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Deep neural networks achieve superior performance for learning from independent and identically distributed (i.i.d.) data. However, their performance deteriorates significantly when handling out-of-distribution (OoD) data, where the…

Machine Learning · Computer Science 2023-07-25 Haoyue Bai , Ceyuan Yang , Yinghao Xu , S. -H. Gary Chan , Bolei Zhou

Deep Learning systems have achieved great success in the past few years, even surpassing human intelligence in several cases. As of late, they have also established themselves in the biomedical and healthcare domains, where they have shown…

Machine Learning · Computer Science 2022-10-06 Aristotelis Ballas , Christos Diou

Effective computational search holds great potential for aiding the discovery of High-Temperature Superconductors (HTSs), especially given the lack of systematic methods for their discovery. Recent progress has been made in this area with…

Superconductivity · Physics 2024-05-10 Samuel Yuan , S. V. Dordevic

The high-dimensional or sparse reward task of a reinforcement learning (RL) environment requires a superior potential controller such as hierarchical reinforcement learning (HRL) rather than an atomic RL because it absorbs the complexity of…

Machine Learning · Computer Science 2021-07-20 JaeYoon Kim , Junyu Xuan , Christy Liang , Farookh Hussain

We employ a simple and mostly accurate dimensional interpolation formula using dimensional limits $D=1$ and $D=\infty$ to obtain $D=3$ ground-state energy of metallic hydrogen. We also present results describing the phase transitions for…

Strongly Correlated Electrons · Physics 2020-11-19 Kumar J. B. Ghosh , Sabre Kais , Dudley R. Herschbach

In the field of Artificial Intelligence (AI) and Machine Learning (ML), the approximation of unknown target functions $y=f(\mathbf{x})$ using limited instances $S={(\mathbf{x^{(i)}},y^{(i)})}$, where $\mathbf{x^{(i)}} \in D$ and $D$…

Machine Learning · Computer Science 2023-08-14 Pablo Moscato , Mohammad Nazmul Haque , Kevin Huang , Julia Sloan , Jon C. de Oliveira

We consider time discretization methods for abstract parabolic problems with inhomogeneous linear constraints. Prototype examples that fit into the general framework are the heat equation with inhomogeneous (time dependent) Dirichlet…

Numerical Analysis · Mathematics 2018-06-14 Igor Voulis , Arnold Reusken

Attribute extrapolation in sample generation is challenging for deep neural networks operating beyond the training distribution. We formulate a new task for extrapolation in sequence generation, focusing on natural language and proteins,…

Machine Learning · Computer Science 2021-10-27 Alvin Chan , Ali Madani , Ben Krause , Nikhil Naik

We study the problem of choosing algorithm hyper-parameters in unsupervised domain adaptation, i.e., with labeled data in a source domain and unlabeled data in a target domain, drawn from a different input distribution. We follow the…

Diffusion models, a specific type of generative model, have achieved unprecedented performance in recent years and consistently produce high-quality synthetic samples. A critical prerequisite for their notable success lies in the presence…

Machine Learning · Computer Science 2024-11-01 Yidong Ouyang , Liyan Xie , Hongyuan Zha , Guang Cheng

Machine learning driven object detection and classification within non-visible imagery has an important role in many fields such as night vision, all-weather surveillance and aviation security. However, such applications often suffer due to…

Computer Vision and Pattern Recognition · Computer Science 2026-03-02 Hiroshi Sasaki , Chris G. Willcocks , Toby P. Breckon

Cell detection is an important task in biomedical research. Recently, deep learning methods have made it possible to improve the performance of cell detection. However, a detection network trained with training data under a specific…

Computer Vision and Pattern Recognition · Computer Science 2023-03-10 Hyeonwoo Cho , Kazuya Nishimura , Kazuhide Watanabe , Ryoma Bise

Accelerated gradient methods like Nesterov's Accelerated Gradient (NAG) achieve faster convergence on well-conditioned problems but often diverge on ill-conditioned or non-convex landscapes due to aggressive momentum accumulation. We…

Machine Learning · Computer Science 2025-12-12 Sarwan Ali

Extrapolation remains a grand challenge in deep neural networks across all application domains. We propose an operator learning method to solve time-dependent partial differential equations (PDEs) continuously and with extrapolation in time…

Machine Learning · Computer Science 2023-12-12 Oded Ovadia , Vivek Oommen , Adar Kahana , Ahmad Peyvan , Eli Turkel , George Em Karniadakis

The hadron resonance gas (HRG) is a widely used description of matter under extreme conditions, e.g. in the context of heavy-ion phenomenology. Commonly used implementations of the HRG employ vacuum hadron masses throughout the hadronic…

High Energy Physics - Lattice · Physics 2019-04-17 Gert Aarts , Chris Allton , Davide De Boni , Benjamin Jäger

Avoiding the risk of undefined categorical labels using nearest neighbor interpolation overlooks the risk of exacerbating pixel level annotation errors in augmented training data. Additionally, the inherent low pass filtering effects of…

Computer Vision and Pattern Recognition · Computer Science 2026-05-15 Olivier Rukundo

This study presents a generative optimization framework based on a guided denoising diffusion probabilistic model (DDPM) that leverages surrogate gradients to generate heat sink designs minimizing pressure drop while maintaining surface…

Machine Learning · Computer Science 2025-11-14 Hadi Keramati , Morteza Sadeghi , Rajeev K. Jaiman

A number of key scientific computing applications that are based upon tensor-product grid constructions, such as numerical weather prediction (NWP) and combustion simulations, require property-preserving interpolation. Essentially…

Numerical Analysis · Mathematics 2022-10-18 Timbwaoga A. J. Ouermi , Robert M. Kirby , Martin Berzins

Appropriately evaluating the discrepancy between domains is essential for the success of unsupervised domain adaptation. In this paper, we first point out that existing discrepancy measures are less informative when complex models such as…

Machine Learning · Statistics 2019-10-23 Jongyeong Lee , Nontawat Charoenphakdee , Seiichi Kuroki , Masashi Sugiyama

Numerically solving a large parametric nonlinear dynamical system is challenging due to its high complexity and the high computational costs. In recent years, machine-learning-aided surrogates are being actively researched. However, many…

Machine Learning · Computer Science 2024-10-18 Shuwen Sun , Lihong Feng , Peter Benner