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Knowledge Bases (KBs) are easy to query, verifiable, and interpretable. They however scale with man-hours and high-quality data. Masked Language Models (MLMs), such as BERT, scale with computing power as well as unstructured raw text data.…
We provide a new estimation method for conditional moment models via the martingale difference divergence (MDD).Our MDD-based estimation method is formed in the framework of a continuum of unconditional moment restrictions. Unlike the…
This paper studies the performance of the spectral method in the estimation and uncertainty quantification of the unobserved preference scores of compared entities in a general and more realistic setup. Specifically, the comparison graph…
The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…
We propose a Bayesian nonparametric (BNP) approach to causal inference using observational data consisting of outcome, treatment, and a set of confounders. The conditional distribution of the outcome given treatment and confounders is…
In this work, we propose using the mixture density network (MDN) to estimate cosmological parameters. We test the MDN method by constraining parameters of the $\Lambda$CDM and $w$CDM models using Type Ia supernovae and the power spectra of…
In modern computer experiment applications, one often encounters the situation where various models of a physical system are considered, each implemented as a simulator on a computer. An important question in such a setting is determining…
Optimizing credit limits, interest rates, and loan terms is crucial for managing borrower risk and lifetime value (LTV) in personal loan platform. However, counterfactual estimation of these continuous, multi-dimensional treatments faces…
Medical data poses a daunting challenge for AI algorithms: it exists in many different modalities, experiences frequent distribution shifts, and suffers from a scarcity of examples and labels. Recent advances, including transformers and…
We present results of testing of the ability of eleven popular scoring functions to predict native docked positions using a recently developed method [1] for estimation the entropy contributions of relative motions to protein-ligand binding…
Multi-modal Large Language Models (MLLMs) have exhibited impressive capability. However, recently many deficiencies of MLLMs have been found compared to human intelligence, $\textit{e.g.}$, hallucination. To drive the MLLMs study, the…
Modern statistical modeling is an important complement to the more traditional approach of physics where Complex Systems are studied by means of extremely simple idealized models. The Minimum Description Length (MDL) is a principled…
This paper presents a novel estimation approach for cumulative link models, based on median bias reduction as developed in Kenne Pagui et al. (2017). The median bias reduced estimator is obtained as solution of an estimating equation based…
In drug discovery, molecular dynamics (MD) simulation for protein-ligand binding provides a powerful tool for predicting binding affinities, estimating transport properties, and exploring pocket sites. There has been a long history of…
The causal dose response curve is commonly selected as the statistical parameter of interest in studies where the goal is to understand the effect of a continuous exposure on an outcome.Most of the available methodology for statistical…
For many cancer sites low-dose risks are not known and must be extrapolated from those observed in groups exposed at much higher levels of dose. Measurement error can substantially alter the dose-response shape and hence the extrapolated…
Large language models~(LLMs) have greatly advanced the frontiers of artificial intelligence, attaining remarkable improvement in model capacity. To assess the model performance, a typical approach is to construct evaluation benchmarks for…
Anomaly estimation, or the problem of finding a subset of a dataset that differs from the rest of the dataset, is a classic problem in machine learning and data mining. In both theoretical work and in applications, the anomaly is assumed to…
Predicting whether a molecule can cross the blood-brain barrier (BBB) is a key step in early-stage neuro-pharmaceutical design, directly influencing the efficiency and success rate of drug development. Traditional methods based on…
Background: Phase I trials desire to identify the maximum tolerated dose (MTD) early and proceed quickly to an expansion cohort or phase II trial for efficacy. We propose an early completion method based on multiple dosages to accelerate…