Related papers: Outlier-Detection for Reactive Machine Learned Pot…

In recent years the machine learning techniques have shown a great potential in various problems from a multitude of disciplines, including materials design and drug discovery. The high computational speed on the one hand and the accuracy…

Do expert-defined or diagnostically-labeled data groups align with clusters inferred through statistical modeling? If not, where do discrepancies between predefined labels and model-based groupings occur and why? In this work, we introduce…

As machine learning (ML) models are increasingly deployed in high-stakes domains, trustworthy uncertainty quantification (UQ) is critical for ensuring the safety and reliability of these models. Traditional UQ methods rely on specifying a…

On noisy intermediate-scale quantum (NISQ) devices, expectation values of many observables are obtained through sampling-based approximations to trace-like quantities. A central limitation of this approach is destructive cancellation under…

Machine Learning Interatomic Potentials (MLIPs) achieve near ab initio accuracy at a fraction of the cost of quantum-mechanical simulations, yet they remain prone to silent failures on out-of-distribution configurations, making principled…

In a network meta-analysis, some of the collected studies may deviate markedly from the others, for example having very unusual effect sizes. These deviating studies can be regarded as outlying with respect to the rest of the network and…

Real data often contain anomalous cases, also known as outliers. These may spoil the resulting analysis but they may also contain valuable information. In either case, the ability to detect such anomalies is essential. A useful tool for…

In the real world, a learning system could receive an input that is unlike anything it has seen during training. Unfortunately, out-of-distribution samples can lead to unpredictable behaviour. We need to know whether any given input belongs…

Wireless sensor networks usually comprise a large number of sensors monitoring changes in variables. These changes in variables represent changes in physical quantities. The changes can occur for various reasons; these reasons are…

Uncertainty Quantification (UQ) is crucial for ensuring the reliability of automated image segmentations in safety-critical domains like biomedical image analysis or autonomous driving. In segmentation, UQ generates pixel-wise uncertainty…

Uncertainty Quantification (UQ) is an important building block for the reliable use of neural networks in real-world scenarios, as it can be a useful tool in identifying faulty predictions. Speech emotion recognition (SER) models can suffer…

Bayesian uncertainty quantification (UQ) is of interest to industry and academia as it provides a framework for quantifying and reducing the uncertainty in computational models by incorporating available data. For systems with very high…

Modern multi-centre randomized controlled trials (MCRCTs) collect massive amounts of tabular data, and are monitored intensively for irregularities by humans. We began by empirically evaluating 6 modern machine learning-based outlier…

Deep learning has been shown to be highly effective for automatic modulation classification (AMC), which is a pivotal technology for next-generation cognitive communications. Yet, existing deep learning methods for AMC often lack robust…

Analyses in high energy physics aim to put the Standard Model---the commonly accepted theory---to test. For convincing conclusions, analysis methods are needed which offer an unambiguous comparison between data and theory while allowing…

Linear mixed models (LMMs) are a popular class of methods for analyzing longitudinal and clustered data. However, such models can be sensitive to outliers, and this can lead to biased inference on model parameters and inaccurate prediction…

Typical Bayesian approaches to OOD detection use epistemic uncertainty. Surprisingly from the Bayesian perspective, there are a number of methods that successfully use aleatoric uncertainty to detect OOD points (e.g. Hendryks et al. 2018).…

AutoEncoders (AEs) are commonly used for machine learning tasks due to their intrinsic learning ability. This unique characteristic can be capitalized for Outlier Detection (OD). However conventional AE-based methods face the issue of…

Deep neural networks (DNNs) are known to produce incorrect predictions with very high confidence on out-of-distribution (OOD) inputs. This limitation is one of the key challenges in the adoption of deep learning models in high-assurance…

With the sweeping digitalization of societal, medical, industrial, and scientific processes, sensing technologies are being deployed that produce increasing volumes of time series data, thus fueling a plethora of new or improved…