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Molecular docking, given a ligand molecule and a ligand binding site (called ``pocket'') on a protein, predicting the binding mode of the protein-ligand complex, is a widely used technique in drug design. Many deep learning models have been…

In open-domain question answering, a model receives a text question as input and searches for the correct answer using a large evidence corpus. The retrieval step is especially difficult as typical evidence corpora have \textit{millions} of…

Recent research reveals that deep learning is an effective way of solving high dimensional Hamilton-Jacobi-Bellman equations. The resulting feedback control law in the form of a neural network is computationally efficient for real-time…

Deep learning has advanced efficient chemical process simulations on the surfaces, accelerating high-throughput materials screening and rational design in heterogeneous catalysis, energy storage and conversion, and gas separation. However,…

Over the last few years, several works have proposed deep learning architectures to learn dynamical systems from observation data with no or little knowledge of the underlying physics. A line of work relies on learning representations where…

The rapid growth of large language models has spurred significant interest in model compression as a means to enhance their accessibility and practicality. While extensive research has explored model compression through the lens of safety,…

Direction-of-arrival (DOA) estimation refers to the process of retrieving the direction information of several electromagnetic waves/sources from the outputs of a number of receiving antennas that form a sensor array. DOA estimation is a…

The typical approach for learned DBMS components is to capture the behavior by running a representative set of queries and use the observations to train a machine learning model. This workload-driven approach, however, has two major…

Markov chain-based modeling and Koopman operator-based modeling are two popular frameworks for data-driven modeling of dynamical systems. They share notable similarities from a computational and practitioner's perspective, especially for…

This research paper discusses the advances made in the past decade in biomedicine and Large Language Models. To understand how the advances have been made hand-in-hand with one another, the paper also discusses the integration of Natural…

Diverse and extensive work has recently been conducted on text-conditioned human motion generation. However, progress in the reverse direction, motion captioning, has seen less comparable advancement. In this paper, we introduce a novel…

Machine learning assumes a pivotal role in our data-driven world. The increasing scale of models and datasets necessitates quick and reliable algorithms for model training. This dissertation investigates adaptivity in machine learning…

Numerous pre-training techniques for visual document understanding (VDU) have recently shown substantial improvements in performance across a wide range of document tasks. However, these pre-trained VDU models cannot guarantee continued…

Multimodal Large Language Models (mLLMs) are often used to answer questions in structured data such as tables in Markdown, JSON, and images. While these models can often give correct answers, users also need to know where those answers come…

The generalised linear model (GLM) is a very important tool for analysing real data in biology, sociology, agriculture, engineering and many other application domain where the relationship between the response and explanatory variables may…

Correction to The Annals of Statistics (1989) 17 1749--1766 [URL: http://links.jstor.org/sici?sici=0090-5364%28198912%2917%3A4%3C1749%3AEPEFSP%3E 2.0.CO%3B2-9]

In this review, we examine the problem of designing interpretable and explainable machine learning models. Interpretability and explainability lie at the core of many machine learning and statistical applications in medicine, economics,…

Automated bias detection in news text is heavily used to support journalistic analysis and media accountability, yet little is known about how bias detection models arrive at their decisions or why they fail. In this work, we present a…

Direct preference optimization (DPO), a widely adopted offline preference optimization algorithm, aims to align large language models (LLMs) with human-desired behaviors using pairwise preference data. However, the generation of the winning…

Information about pretraining corpora used to train the current best-performing language models is seldom discussed: commercial models rarely detail their data, and even open models are often released without accompanying training data or…