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The foundation model (FM) paradigm is transforming Machine Learning Force Fields (MLFFs), leveraging general-purpose representations and scalable training to perform a variety of computational chemistry tasks. Although MLFF FMs have begun…

Chemical Physics · Physics 2025-02-03 Ishan Amin , Sanjeev Raja , Aditi Krishnapriyan

In the era of large-scale model training, the extensive use of available datasets has resulted in significant computational inefficiencies. To tackle this issue, we explore methods for identifying informative subsets of training data that…

Machine Learning · Computer Science 2025-04-21 Jinghan Yang , Anupam Pani , Yunchao Zhang

In this work, we focus on the use of influence functions to identify relevant training examples that one might hope "explain" the predictions of a machine learning model. One shortcoming of influence functions is that the training examples…

Machine Learning · Computer Science 2020-03-27 Elnaz Barshan , Marc-Etienne Brunet , Gintare Karolina Dziugaite

As LLMs continue to scale, improving training efficiency increasingly depends on using data more effectively. Data selection addresses this problem by allocating a limited training budget to samples that best promote a target behavior.…

Machine Learning · Computer Science 2026-05-21 Qihao Lin , Guanxu Chen , Dongrui Liu , Jing Shao

Modern deep learning models for NLP are notoriously opaque. This has motivated the development of methods for interpreting such models, e.g., via gradient-based saliency maps or the visualization of attention weights. Such approaches aim to…

Computation and Language · Computer Science 2020-05-15 Xiaochuang Han , Byron C. Wallace , Yulia Tsvetkov

Because machine learning has significantly improved efficiency and convenience in the society, it's increasingly used to assist or replace human decision-making. However, the data-based pattern makes related algorithms learn and even…

Machine Learning · Computer Science 2025-12-09 Jingran Yang , Min Zhang , Lingfeng Zhang , Zhaohui Wang , Yonggang Zhang

Study samples often differ from the target populations of inference and policy decisions in non-random ways. Researchers typically believe that such departures from random sampling -- due to changes in the population over time and space, or…

Methodology · Statistics 2023-07-20 Tamara Broderick , Ryan Giordano , Rachael Meager

The multivariable fractional polynomial (MFP) procedure combines variable selection with a function selection procedure (FSP). For continuous variables, a closed test procedure is used to decide between no effect, linear, FP1 or FP2…

Methodology · Statistics 2022-09-21 Willi Sauerbrei , Edwin Kipruto , James Balmford

Recent advancements in code large language models (Code-LLMs) have demonstrated remarkable capabilities in resolving programming related tasks. Meanwhile, researchers have recognized that the quality of pre-training data is crucial for…

Software Engineering · Computer Science 2026-04-10 Chengli Xing , Zhengran Zeng , Gexiang Fang , Rui Xie , Wei Ye , Shikun Zhang

Programmatic Weak Supervision (PWS) aggregates the source votes of multiple weak supervision sources into probabilistic training labels, which are in turn used to train an end model. With its increasing popularity, it is critical to have…

Machine Learning · Computer Science 2022-05-26 Jieyu Zhang , Haonan Wang , Cheng-Yu Hsieh , Alexander Ratner

We study the new feature utility prediction problem: statistically testing whether adding a new feature to the data representation can improve predictive accuracy on a supervised learning task. In many applications, identifying new…

Machine Learning · Computer Science 2012-06-22 Hoyt Koepke , Mikhail Bilenko

The generalization of representations learned via contrastive learning depends crucially on what features of the data are extracted. However, we observe that the contrastive loss does not always sufficiently guide which features are…

Machine Learning · Computer Science 2021-12-21 Joshua Robinson , Li Sun , Ke Yu , Kayhan Batmanghelich , Stefanie Jegelka , Suvrit Sra

Estimating how well a machine learning model performs during inference is critical in a variety of scenarios (for example, to quantify uncertainty, or to choose from a library of available models). However, the standard accuracy estimate of…

Computer Vision and Pattern Recognition · Computer Science 2021-10-07 Xuechen Zhang , Samet Oymak , Jiasi Chen

Influence functions are important for quantifying the impact of individual training data points on a model's predictions. Although extensive research has been conducted on influence functions in traditional machine learning models, their…

Computation and Language · Computer Science 2024-12-23 Zhe Li , Wei Zhao , Yige Li , Jun Sun

Influence function, a technique rooted in robust statistics, has been adapted in modern machine learning for a novel application: data attribution -- quantifying how individual training data points affect a model's predictions. However, the…

Machine Learning · Computer Science 2024-12-03 Junwei Deng , Weijing Tang , Jiaqi W. Ma

In Federated Learning, it is crucial to handle low-quality, corrupted, or malicious data. However, traditional data valuation methods are not suitable due to privacy concerns. To address this, we propose a simple yet effective approach that…

Cryptography and Security · Computer Science 2024-11-27 Ljubomir Rokvic , Panayiotis Danassis , Sai Praneeth Karimireddy , Boi Faltings

As machine learning is increasingly deployed in the real world, it is paramount that we develop the tools necessary to analyze the decision-making of the models we train and deploy to end-users. Recently, researchers have shown that…

Machine Learning · Computer Science 2022-05-05 Andrew Silva , Rohit Chopra , Matthew Gombolay

Latent factor models (LFMs) such as matrix factorization achieve the state-of-the-art performance among various Collaborative Filtering (CF) approaches for recommendation. Despite the high recommendation accuracy of LFMs, a critical issue…

Machine Learning · Computer Science 2019-09-10 Weiyu Cheng , Yanyan Shen , Yanmin Zhu , Linpeng Huang

Evaluation of treatment effects and more general estimands is typically achieved via parametric modelling, which is unsatisfactory since model misspecification is likely. Data-adaptive model building (e.g. statistical/machine learning) is…

Statistics Theory · Mathematics 2022-01-14 Oliver Hines , Oliver Dukes , Karla Diaz-Ordaz , Stijn Vansteelandt

Pretrained language models have achieved remarkable success in various natural language processing tasks. However, pretraining has recently shifted toward larger models and larger data, and this has resulted in significant computational and…

Computation and Language · Computer Science 2023-05-23 Xiao Wang , Weikang Zhou , Qi Zhang , Jie Zhou , Songyang Gao , Junzhe Wang , Menghan Zhang , Xiang Gao , Yunwen Chen , Tao Gui