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Machine learning interatomic potentials (MLIPs) are routinely used to model diverse atomistic phenomena, yet parameterizing them to accurately capture solid-state phase transformations remains difficult. We present error metrics and…
Detecting anomalies over real-world datasets remains a challenging task. Data annotation is an intensive human labor problem, particularly in sequential datasets, where the start and end time of anomalies are not known. As a result, data…
Uncertainties from experiments and models render multi-modal difficulties in model calibrations. Bayesian inference and \textsc{mcmc} algorithm have been applied to obtain posterior distributions of model parameters upon uncertainty.…
Class-incremental learning (CIL) enables models to learn new classes progressively while preserving knowledge of previously learned ones. Recent advances in this field have shifted towards parameter-efficient fine-tuning techniques, with…
The performance of data fusion and tracking algorithms often depends on parameters that not only describe the sensor system, but can also be task-specific. While for the sensor system tuning these variables is time-consuming and mostly…
Some imitation learning methods combine behavioural cloning with self-supervision to infer actions from state pairs. However, most rely on a large number of expert trajectories to increase generalisation and human intervention to capture…
The composite likelihood (CL) is amongst the computational methods used for estimation of the generalized linear mixed model (GLMM) in the context of bivariate meta-analysis of diagnostic test accuracy studies. Its advantage is that the…
Class Incremental Learning (CIL) based on pre-trained models offers a promising direction for open-world continual learning. Existing methods typically rely on correlation-based strategies, where an image's classification feature is used as…
We describe a method for parameter estimation in bipartite probabilistic graphical models for joint prediction of clinical conditions from the electronic medical record. The method does not rely on the availability of gold-standard labels,…
Composed Image Retrieval (CIR) is a complex task that aims to retrieve images based on a multimodal query. Typical training data consists of triplets containing a reference image, a textual description of desired modifications, and the…
Change point detection has become an important part of the analysis of the single-particle tracking data, as it allows one to identify moments, in which the motion patterns of observed particles undergo significant changes. The segmentation…
Predicting patient features from single-cell data can help identify cellular states implicated in health and disease. Linear models and average cell type expressions are typically favored for this task for their efficiency and robustness,…
Experimentally observed networks of interacting dynamical systems are inferred from recorded multivariate time series by evaluating a statistical measure of dependence, usually the cross-correlation coefficient, or mutual information. These…
In many fields, researchers are interested in large and complex biological processes. Two important examples are gene expression and DNA methylation in genetics. One key problem is to identify aberrant patterns of these processes and…
In the last years, the weakly supervised paradigm of multiple instance learning (MIL) has become very popular in many different areas. A paradigmatic example is computational pathology, where the lack of patch-level labels for whole-slide…
In large-scale few-shot learning for classification problems, often there are a large number of classes and few high-dimensional observations per class. Previous model-based methods, such as Fisher's linear discriminant analysis (LDA),…
Designing crystal materials with desired physicochemical properties remains a fundamental challenge in materials science. While large language models (LLMs) have demonstrated strong in-context learning (ICL) capabilities, existing LLM-based…
In this article, a novel identification test is proposed, which can be applied to parameteric models such as Mixture of Normal (MN) distributions, Markow Switching(MS), or Structural Autoregressive (SVAR) models. In the approach, it is…
To interpret molecular dynamics simulations of biomolecular systems, systematic dimensionality reduction methods are commonly employed. Among others, this includes principal component analysis (PCA) and time-lagged independent component…
Experience in the physical sciences suggests that the only realistic means of understanding complex systems is through the use of mathematical models. Typically, this has come to mean the identification of quantitative models expressed as…