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Deep-learning density functional theory (DFT) shows great promise to significantly accelerate material discovery and potentially revolutionize materials research. However, current research in this field primarily relies on data-driven…

Computational Physics · Physics 2024-08-14 Yang Li , Zechen Tang , Zezhou Chen , Minghui Sun , Boheng Zhao , He Li , Honggeng Tao , Zilong Yuan , Wenhui Duan , Yong Xu

Synthetic network traffic generation has emerged as a promising alternative for various data-driven applications in the networking domain. It enables the creation of synthetic data that preserves real-world characteristics while addressing…

Networking and Internet Architecture · Computer Science 2026-04-16 Nirhoshan Sivaroopan , Kaushitha Silva , Chamara Madarasingha , Thilini Dahanayaka , Guillaume Jourjon , Anura Jayasumana , Kanchana Thilakarathna

The increasing frequency of extreme weather events has posed significant risks to the operation of power grids. During long-duration extreme weather events, microgrid formation (MF) is an essential solution to enhance the resilience of the…

Systems and Control · Electrical Eng. & Systems 2024-06-03 Ziang Liu , Sheng Cai , Qiuwei Wu , Xinwei Shen , Xuan Zhang , Nikos Hatziargyriou

In this paper, we review some recent results about the use of dynamic observers for fault diagnosis of discrete event systems. Fault diagnosis consists in synthesizing a diagnoser that observes a given plant and identifies faults in the…

Formal Languages and Automata Theory · Computer Science 2010-04-19 Franck Cassez , Stavros Tripakis

Multi-stage decision problems under uncertainty can be efficiently solved with the Stochastic Dual Dynamic Programming (SDDP) algorithm. However, traditional implementations require all stage problems to be feasible. Feasibility is usually…

Optimization and Control · Mathematics 2025-12-04 Guilherme Freitas , Luiz Carlos da Costa Junior , Tiago Andrade , Alexandre Street

Conventional generative models for materials discovery are predominantly trained and validated using data from Density Functional Theory (DFT) with approximate exchange-correlation functionals. This creates a fundamental bottleneck: these…

Artificial Intelligence · Computer Science 2026-04-30 Mahule Roy

Diffusion probabilistic models have been recently used in a variety of tasks, including speech enhancement and synthesis. As a generative approach, diffusion models have been shown to be especially suitable for imputation problems, where…

Audio and Speech Processing · Electrical Eng. & Systems 2023-06-05 Tal Peer , Simon Welker , Timo Gerkmann

The emergence of latency-critical AI applications has been supported by the evolution of the edge computing paradigm. However, edge solutions are typically resource-constrained, posing reliability challenges due to heightened contention for…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-05 Shreshth Tuli , Giuliano Casale , Ludmila Cherkasova , Nicholas R. Jennings

Despite the eminent successes of deep neural networks, many architectures are often hard to transfer to irregularly-sampled and asynchronous time series that commonly occur in real-world datasets, especially in healthcare applications. This…

Machine Learning · Computer Science 2020-09-16 Max Horn , Michael Moor , Christian Bock , Bastian Rieck , Karsten Borgwardt

As one type of machine-learning model, a "decision-tree ensemble model" (DTEM) is represented by a set of decision trees. A DTEM is mainly known to be valid for structured data; however, like other machine-learning models, it is difficult…

Software Engineering · Computer Science 2020-05-25 Naoto Sato , Hironobu Kuruma , Yuichiroh Nakagawa , Hideto Ogawa

Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…

Quantum Physics · Physics 2026-05-18 Namrata Manglani , Samrit Kumar Maity , Shashank Sharma , Soham Phulare , Sanjay Wandhekar

Time series synthesis is an effective approach to ensuring the secure circulation of time series data. Existing time series synthesis methods typically perform temporal modeling based on random sequences to generate target sequences, which…

Machine Learning · Computer Science 2025-09-01 Xuan Hou , Shuhan Liu , Zhaohui Peng , Yaohui Chu , Yue Zhang , Yining Wang

This paper investigates synthetic data generation strategies in developing generative retrieval models for domain-specific corpora, thereby addressing the scalability challenges inherent in manually annotating in-domain queries. We study…

Computation and Language · Computer Science 2025-02-26 Haoyang Wen , Jiang Guo , Yi Zhang , Jiarong Jiang , Zhiguo Wang

Current synthetic data pipelines for computer vision generate images without diagnosing what the downstream model actually needs. This open-loop paradigm treats synthetic data as cheap real data, randomly sampling the generator's output…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Krisanu Sarkar

Domain Generalization techniques aim to enhance model robustness by simulating novel data distributions during training, typically through various augmentation or stylization strategies. However, these methods frequently suffer from limited…

Computer Vision and Pattern Recognition · Computer Science 2024-12-20 Mehrdad Noori , Milad Cheraghalikhani , Ali Bahri , Gustavo Adolfo Vargas Hakim , David Osowiechi , Moslem Yazdanpanah , Ismail Ben Ayed , Christian Desrosiers

This paper proposes the automatic Doubly Robust Random Forest (DRRF) algorithm for estimating the conditional expectation of a moment functional in the presence of high-dimensional nuisance functions. DRRF extends the automatic debiasing…

Methodology · Statistics 2025-06-10 Zhaomeng Chen , Junting Duan , Victor Chernozhukov , Vasilis Syrgkanis

Classical dynamical density functional theory (DDFT) has become one of the central modeling approaches in nonequilibrium soft matter physics. Recent years have seen the emergence of novel and interesting fields of application for DDFT. In…

Soft Condensed Matter · Physics 2023-03-21 Michael te Vrugt , Raphael Wittkowski

Synthetic data generation has become an emerging tool to help improve the adversarial robustness in classification tasks since robust learning requires a significantly larger amount of training samples compared with standard classification…

Machine Learning · Computer Science 2023-07-06 Yidong Ouyang , Liyan Xie , Guang Cheng

Distribution system state estimation (DSSE) is paramount for effective state monitoring and control. However, stochastic outputs of renewables and asynchronous streaming of multi-rate measurements in practical systems largely degrade the…

Systems and Control · Electrical Eng. & Systems 2023-10-23 Ying Zhang , Junbo Zhao , Di Shi , Sungjoo Chung

The analysis of DNA sequences has become critical in numerous fields, from evolutionary biology to understanding gene regulation and disease mechanisms. While deep neural networks can achieve remarkable predictive performance, they…

Machine Learning · Computer Science 2026-04-15 Nicolas Huynh , Krzysztof Kacprzyk , Ryan Sheridan , David Bentley , Mihaela van der Schaar
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