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A general spherical harmonics method is described for extracting anisotropic pair distribution functions (PDF) in this work. In the structural study of functional crystallized materials, the investigation of the local structures under the…

Materials Science · Physics 2022-07-05 Guanjie Zhang , Hui Liu , Jun Chen , He Lin , Nan Zhang

Fast and inexpensive characterization of materials properties is a key element to discover novel functional materials. In this work, we suggest an approach employing three classes of Bayesian machine learning (ML) models to correlate…

Many Machine Learning algorithms, such as deep neural networks, have long been criticized for being "black-boxes"-a kind of models unable to provide how it arrive at a decision without further efforts to interpret. This problem has raised…

Machine Learning · Statistics 2019-07-04 Yihuang Kang , I-Ling Cheng , Wenjui Mao , Bowen Kuo , Pei-Ju Lee

Integrating multi-omics data, such as DNA methylation, mRNA expression, and microRNA (miRNA) expression, offers a comprehensive view of the biological mechanisms underlying disease. However, the high dimensionality of multi-omics data, the…

Machine Learning · Computer Science 2026-02-12 Tiantian Yang , Zhiqian Chen

We present Universal Sparse Autoencoders (USAEs), a framework for uncovering and aligning interpretable concepts spanning multiple pretrained deep neural networks. Unlike existing concept-based interpretability methods, which focus on a…

Computer Vision and Pattern Recognition · Computer Science 2026-03-20 Harrish Thasarathan , Julian Forsyth , Thomas Fel , Matthew Kowal , Konstantinos G. Derpanis

Graphs that capture relations between textual units have great benefits for detecting salient information from multiple documents and generating overall coherent summaries. In this paper, we develop a neural abstractive multi-document…

Computation and Language · Computer Science 2020-05-21 Wei Li , Xinyan Xiao , Jiachen Liu , Hua Wu , Haifeng Wang , Junping Du

Prediction accuracy and model explainability are the two most important objectives when developing machine learning algorithms to solve real-world problems. The neural networks are known to possess good prediction performance, but lack of…

Machine Learning · Statistics 2019-09-04 Zebin Yang , Aijun Zhang , Agus Sudjianto

Music auto-tagging is essential for organizing and discovering music in extensive digital libraries. While foundation models achieve exceptional performance in this domain, their outputs often lack interpretability, limiting trust and…

Machine Learning · Computer Science 2026-05-28 Andreas Patakis , Vassilis Lyberatos , Spyridon Kantarelis , Edmund Dervakos , Giorgos Stamou

This paper addresses the challenges of detecting anomalies in cellular networks in an interpretable way and proposes a new approach using variational autoencoders (VAEs) that learn interpretable representations of the latent space for each…

Machine Learning · Computer Science 2023-06-29 Amandeep Singh , Michael Weber , Markus Lange-Hegermann

With the advent of powerful computer simulation techniques, it is time to move from the widely used knowledge-guided empirical methods to approaches driven by data science, mainly machine learning algorithms. We investigated the predictive…

There is a need of ensuring machine learning models that are interpretable. Higher interpretability of the model means easier comprehension and explanation of future predictions for end-users. Further, interpretable machine learning models…

Machine Learning · Computer Science 2020-08-17 Gregor Stiglic , Primoz Kocbek , Nino Fijacko , Marinka Zitnik , Katrien Verbert , Leona Cilar

Interpretability benefits the theoretical understanding of representations. Existing word embeddings are generally dense representations. Hence, the meaning of latent dimensions is difficult to interpret. This makes word embeddings like a…

Computation and Language · Computer Science 2023-06-27 Minxue Xia , Hao Zhu

There has been a large number of studies in interpretable and explainable ML for cybersecurity, in particular, for intrusion detection. Many of these studies have significant amount of overlapping and repeated evaluations and analysis. At…

Cryptography and Security · Computer Science 2024-07-08 Omer Subasi , Johnathan Cree , Joseph Manzano , Elena Peterson

The availability of metadata for scientific documents is pivotal in propelling scientific knowledge forward and for adhering to the FAIR principles (i.e. Findability, Accessibility, Interoperability, and Reusability) of research findings.…

Information Retrieval · Computer Science 2025-01-10 Zeyd Boukhers , Cong Yang

Nanoporous materials have attracted significant interest as an emerging platform for adsorption-related applications. The high-throughput computational screening became a standard technique to access the performance of thousands of…

A central challenge in computational catalysis is the identification of low-energy and chemically plausible adsorption configurations, as these directly affect adsorption energies, reaction pathways, and catalytic performance. Existing…

Materials Science · Physics 2026-05-07 Yifan Li , Arravind Subramanian , Xiaoqing Liu , Qiujie Lyu , Sergey Kozlov , Lei Shen

The fields of explainable AI and mechanistic interpretability aim to uncover the internal structure of neural networks, with circuit discovery as a central tool for understanding model computations. Existing approaches, however, rely on…

Machine Learning · Computer Science 2026-03-05 Elena Golimblevskaia , Aakriti Jain , Bruno Puri , Ammar Ibrahim , Wojciech Samek , Sebastian Lapuschkin

Recent efforts of multimodal Transformers have improved Visually Rich Document Understanding (VrDU) tasks via incorporating visual and textual information. However, existing approaches mainly focus on fine-grained elements such as words and…

Computer Vision and Pattern Recognition · Computer Science 2022-09-20 Wenjin Wang , Zhengjie Huang , Bin Luo , Qianglong Chen , Qiming Peng , Yinxu Pan , Weichong Yin , Shikun Feng , Yu Sun , Dianhai Yu , Yin Zhang

Recent studies have demonstrated advantages of information fusion based on sparsity models for multimodal classification. Among several sparsity models, tree-structured sparsity provides a flexible framework for extraction of…

Computer Vision and Pattern Recognition · Computer Science 2015-02-04 Soheil Bahrampour , Asok Ray , Nasser M. Nasrabadi , Kenneth W. Jenkins

Dimensionality reduction techniques are fundamental for analyzing and visualizing high-dimensional data. With established methods like t-SNE and PCA presenting a trade-off between representational power and interpretability. This paper…

Machine Learning · Computer Science 2025-04-25 Erik Bergh
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