Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science

Development of Some Novel Spatial-Domain and Transform-Domain Digital Image Filters

Some spatial-domain and transform-domain digital image filtering algorithms have been developed in this thesis to suppress additive white Gaussian noise (AWGN). In many occasions, noise in digital images is found to be additive in nature with uniform power in the whole bandwidth and with Gaussian probability distribution. Such a noise is referred to as Additive White Gaussian Noise (AWGN). It is difficult to suppress AWGN since it corrupts almost all pixels in an image. The arithmetic mean filter, commonly known as Mean filter, can be employed to suppress AWGN but it introduces a blurring effect. Image denoising is usually required to be performed before display or further processing like segmentation, feature extraction, object recognition, texture analysis, etc. The purpose of denoising is to suppress the noise quite efficiently while retaining the edges and other detailed features as much as possible

Estimating the Joint Spectral Radius of a Nonseparable Multiwavelet

The joint spectral radius ρ of 2 matrices is related to the boundedness of all their products. Calculating ρ is known to be NP-hard. In this work we estimate the joint spectral radius associated to a bidimensional separable multiwavelet, in order to analyze its Hölder continuity. To the author’s knowledge this has not been done. The analysis aims at testing the aplicability of the multiwavelet transform to those aspects of image processing where continuous basis functions perform best, such as image synthesis, image magnification and image compression. We adapt an algorithm due to Heil and Colella, that works for unidimensional wavelets, to our more complex setting, to prove that ρ<1, and show the performance of the multiwavelet for image magnification

Six Decades of Flight Research: An Annotated Bibliography of Technical Publications of NASA Dryden Flight Research Center, 1946-2006

Titles, authors, report numbers, and abstracts are given for nearly 2900 unclassified and unrestricted technical reports and papers published from September 1946 to December 2006 by the NASA Dryden Flight Research Center and its predecessor organizations. These technical reports and papers describe and give the results of 60 years of flight research performed by the NACA and NASA, from the X-1 and other early X-airplanes, to the X-15, Space Shuttle, X-29 Forward Swept Wing, X-31, and X-43 aircraft. Some of the other research airplanes tested were the D-558, phase 1 and 2; M-2, HL-10 and X-24 lifting bodies; Digital Fly-By-Wire and Supercritical Wing F-8; XB-70; YF-12; AFTI F-111 TACT and MAW; F-15 HiDEC; F-18 High Alpha Research Vehicle, F-18 Systems Research Aircraft and the NASA Landing Systems Research aircraft. The citations of reports and papers are listed in chronological order, with author and aircraft indices. In addition, in the appendices, citations of 270 contractor reports, more than 200 UCLA Flight System Research Center reports, nearly 200 Tech Briefs, 30 Dryden Historical Publications, and over 30 videotapes are included