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To understand how genetic variants in human genomes manifest in phenotypes -- traits like height or diseases like asthma -- geneticists have sequenced and measured hundreds of thousands of individuals. Geneticists use this data to build…
This manuscript delves into the intersection of genomics and phenotypic prediction, focusing on the statistical innovation required to navigate the complexities introduced by noisy covariates and confounders. The primary emphasis is on the…
We present Connection-Aware Motif Sequencing (CamS), a graph-to-sequence representation that enables decoder-only Transformers to learn molecular graphs via standard next-token prediction (NTP). For molecular property prediction,…
We consider a statistical model for the problem of finding subgraphs with specified topology in an otherwise random graph. This task plays an important role in the analysis of social and biological networks. In these types of networks,…
Machine learning models for functional materials design require precise and informative representations of material systems. Common representations encode atomic composition and bonding but often do not include local coordination…
Design patterns (DPs) are recognised as a good practice in software development. However, the lack of appropriate documentation often hampers traceability, and their benefits are blurred among thousands of lines of code. Automatic methods…
We introduce a causal modeling framework that captures the input-output behavior of predictive models (e.g., machine learning models). The framework enables us to identify features that directly cause the predictions, which has broad…
For classification problems, feature extraction is a crucial process which aims to find a suitable data representation that increases the performance of the machine learning algorithm. According to the curse of dimensionality theorem, the…
Pre-trained vision foundation models have transformed many computer vision tasks. Despite their strong ability to learn discriminative and generalizable features crucial for out-of-distribution (OOD) detection, their impact on this task…
We consider the problem of distributed estimation of a Gaussian vector with linear observation model. Each sensor makes a scalar noisy observation of the unknown vector, quantizes its observation, maps it to a digitally modulated symbol,…
Handling missing values at test time is challenging for machine learning models, especially when aiming for both high accuracy and interpretability. Established approaches often add bias through imputation or excessive model complexity via…
We consider the problem of detecting abrupt changes in the distribution of a multi-dimensional time series, with limited computing power and memory. In this paper, we propose a new, simple method for model-free online change-point detection…
Recent years have witnessed unprecedented success achieved by deep learning models in the field of computer vision. However, their vulnerability towards carefully crafted adversarial examples has also attracted the increasing attention of…
Source-Free Object Detection (SFOD) has garnered much attention in recent years by eliminating the need of source-domain data in cross-domain tasks, but existing SFOD methods suffer from the Source Bias problem, i.e. the adapted model…
While Markov Random Fields (MRFs) are widely used in computer vision, they present a quite challenging inference problem. MRF inference can be accelerated by pre-processing techniques like Dead End Elimination (DEE) or QPBO-based approaches…
In data-mining applications, we are frequently faced with a large fraction of missing entries in the data matrix, which is problematic for most discriminant machine learning algorithms. A solution that we explore in this paper is the use of…
Training-free guidance methods for continuous data have seen an explosion of interest due to the fact that they enable foundation diffusion models to be paired with interchangable guidance models. Currently, equivalent guidance methods for…
A key task of data science is to identify relevant features linked to certain output variables that are supposed to be modeled or predicted. To obtain a small but meaningful model, it is important to find stochastically independent…
This work considers the task of representation learning on the attributed relational graph (ARG). Both the nodes and edges in an ARG are associated with attributes/features allowing ARGs to encode rich structural information widely observed…
Identifying a small molecule from its mass spectrum is the primary open problem in computational metabolomics. This is typically cast as information retrieval: an unknown spectrum is matched against spectra predicted computationally from a…