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Related papers: COMET: Neural Cost Model Explanation Framework

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Ab initio quantum chemical methods for accurately computing interactions between molecules have a wide range of applications but are often computationally expensive. Hence, selecting an appropriate method based on accuracy and computational…

Chemical Physics · Physics 2025-11-25 Austin M. Wallace , C. David Sherrill , Giri P. Krishnan

This paper introduces ICET, a new algorithm for cost-sensitive classification. ICET uses a genetic algorithm to evolve a population of biases for a decision tree induction algorithm. The fitness function of the genetic algorithm is the…

Artificial Intelligence · Computer Science 2009-09-25 P. D. Turney

Quantum computing can empower machine learning models by enabling kernel machines to leverage quantum kernels for representing similarity measures between data. Quantum kernels are able to capture relationships in the data that are not…

In complex inferential tasks like question answering, machine learning models must confront two challenges: the need to implement a compositional reasoning process, and, in many applications, the need for this reasoning process to be…

Computer Vision and Pattern Recognition · Computer Science 2019-03-08 Ronghang Hu , Jacob Andreas , Trevor Darrell , Kate Saenko

Model-based process simulation can be used to derive designs and operating conditions of chemical processes that optimally balance multiple objectives, such as quality, costs, or environmental impacts. This work focuses on identifying…

Calibration strengthens the trustworthiness of black-box models by producing better accurate confidence estimates on given examples. However, little is known about if model explanations can help confidence calibration. Intuitively, humans…

Computation and Language · Computer Science 2022-11-08 Dongfang Li , Baotian Hu , Qingcai Chen

We are interested in estimating the uncertainties of deep neural networks, which play an important role in many scientific and engineering problems. In this paper, we present a striking new finding that an ensemble of neural networks with…

Machine Learning · Computer Science 2022-12-05 Jayaraman J. Thiagarajan , Rushil Anirudh , Vivek Narayanaswamy , Peer-Timo Bremer

A diverse array of reasoning strategies has been proposed to elicit the capabilities of large language models. However, in this paper, we point out that traditional evaluations which focus solely on performance metrics miss a key factor:…

Computation and Language · Computer Science 2024-06-18 Junlin Wang , Siddhartha Jain , Dejiao Zhang , Baishakhi Ray , Varun Kumar , Ben Athiwaratkun

Among the multiple causes of high error rates in spreadsheets, lack of proper training and of deep understanding of the computational model upon which spreadsheet computations rest might not be the least issue. The paper addresses this…

Human-Computer Interaction · Computer Science 2024-12-31 Karin Hodnigg , Markus Clermont , Roland T. Mittermeir

Uncertainty quantification (UQ) provides a resource-efficient solution for on-device monitoring of tinyML models deployed without access to true labels. However, existing UQ methods impose significant memory and compute demands, making them…

Machine Learning · Computer Science 2024-11-19 Nikhil P Ghanathe , Steven J E Wilton

Deep Neural Networks (DNNs) are often considered black boxes due to their opaque decision-making processes. To reduce their opacity Concept Models (CMs), such as Concept Bottleneck Models (CBMs), were introduced to predict human-defined…

Human-Computer Interaction · Computer Science 2025-12-02 Jack Furby , Dan Cunnington , Dave Braines , Alun Preece

Cycle-accurate software simulation of multicores with complex microarchitectures is often excruciatingly slow. People use simplified core models to gain simulation speed. However, a persistent question is to what extent the results derived…

Hardware Architecture · Computer Science 2016-10-10 Sizhuo Zhang , Andrew Wright , Daniel Sanchez , Arvind

End-to-end deep neural networks have achieved remarkable success across various domains but are often criticized for their lack of interpretability. While post hoc explanation methods attempt to address this issue, they often fail to…

Machine Learning · Computer Science 2025-01-22 Weixin Chen , Simon Yu , Huajie Shao , Lui Sha , Han Zhao

Interpretability of point cloud (PC) models becomes imperative given their deployment in safety-critical scenarios such as autonomous vehicles. We focus on attributing PC model outputs to interpretable critical concepts, defined as…

Machine Learning · Computer Science 2025-05-27 Feifei Li , Mi Zhang , Zhaoxiang Wang , Min Yang

Predicting query execution time is a fundamental issue underlying many database management tasks. Existing predictors rely on information such as cardinality estimates and system performance constants that are difficult to know exactly. As…

Databases · Computer Science 2014-08-29 Wentao Wu , Xi Wu , Hakan Hacıgümüş , Jeffrey F. Naughton

Computational quantum mechanics based molecular and materials design campaigns consume increasingly more high-performance compute resources, making improved job scheduling efficiency desirable in order to reduce carbon footprint or wasteful…

Chemical Physics · Physics 2020-06-15 Stefan Heinen , Max Schwilk , Guido Falk von Rudorff , O. Anatole von Lilienfeld

Concept-Based Models (CBMs) are a class of deep learning models that provide interpretability by explaining predictions through high-level concepts. These models first predict concepts and then use them to perform a downstream task.…

Machine Learning · Computer Science 2025-06-27 David Debot , Pietro Barbiero , Gabriele Dominici , Giuseppe Marra

This work investigates the framework and performance issues of the composite neural network, which is composed of a collection of pre-trained and non-instantiated neural network models connected as a rooted directed acyclic graph for…

Machine Learning · Computer Science 2021-07-20 Ming-Chuan Yang , Meng Chang Chen

Despite being highly performant, deep neural networks might base their decisions on features that spuriously correlate with the provided labels, thus hurting generalization. To mitigate this, 'model guidance' has recently gained popularity,…

Computer Vision and Pattern Recognition · Computer Science 2024-07-23 Sukrut Rao , Moritz Böhle , Amin Parchami-Araghi , Bernt Schiele

The surge of explainable artificial intelligence methods seeks to enhance transparency and explainability in machine learning models. At the same time, there is a growing demand for explaining decisions taken through complex algorithms used…

Optimization and Control · Mathematics 2025-06-19 Daan Otto , Jannis Kurtz , S. Ilker Birbil