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Rigorous statistical methods, including parameter estimation with accompanying uncertainties, underpin the validity of scientific discovery, especially in the natural sciences. With increasingly complex data models such as deep learning…

Machine Learning · Computer Science 2026-02-18 Aurora Grefsrud , Nello Blaser , Trygve Buanes

Predicting user response probabilities is vital for ad ranking and bidding. We hope that predictive models can produce accurate probabilistic predictions that reflect true likelihoods. Calibration techniques aim to post-process model…

Machine Learning · Computer Science 2024-05-28 Penghui Wei , Weimin Zhang , Ruijie Hou , Jinquan Liu , Shaoguo Liu , Liang Wang , Bo Zheng

Recent studies have shown that deep neural networks are not well-calibrated and often produce over-confident predictions. The miscalibration issue primarily stems from using cross-entropy in classifications, which aims to align predicted…

Machine Learning · Computer Science 2025-02-05 Daehwan Kim , Haejun Chung , Ikbeom Jang

This study addresses the problem of calibrating network confidence while adapting a model that was originally trained on a source domain to a target domain using unlabeled samples from the target domain. The absence of labels from the…

Machine Learning · Computer Science 2024-09-09 Coby Penso , Jacob Goldberger

Translation models tend to ignore the rich semantic information in triads in the process of knowledge graph complementation. To remedy this shortcoming, this paper constructs a knowledge graph complementation method that incorporates…

Computation and Language · Computer Science 2023-02-07 Weidong Ji , Zengxiang Yin , Guohui Zhou , Yuqi Yue , Xinru Zhang , Chenghong Sun

We are concerned with obtaining well-calibrated output distributions from regression models. Such distributions allow us to quantify the uncertainty that the model has regarding the predicted target value. We introduce the novel concept of…

Machine Learning · Statistics 2019-05-16 Hao Song , Tom Diethe , Meelis Kull , Peter Flach

Knowledge Graph Completion is a task of expanding the knowledge graph/base through estimating possible entities, or proper nouns, that can be connected using a set of predefined relations, or verb/predicates describing interconnections of…

Computation and Language · Computer Science 2021-01-25 Tong Chen , Sirou Zhu , Yiming Wen , Zhaomin Zheng

Knowledge graph (KG) alignment - the task of recognizing entities referring to the same thing in different KGs - is recognized as one of the most important operations in the field of KG construction and completion. However, existing…

Computation and Language · Computer Science 2022-03-16 Vinh Van Tong , Thanh Trung Huynh , Thanh Tam Nguyen , Hongzhi Yin , Quoc Viet Hung Nguyen , Quyet Thang Huynh

Inexpensive machine learning potentials are increasingly being used to speed up structural optimization and molecular dynamics simulations of materials by iteratively predicting and applying interatomic forces. In these settings, it is…

Chemical Physics · Physics 2023-09-12 Jonas Busk , Mikkel N. Schmidt , Ole Winther , Tejs Vegge , Peter Bjørn Jørgensen

When a model knows when it does not know, many possibilities emerge. The first question is how to enable a model to recognize that it does not know. A promising approach is to use confidence, computed from the model's internal signals, to…

Artificial Intelligence · Computer Science 2026-01-14 Chenjie Hao , Weyl Lu , Yuko Ishiwaka , Zengyi Li , Weier Wan , Yubei Chen

Accurate estimation of predictive uncertainty (model calibration) is essential for the safe application of neural networks. Many instances of miscalibration in modern neural networks have been reported, suggesting a trend that newer, more…

Machine Learning · Computer Science 2021-10-27 Matthias Minderer , Josip Djolonga , Rob Romijnders , Frances Hubis , Xiaohua Zhai , Neil Houlsby , Dustin Tran , Mario Lucic

Binary classification involves predicting the label of an instance based on whether the model score for the positive class exceeds a threshold chosen based on the application requirements (e.g., maximizing recall for a precision bound).…

Machine Learning · Computer Science 2023-11-21 Gundeep Arora , Srujana Merugu , Anoop Saladi , Rajeev Rastogi

As an efficient model for knowledge organization, the knowledge graph has been widely adopted in several fields, e.g., biomedicine, sociology, and education. And there is a steady trend of learning embedding representations of knowledge…

Computation and Language · Computer Science 2024-04-01 Siyu Yao , Ruijie Wang , Shen Sun , Derui Bu , Jun Liu

We study the problem of generating data poisoning attacks against Knowledge Graph Embedding (KGE) models for the task of link prediction in knowledge graphs. To poison KGE models, we propose to exploit their inductive abilities which are…

Machine Learning · Computer Science 2021-11-12 Peru Bhardwaj , John Kelleher , Luca Costabello , Declan O'Sullivan

We focus our attention on the link prediction problem for knowledge graphs, which is treated herein as a binary classification task on neural embeddings of the entities. By comparing, combining and extending different methodologies for link…

Artificial Intelligence · Computer Science 2018-07-30 Asan Agibetov , Matthias Samwald

Quantifying uncertainty of predictions has been identified as one way to develop more trustworthy artificial intelligence (AI) models beyond conventional reporting of performance metrics. When considering their role in a clinical decision…

For classification models based on neural networks, the maximum predicted class probability is often used as a confidence score. This score rarely predicts well the probability of making a correct prediction and requires a post-processing…

Machine Learning · Computer Science 2024-11-07 Adrien LeCoz , Stéphane Herbin , Faouzi Adjed

Artificial neural networks (ANNs) are highly flexible predictive models. However, reliably quantifying uncertainty for their predictions is a continuing challenge. There has been much recent work on "recalibration" of predictive…

Methodology · Statistics 2024-03-12 R. Torres , D. J. Nott , S. A. Sisson , T. Rodrigues , J. G. Reis , G. S. Rodrigues

Knowledge graph (KG) reasoning is a task that aims to predict unknown facts based on known factual samples. Reasoning methods can be divided into two categories: rule-based methods and KG-embedding based methods. The former possesses…

Artificial Intelligence · Computer Science 2024-07-08 Fengsong Sun , Jinyu Wang , Zhiqing Wei , Xianchao Zhang

Classification models based on deep neural networks (DNNs) must be calibrated to measure the reliability of predictions. Some recent calibration methods have employed a probabilistic model on the probability simplex. However, these…

Machine Learning · Computer Science 2025-03-19 Yasushi Esaki , Akihiro Nakamura , Keisuke Kawano , Ryoko Tokuhisa , Takuro Kutsuna
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