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Conformal prediction provides distribution-free prediction sets with finite-sample conditional guarantees. We build upon the RKHS-based framework of Gibbs et al. (2023), which leverages families of covariate shifts to provide approximate…

Methodology · Statistics 2026-05-29 Yating Liu , Yeo Jin Jung , Zixuan Wu , So Won Jeong , Claire Donnat

In this paper, we propose a parallel optimization method for electronic structure calculations based on a single orbital-updating approximation. It is shown by our numerical experiments that the method is efficient and reliable for atomic…

Numerical Analysis · Mathematics 2015-11-20 Xiaoying Dai , Zhuang Liu , Xin Zhang , Aihui Zhou

Matroids are a fundamental object of study in combinatorial optimization. Three closely related and important problems involving matroids are maximizing the size of the union of $k$ independent sets (that is, $k$-fold matroid union),…

Data Structures and Algorithms · Computer Science 2023-03-03 Kent Quanrud

Mutually unbiased bases (MUB) have many applications in quantum information processing and quantum cryptography. Several complex MUB's in $\mathbb{C}^d$ for some dimension $d$ and with larger size have been constructed. On the other hand,…

Quantum Physics · Physics 2021-10-14 Minghui Yang , Aixian Zhang , Jiejing Wen , Keqin Feng

Conformal prediction is a statistical framework that generates prediction sets containing ground-truth labels with a desired coverage guarantee. The predicted probabilities produced by machine learning models are generally miscalibrated,…

Machine Learning · Computer Science 2024-06-07 Jianguo Huang , Huajun Xi , Linjun Zhang , Huaxiu Yao , Yue Qiu , Hongxin Wei

Machine learning models are increasingly used in areas such as loan approvals and hiring, yet they often function as black boxes, obscuring their decision-making processes. Transparency is crucial, and individuals need explanations to…

Artificial Intelligence · Computer Science 2024-07-12 Sopam Dasgupta , Joaquín Arias , Elmer Salazar , Gopal Gupta

Composition and parameterization of multicomponent predictive systems (MCPSs) consisting of chains of data transformation steps are a challenging task. Auto-WEKA is a tool to automate the combined algorithm selection and hyperparameter…

Machine Learning · Computer Science 2019-02-04 Manuel Martin Salvador , Marcin Budka , Bogdan Gabrys

Evaluating retrieval-augmented generation (RAG) systems traditionally relies on hand annotations for input queries, passages to retrieve, and responses to generate. We introduce ARES, an Automated RAG Evaluation System, for evaluating RAG…

Computation and Language · Computer Science 2024-04-02 Jon Saad-Falcon , Omar Khattab , Christopher Potts , Matei Zaharia

Data labeling is a time intensive process. As such, many data scientists use various tools to aid in the data generation and labeling process. While these tools help automate labeling, many still require user interaction throughout the…

Machine Learning · Computer Science 2021-06-09 Kyle M. Hart , Ari B. Goodman , Ryan P. O'Shea

This paper presents an automated software toolchain for synthesizing hardware-implementable analog circuits that solve constrained optimization problems. The proposed toolchain supports nonlinear objective functions with linear and…

Systems and Control · Electrical Eng. & Systems 2026-04-22 Sachin Khoja , Kamlesh Sawant , Palak Jain , Sairaj Dhople , Jason Poon

The limited number of qubits per chip remains a critical bottleneck in quantum computing, motivating the use of distributed architectures that interconnect multiple quantum processing units (QPUs). However, executing quantum algorithms…

Quantum Physics · Physics 2026-01-21 Brayden Goldstein-Gelb , Kun Liu , John M. Martyn , Hengyun , Zhou , Yongshan Ding , Yuan Liu

The parallel orbital-updating approach is an orbital/eigenfunction iteration based approach for solving eigenvalue problems when many eigenpairs are required. It has been proven to be efficient, for instance, in electronic structure…

Numerical Analysis · Mathematics 2025-07-08 Xiaoying Dai , Yan Li , Bin Yang , Aihui Zhou

Given a quantum algorithm, it is highly nontrivial to devise an efficient sequence of physical gates implementing the algorithm on real hardware and incorporating topological quantum error correction. In this paper, we present a first step…

Quantum Physics · Physics 2016-08-10 Alexandru Paler , Simon J. Devitt , Austin G. Fowler

A key challenge of supervised learning is the availability of human-labeled data. We evaluate a big data processing pipeline to auto-generate labels for remote sensing data. It is based on rasterized statistical features extracted from…

Image and Video Processing · Electrical Eng. & Systems 2022-02-02 Conrad M Albrecht , Fernando Marianno , Levente J Klein

The proliferation of satellite constellations, coupled with reduced tasking latency and diverse sensor capabilities, has expanded the opportunities for automated Earth observation. This paper introduces a fully automated Tip-and-Cue…

Computer Vision and Pattern Recognition · Computer Science 2025-12-11 Gil Weissman , Amir Ivry , Israel Cohen

In this paper, we introduce Context-Aware Priority Sampling (CAPS), a novel method designed to enhance data efficiency in learning-based autonomous driving systems. CAPS addresses the challenge of imbalanced datasets in imitation learning…

Multi-agent coordination in automated warehouses and logistics is commonly modeled as the Multi-Agent Path Finding (MAPF) problem. Closed-loop MAPF algorithms improve scalability by planning only the next movement and replanning online, but…

Robotics · Computer Science 2026-04-02 Jiarui Li , Runyu Zhang , Gioele Zardini

Successful application of machine learning models to real-world prediction problems, e.g. financial forecasting and personalized medicine, has proved to be challenging, because such settings require limiting and quantifying the uncertainty…

Machine Learning · Computer Science 2020-09-15 Yao Zhang , William Zame , Mihaela van der Schaar

The Python package pyABC provides a framework for approximate Bayesian computation (ABC), a likelihood-free parameter inference method popular in many research areas. At its core, it implements a sequential Monte-Carlo (SMC) scheme, with…

Quantitative Methods · Quantitative Biology 2022-03-25 Yannik Schälte , Emmanuel Klinger , Emad Alamoudi , Jan Hasenauer

Approximate Bayesian Computation (ABC) is a statistical learning technique to calibrate and select models by comparing observed data to simulated data. This technique bypasses the use of the likelihood and requires only the ability to…

Computation · Statistics 2021-05-04 Pierre-Olivier Goffard , Patrick J. Laub