Related papers: Foundation-Model Surrogates Enable Data-Efficient …

Leveraging the in-context learning (ICL) capability of Large Language Models (LLMs) for tabular classification has gained significant attention for its training-free adaptability across diverse datasets. Recent advancements, like TabPFN,…

Active learning (AL) is a prominent technique for reducing the annotation effort required for training machine learning models. Deep learning offers a solution for several essential obstacles to deploying AL in practice but introduces many…

Anomaly detection in tabular data is challenging due to high dimensionality, complex feature dependencies, and heterogeneous noise. Many existing methods rely on proximity-based cues and may miss anomalies caused by violations of complex…

We introduce an explorative active learning (AL) algorithm based on Gaussian process regression and marginalized graph kernel (GPR-MGK) to explore chemical space with minimum cost. Using high-throughput molecular dynamics simulation to…

Active learning (AL) aims to optimize model training and reduce annotation costs by selecting the most informative samples for labeling. Typically, AL methods rely on the empirical distribution of labeled data to define the decision…

The paucity of labeled data is a typical challenge in the automotive industry. Annotating time-series measurements requires solid domain knowledge and in-depth exploratory data analysis, which implies a high labeling effort. Conventional…

Active learning in computer experiments aims at allocating resources in an intelligent manner based on the already observed data to satisfy certain objectives such as emulating or optimizing a computationally expensive function. There are…

Active learning has been increasingly applied to screening functional materials from existing materials databases with desired properties. However, the number of known materials deposited in the popular materials databases such as ICSD and…

We propose Adaptive Deep Kernel Fitting with Implicit Function Theorem (ADKF-IFT), a novel framework for learning deep kernel Gaussian processes (GPs) by interpolating between meta-learning and conventional deep kernel learning. Our…

We propose Tabular Q-Learning (TabQL), a reinforcement learning framework that replaces the conventional parametric Q-network in Deep Q-Learning (DQN) with a tabular foundation model endowed with in-context learning capabilities. The key…

Active learning (AL) is a promising ML paradigm that has the potential to parse through large unlabeled data and help reduce annotation cost in domains where labeling data can be prohibitive. Recently proposed neural network based AL…

Wearable sensor-based human activity recognition (HAR) has been a research focus in the field of ubiquitous and mobile computing for years. In recent years, many deep models have been applied to HAR problems. However, deep learning methods…

The Trapped Gyro-Landau Fluid (TGLF) model provides fast, accurate predictions of turbulent transport in tokamaks, but whole device simulations requiring thousands of evaluations remain computationally expensive. Neural network (NN)…

Accurate molecular property prediction is central to drug discovery, catalysis, and process design, yet real-world applications are often limited by small datasets. Molecular foundation models provide a promising direction by learning…

Active Learning (AL) has emerged as a powerful approach for minimizing labeling costs by selectively sampling the most informative data for neural network model development. Effective AL for large-scale vision-language models necessitates…

Recent advances in machine learning, specifically transformer architecture, have led to significant advancements in commercial domains. These powerful models have demonstrated superior capability to learn complex relationships and often…

High-fidelity numerical simulation of subsurface flow is computationally intensive, especially for many-query tasks such as uncertainty quantification and data assimilation. Deep learning (DL) surrogates can significantly accelerate forward…

The Gaussian Process (GP)-based surrogate model has the inherent capability of capturing the anomaly arising from limited data, lack of data, missing data, and data inconsistencies (noisy/erroneous data) present in the modeling and…

Active learning (AL) aims to improve model performance within a fixed labeling budget by choosing the most informative data points to label. Existing AL focuses on the single-domain setting, where all data come from the same domain (e.g.,…

Federated Learning (FL) has emerged as a transformative paradigm for distributed machine learning while preserving data privacy. However, existing approaches predominantly focus on model heterogeneity and aggregation techniques, largely…