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Transfer learning has become the dominant paradigm for many natural language processing tasks. In addition to models being pretrained on large datasets, they can be further trained on intermediate (supervised) tasks that are similar to the…

Tree ensemble algorithms as RandomForest and GradientBoosting are currently the dominant methods for modeling discrete or tabular data, however, they are unable to perform a hierarchical representation learning from raw data as…

Scintillator-SiPM Particle Detectors (SSPDs) are compact, low-power devices with applications including particle physics, underground tomography, cosmic-ray studies, and space instrumentation. They are based on a prism-shaped scintillator…

Multi-layered representation is believed to be the key ingredient of deep neural networks especially in cognitive tasks like computer vision. While non-differentiable models such as gradient boosting decision trees (GBDTs) are the dominant…

Stochastic learning to rank (LTR) is a recent branch in the LTR field that concerns the optimization of probabilistic ranking models. Their probabilistic behavior enables certain ranking qualities that are impossible with deterministic…

Graph neural networks (GNNs) are powerful models that have been successful in various graph representation learning tasks. Whereas gradient boosted decision trees (GBDT) often outperform other machine learning methods when faced with…

High-level triggering is a vital component in many modern particle physics experiments. This paper describes a modification to the standard boosted decision tree (BDT) classifier, the so-called "bonsai" BDT, that has the following important…

We report on a new algorithm for detection of crystallographic information in 3D, as retained in Atom Probe Tomography (APT), with improved robustness and signal detection performance. The algorithm is underpinned by 1D distribution…

In this study, we propose a fast implementation of a Maximum Likelihood Positioning (MLP) algorithm to estimate the energy and identify the active scintillator pixel in staggered layer scintillation detectors for PET. The staggered layer…

Precise probabilistic information about drug-target interaction (DTI) predictions is vital for understanding limitations and boosting predictive performance. Gaussian processes (GP) offer a scalable framework to integrate state-of-the-art…

Artificial intelligence applications in autonomous driving, medical diagnostics, and financial systems increasingly demand machine learning models that can provide robust uncertainty quantification, interpretability, and noise resilience.…

We develop and test new machine learning strategies for accelerating molecular crystal structure ranking and crystal property prediction using tools from geometric deep learning on molecular graphs. Leveraging developments in graph-based…

Deep learning-based automated contouring and treatment planning has been proven to improve the efficiency and accuracy of radiotherapy. However, conventional radiotherapy treatment planning process has the automated contouring and treatment…

Despite the rise to dominance of deep learning in unstructured data domains, tree-based methods such as Random Forests (RF) and Gradient Boosted Decision Trees (GBDT) are still the workhorses for handling discriminative tasks on tabular…

Gradient Boosting Decision Trees (GBDTs) dominate tabular machine learning, with modern implementations like XGBoost, LightGBM, and CatBoost being based on Newton boosting: a second-order descent step in the space of decision trees. Despite…

Gradient Boosting Decision Tree (GBDT) are popular machine learning algorithms with implementations such as LightGBM and in popular machine learning toolkits like Scikit-Learn. Many implementations can only produce trees in an offline…

PET is affected by statistical noise due to constraints on tracer dose and scan duration, impacting both diagnostic performance and quantitative accuracy. While deep learning (DL)-based PET denoising methods have been used to improve image…

Prediction of protein-ligand (PL) binding affinity remains the key to drug discovery. Popular approaches in recent years involve graph neural networks (GNNs), which are used to learn the topology and geometry of PL complexes. However, GNNs…

Purpose: We sought to evaluate the feasibility of using machine learning algorithms for multipoint plastic scintillator detector calibration in high-dose-rate brachytherapy. Methods: The dosimetry system consisted of an optimized 1-mm-core…

The discovery of new catalysts is one of the significant topics of computational chemistry as it has the potential to accelerate the adoption of renewable energy sources. Recently developed deep learning approaches such as graph neural…