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We consider the problem of learning linear prediction models with model misspecification bias. In such case, the collinearity among input variables may inflate the error of parameter estimation, resulting in instability of prediction…

Machine Learning · Computer Science 2019-12-02 Zheyan Shen , Peng Cui , Tong Zhang , Kun Kuang

The performance of Large Language Models (LLMs) is highly sensitive to the prompts they are given. Drawing inspiration from the field of prompt optimization, this study investigates the potential for enhancing Automated Essay Scoring (AES)…

Computation and Language · Computer Science 2025-10-13 Keno Harada , Lui Yoshida , Takeshi Kojima , Yusuke Iwasawa , Yutaka Matsuo

We propose a novel methodology for general multi-class classification in arbitrary feature spaces, which results in a potentially well-calibrated classifier. Calibrated classifiers are important in many applications because, in addition to…

Machine Learning · Statistics 2023-02-22 Raoul Heese , Jochen Schmid , Michał Walczak , Michael Bortz

Recently, quantization has been widely used for the compression and acceleration of large language models (LLMs). Due to the outliers in LLMs, it is crucial to flatten weights and activations to minimize quantization error with equally…

Computation and Language · Computer Science 2025-08-12 Yuxuan Sun , Ruikang Liu , Haoli Bai , Han Bao , Kang Zhao , Yuening Li , Jiaxin Hu , Xianzhi Yu , Lu Hou , Chun Yuan , Xin Jiang , Wulong Liu , Jun Yao

We apply a novel method with machine learning to calibrate sub-grid models within numerical simulation codes to achieve convergence with observations and between different codes. It utilizes active learning and neural density estimators.…

Astrophysics of Galaxies · Physics 2022-10-07 Boon Kiat Oh , Hongjun An , Eun-jin Shin , Ji-hoon Kim , Sungwook E. Hong

Machine-learned interatomic potentials are revolutionising atomistic materials simulations by providing accurate and scalable predictions within the scope covered by the training data. However, generation of an accurate and robust training…

Materials Science · Physics 2025-07-30 Mariia Radova , Wojciech G. Stark , Connor S. Allen , Reinhard J. Maurer , Albert P. Bartók

A simple reweighting scheme is proposed for Monte Carlo simulations of interacting particle systems, permitting one to study various parameter values in a single study, and improving efficiency by an order of magnitude. Unlike earlier…

Statistical Mechanics · Physics 2009-10-31 Ronald Dickman

Machine learning (ML) offers a promising solution to pathloss prediction. However, its effectiveness can be degraded by the limited availability of data. To alleviate these challenges, this paper introduces a novel simulation-enhanced data…

In deep learning for drug discovery, chemical data are often represented as simplified molecular-input line-entry system (SMILES) sequences which allow for straightforward implementation of natural language processing methodologies, one…

Machine Learning · Computer Science 2023-10-05 Kathryn E. Kirchoff , Travis Maxfield , Alexander Tropsha , Shawn M. Gomez

The interpretability of machine learning, particularly for deep neural networks, is crucial for decision making in real-world applications. One approach is replacing the un-interpretable machine learning model with a surrogate model, which…

Machine Learning · Statistics 2020-07-22 Keiichi Kisamori , Keisuke Yamazaki , Yuto Komori , Hiroshi Tokieda

Reliably characterizing the full conditional distribution of a multivariate response variable given a set of covariates is crucial for trustworthy decision-making. However, misspecified or miscalibrated multivariate models may yield a poor…

Machine Learning · Computer Science 2025-10-27 Victor Dheur , Souhaib Ben Taieb

Model-form uncertainties in complex mechanics systems are a major obstacle for predictive simulations. Reducing these uncertainties is critical for stake-holders to make risk-informed decisions based on numerical simulations. For example,…

Fluid Dynamics · Physics 2018-09-11 J. -L. Wu , J. -X. Wang , H. Xiao

The joint optimization of the reconstruction and classification error is a hard non convex problem, especially when a non linear mapping is utilized. In order to overcome this obstacle, a novel optimization strategy is proposed, in which a…

Machine Learning · Computer Science 2022-11-07 Ioannis A. Nellas , Sotiris K. Tasoulis , Vassilis P. Plagianakos , Spiros V. Georgakopoulos

We study the problem of distribution shift generally arising in machine-learning augmented hybrid simulation, where parts of simulation algorithms are replaced by data-driven surrogates. We first establish a mathematical framework to…

Numerical Analysis · Mathematics 2025-06-17 Jiaxi Zhao , Qianxiao Li

Latent space models are effective tools for statistical modeling and exploration of network data. These models can effectively model real world network characteristics such as degree heterogeneity, transitivity, homophily, etc. Due to their…

Methodology · Statistics 2017-08-21 Zhuang Ma , Zongming Ma

Latent representation learned from multi-layered neural networks via hierarchical feature abstraction enables recent success of deep learning. Under the deep learning framework, generalization performance highly depends on the learned…

Machine Learning · Computer Science 2016-11-07 Hyo-Eun Kim , Sangheum Hwang , Kyunghyun Cho

The least absolute shrinkage and selection operator (Lasso) is a popular method for high-dimensional statistics. However, it is known that the Lasso often has estimation bias and prediction error. To address such disadvantages, many…

Methodology · Statistics 2026-04-29 Guo Liu

Through end-to-end training to predict the next token, LLMs have become valuable tools for various tasks. Enhancing their core training in language modeling can improve numerous downstream applications. A successful approach to enhance…

Computation and Language · Computer Science 2024-10-17 Nathan Cornille , Florian Mai , Jingyuan Sun , Marie-Francine Moens

The ability to construct a realistic simulator of financial exchanges, including reproducing the dynamics of the limit order book, can give insight into many counterfactual scenarios, such as a flash crash, a margin call, or changes in…

Machine Learning · Computer Science 2023-11-28 Namid R. Stillman , Rory Baggott , Justin Lyon , Jianfei Zhang , Dingqiu Zhu , Tao Chen , Perukrishnen Vytelingum

Selective inference methods are developed for group lasso estimators for use with a wide class of distributions and loss functions. The method includes the use of exponential family distributions, as well as quasi-likelihood modeling for…

Methodology · Statistics 2024-03-28 Yiling Huang , Sarah Pirenne , Snigdha Panigrahi , Gerda Claeskens
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