance in various ways, including perturbations to the image input that correspond to variations or artifacts commonly encountered in remote sensing applications. Our model outperforms prior works when using ground truth bounding boxes (one object per image), achieving the lowest maximum tangent angle error.

Mikkel Jordahn, Jonas Vestergaard Jensen, James Harrison et al.

Uncertainty quantification (UQ) in deep learning regression is of wide interest, as it supports critical applications including sequential decision making and risk-sensitive tasks. In heteroskedastic regression, where the uncertainty of the target depends on the input, a common approach is to train a neural network that parameterizes the mean and the variance of the predictive distribution. Still, training deep heteroskedastic regression models poses practical challenges in the trade-off between uncertainty quantification and mean prediction, such as optimization difficulties, representation collapse, and variance overfitting. In this work we identify previously undiscussed fallacies and propose a simple and efficient procedure that addresses these challenges jointly by post-hoc fitting a variance model across the intermediate layers of a pretrained network on a hold-out dataset. We demonstrate that our method achieves on-par or state-of-the-art uncertainty quantification on several molecular graph datasets, without compromising mean prediction accuracy and remaining cheap to use at prediction time.

Maxim Khomiakov, Michael Riis Andersen, Jes Frellsen

In remote sensing there exists a common need for learning scale invariant shapes of objects like buildings. Prior works relies on tweaking multiple loss functions to convert segmentation maps into the final scale invariant representation, necessitating arduous design and optimization. For this purpose we introduce the GeoFormer, a novel architecture which presents a remedy to the said challenges, learning to generate multipolygons end-to-end. By modeling keypoints as spatially dependent tokens in an auto-regressive manner, the GeoFormer outperforms existing works in delineating building objects from satellite imagery. We evaluate the robustness of the GeoFormer against former methods through a variety of parameter ablations and highlight the advantages of optimizing a single likelihood function. Our study presents the first successful application of auto-regressive transformer models for multi-polygon predictions in remote sensing, suggesting a promising methodological alternative for building vectorization.