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Mechanistic interpretability seeks to reverse engineer a trained neural network by identifying the minimal subset of internal components. We perform a mechanistic interpretability analysis of the Particle Transformer architecture, trained…

高能物理 - 唯象学 · 物理学 2026-05-12 Saurabh Rai , Sanmay Ganguly

In the context of modern machine learning, models deployed in real-world scenarios often encounter diverse data shifts like covariate and semantic shifts, leading to challenges in both out-of-distribution (OOD) generalization and detection.…

机器学习 · 计算机科学 2024-09-30 Han Wang , Yixuan Li

Out-of-distribution generalization (OODG) is a longstanding challenge for neural networks. This challenge is quite apparent in tasks with well-defined variables and rules, where explicit use of the rules could solve problems independently…

机器学习 · 计算机科学 2022-12-14 Andrew J. Nam , Mustafa Abdool , Trevor Maxfield , James L. McClelland

Learning on graphs, where instance nodes are inter-connected, has become one of the central problems for deep learning, as relational structures are pervasive and induce data inter-dependence which hinders trivial adaptation of existing…

机器学习 · 计算机科学 2023-03-10 Qitian Wu , Yiting Chen , Chenxiao Yang , Junchi Yan

The lack of interpretability of the Vision Transformer may hinder its use in critical real-world applications despite its effectiveness. To overcome this issue, we propose a post-hoc interpretability method called VISION DIFFMASK, which…

计算机视觉与模式识别 · 计算机科学 2023-04-14 Angelos Nalmpantis , Apostolos Panagiotopoulos , John Gkountouras , Konstantinos Papakostas , Wilker Aziz

3D Geometric Graph Neural Networks (GNNs) have emerged as transformative tools for modeling molecular data. Despite their predictive power, these models often suffer from limited interpretability, raising concerns for scientific…

机器学习 · 计算机科学 2025-05-06 Jingxiang Qu , Wenhan Gao , Jiaxing Zhang , Xufeng Liu , Hua Wei , Haibin Ling , Yi Liu

Modern foundation models exhibit remarkable out-of-distribution (OOD) generalization, solving tasks far beyond the support of their training data. However, the theoretical principles underpinning this phenomenon remain elusive. This paper…

机器学习 · 统计学 2025-05-29 Jiawei Ge , Amanda Wang , Shange Tang , Chi Jin

Out-of-Domain (OOD) detection is a key component in a task-oriented dialog system, which aims to identify whether a query falls outside the predefined supported intent set. Previous softmax-based detection algorithms are proved to be…

计算与语言 · 计算机科学 2022-09-15 Yanan Wu , Zhiyuan Zeng , Keqing He , Yutao Mou , Pei Wang , Weiran Xu

Systematics contaminate observables, leading to distribution shifts relative to theoretically simulated signals-posing a major challenge for using pre-trained models to label such observables. Since systematics are often poorly understood…

天体物理仪器与方法 · 物理学 2025-11-18 Sultan Hassan , Sambatra Andrianomena , Benjamin D. Wandelt

Out-of-distribution (OOD) detection is essential in autonomous driving, to determine when learning-based components encounter unexpected inputs. Traditional detectors typically use encoder models with fixed settings, thus lacking effective…

计算机视觉与模式识别 · 计算机科学 2024-05-06 Zhenjiang Mao , Dong-You Jhong , Ao Wang , Ivan Ruchkin

Paradoxically, a Variational Autoencoder (VAE) could be pushed in two opposite directions, utilizing powerful decoder model for generating realistic images but collapsing the learned representation, or increasing regularization coefficient…

机器学习 · 计算机科学 2022-03-30 Trung Ngo , Najwa Laabid , Ville Hautamäki , Merja Heinäniemi

Graph autoencoders (GAEs), as a kind of generative self-supervised learning approach, have shown great potential in recent years. GAEs typically rely on distance-based criteria, such as mean-square-error (MSE), to reconstruct the input…

机器学习 · 计算机科学 2024-06-26 Ge Chen , Yulan Hu , Sheng Ouyang , Yong Liu , Cuicui Luo

Model interpretability is an increasingly important component of practical machine learning. Some of the most common forms of interpretability systems are example-based, local, and global explanations. One of the main challenges in…

机器学习 · 计算机科学 2019-01-08 Gregory Plumb , Denali Molitor , Ameet Talwalkar

When the system is linear, why should learning be nonlinear? Linear dynamical systems, the analytical backbone of control theory, signal processing and circuit analysis, have exact closed-form solutions via the state transition matrix. Yet…

机器学习 · 计算机科学 2026-03-31 Shafayeth Jamil , Rehan Kapadia

We consider the task of out-of-distribution (OOD) generalization, where the distribution shift is due to an unobserved confounder ($Z$) affecting both the covariates ($X$) and the labels ($Y$). This confounding introduces heterogeneity in…

机器学习 · 计算机科学 2025-08-14 Parjanya Prashant , Seyedeh Baharan Khatami , Bruno Ribeiro , Babak Salimi

Although neural networks have seen tremendous success as predictive models in a variety of domains, they can be overly confident in their predictions on out-of-distribution (OOD) data. To be viable for safety-critical applications, like…

机器人学 · 计算机科学 2022-11-17 Masha Itkina , Mykel J. Kochenderfer

Graphs are ubiquitous in real-world scenarios and encompass a diverse range of tasks, from node-, edge-, and graph-level tasks to transfer learning. However, designing specific tasks for each type of graph data is often costly and lacks…

机器学习 · 计算机科学 2024-03-22 Yulan Hu , Sheng Ouyang , Zhirui Yang , Ge Chen , Junchen Wan , Xiao Wang , Yong Liu

The transformer's remarkable ability to perform in-context learning (ICL) has sparked a wide range of studies designed to understand its strengths and limitations. However, a theoretical understanding of when ICL can and cannot generalize…

机器学习 · 统计学 2026-04-30 Soo Min Kwon , Alec S. Xu , Can Yaras , Laura Balzano , Qing Qu

Explainable Boosting Machines (EBMs) provide transparent predictions through additive shape functions, enabling direct inspection of feature contributions. However, EBMs can learn non-physical relationships that reduce their reliability in…

机器学习 · 计算机科学 2026-03-19 Cheng-Hsi Hsiao , Krishna Kumar , Ellen M. Rathje

With the rapid deployment of graph neural networks (GNNs) based techniques into a wide range of applications such as link prediction, node classification, and graph classification the explainability of GNNs has become an indispensable…

机器学习 · 计算机科学 2023-01-03 Yiqiao Li , Jianlong Zhou , Boyuan Zheng , Fang Chen
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