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Petri Clusius

Publications and source records attributed to Petri Clusius.

2 recordsLinked to original sources

phepy: Visual benchmarks and improvements for out-of-distribution detectors

Applying machine learning to increasingly high-dimensional problems with sparse or biased training data increases the risk that a model is used on inputs outside its training domain. For such out-of-distribution (OOD) inputs, the model can no longer make valid predictions, and its error is potentially unbounded. Since testing OOD detection methods on real-world datasets is complicated, we design a benchmark for OOD detection, which includes three novel and easily-visualisable toy examples. These simple examples provide direct and intuitive insight into whether the detector is able to detect (1) linear and (2) non-linear concepts and (3) identify thin in-distribution (ID) subspaces (needles) within high-dimensional spaces (haystacks). We use our benchmark to evaluate the performance of various methods from the literature. Since tactile examples of OOD inputs may benefit OOD detection, we also review several simple methods to synthesise OOD inputs for supervised training. We introduce two improvements, $t$-poking and OOD sample weighting, to make supervised detectors more precise at the ID-OOD boundary. This is especially important when conflicts between real ID and synthetic OOD sample blur the decision boundary. Finally, we provide recommendations for constructing and applying OOD detectors in machine learning.

cs.LG

Neural Network Emulator for Atmospheric Chemical ODE

Modeling atmospheric chemistry is complex and computationally intense. Given the recent success of Deep neural networks in digital signal processing, we propose a Neural Network Emulator for fast chemical concentration modeling. We consider atmospheric chemistry as a time-dependent Ordinary Differential Equation. To extract the hidden correlations between initial states and future time evolution, we propose ChemNNE, an Attention based Neural Network Emulator (NNE) that can model the atmospheric chemistry as a neural ODE process. To efficiently simulate the chemical changes, we propose the sinusoidal time embedding to estimate the oscillating tendency over time. More importantly, we use the Fourier neural operator to model the ODE process for efficient computation. We also propose three physical-informed losses to supervise the training optimization. To evaluate our model, we propose a large-scale chemical dataset that can be used for neural network training and evaluation. The extensive experiments show that our approach achieves state-of-the-art performance in modeling accuracy and computational speed.

cs.LG