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Interpretation and diagnosis of machine learning models have gained renewed interest in recent years with breakthroughs in new approaches. We present Manifold, a framework that utilizes visual analysis techniques to support interpretation,…

Machine Learning · Computer Science 2019-01-18 Jiawei Zhang , Yang Wang , Piero Molino , Lezhi Li , David S. Ebert

Predicting whether a molecule can cross the blood-brain barrier (BBB) is a key step in early-stage neuro-pharmaceutical design, directly influencing the efficiency and success rate of drug development. Traditional methods based on…

Quantitative Methods · Quantitative Biology 2026-03-16 Zihan Yang , Yuchen Xiao

Deep learning, a branch of artificial intelligence, is a data-driven method that uses multiple layers of interconnected units or neurons to learn intricate patterns and representations directly from raw input data. Empowered by this…

Machine Learning · Computer Science 2025-07-28 Mohd Halim Mohd Noor , Ayokunle Olalekan Ige

Large language models (LLMs) have demonstrated impressive performance on natural language tasks, but their decision-making processes remain largely opaque. Existing explanation methods either suffer from limited faithfulness to the model's…

Computation and Language · Computer Science 2025-06-03 Bowen Wei , Mehrdad Fazli , Ziwei Zhu

Nowadays, Neural Networks represent a major expectation for the realization of powerful Deep Learning algorithms, which can determine several physical systems' behaviors and operations. Computational resources required for model, training,…

Machine Learning · Computer Science 2021-03-02 Giulia Crocioni , Giambattista Gruosso , Danilo Pau , Davide Denaro , Luigi Zambrano , Giuseppe di Giore

Deep metric learning (DML) involves training a network to learn a semantically meaningful representation space. Many current approaches mine n-tuples of examples and model interactions within each tuplets. We present a novel, compositional…

Computer Vision and Pattern Recognition · Computer Science 2025-04-22 Shubhang Bhatnagar , Narendra Ahuja

Building models for realistic natural language tasks requires dealing with long texts and accounting for complicated structural dependencies. Neural-symbolic representations have emerged as a way to combine the reasoning capabilities of…

Computation and Language · Computer Science 2021-03-08 Maria Leonor Pacheco , Dan Goldwasser

We present ProtoConcepts, a method for interpretable image classification combining deep learning and case-based reasoning using prototypical parts. Existing work in prototype-based image classification uses a ``this looks like that''…

Computer Vision and Pattern Recognition · Computer Science 2023-10-31 Chiyu Ma , Brandon Zhao , Chaofan Chen , Cynthia Rudin

We present our ongoing work NeuroMapper, an in-browser visualization tool that helps machine learning (ML) developers interpret the evolution of a model during training, providing a new way to monitor the training process and visually…

Human-Computer Interaction · Computer Science 2022-10-25 Zhiyan Zhou , Kevin Li , Haekyu Park , Megan Dass , Austin Wright , Nilaksh Das , Duen Horng Chau

We introduce pyGSL, a Python library that provides efficient implementations of state-of-the-art graph structure learning models along with diverse datasets to evaluate them on. The implementations are written in GPU-friendly ways, allowing…

Machine Learning · Computer Science 2022-11-08 Max Wasserman , Gonzalo Mateos

Graph Neural Networks (GNNs) have shown great ability in modeling graph-structured data for various domains. However, GNNs are known as black-box models that lack interpretability. Without understanding their inner working, we cannot fully…

Machine Learning · Computer Science 2022-10-06 Enyan Dai , Suhang Wang

Deep neural networks have become ubiquitous for applications related to visual recognition and language understanding tasks. However, it is often prohibitive to use typical neural networks on devices like mobile phones or smart watches…

Machine Learning · Computer Science 2017-08-10 Sujith Ravi

Recent research in the deep learning field has produced a plethora of new architectures. At the same time, a growing number of groups are applying deep learning to new applications. Some of these groups are likely to be composed of…

Machine Learning · Computer Science 2016-11-15 Leslie N. Smith , Nicholay Topin

We introduce PyText - a deep learning based NLP modeling framework built on PyTorch. PyText addresses the often-conflicting requirements of enabling rapid experimentation and of serving models at scale. It achieves this by providing simple…

Visual design relies on seeing things in different ways, acting on them, and seeing results to act again. Parametric design tools are often not robust to design changes that result from sketching over the visualization of their output. We…

Graphics · Computer Science 2023-12-20 Demircan Tas

Prototypical part network (ProtoPNet) methods have been designed to achieve interpretable classification by associating predictions with a set of training prototypes, which we refer to as trivial prototypes because they are trained to lie…

Computer Vision and Pattern Recognition · Computer Science 2023-10-24 Chong Wang , Yuyuan Liu , Yuanhong Chen , Fengbei Liu , Yu Tian , Davis J. McCarthy , Helen Frazer , Gustavo Carneiro

Large language models (LLMs) have demonstrated that large-scale pretraining enables systems to adapt rapidly to new problems with little supervision in the language domain. This success, however, has not translated as effectively to the…

Computer Vision and Pattern Recognition · Computer Science 2025-11-04 Pablo Acuaviva , Aram Davtyan , Mariam Hassan , Sebastian Stapf , Ahmad Rahimi , Alexandre Alahi , Paolo Favaro

While deep learning has pushed the boundaries in various machine learning tasks, the current models are still far away from replicating many functions that a normal human brain can do. Explicit memorization based deep architecture have been…

Computer Vision and Pattern Recognition · Computer Science 2018-01-31 Pratik Prabhanjan Brahma , Qiuyuan Huang , Dapeng Wu

Deep learning technologies, particularly deep neural networks (DNNs), have demonstrated significant success across many domains. This success has been accompanied by substantial advancements and innovations in the algorithms behind the…

Machine Learning · Computer Science 2025-04-14 Timothy L. Cronin , Sanmukh Kuppannagari

Projection-based model reduction has become a popular approach to reduce the cost associated with integrating large-scale dynamical systems so they can be used in many-query settings such as optimization and uncertainty quantification. For…

Numerical Analysis · Mathematics 2020-08-26 Han Gao , Jian-Xun Wang , Matthew J. Zahr