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Adsorption of carbon monoxide (CO) on transition-metal surfaces is a prototypical process in surface sciences and catalysis. Despite its simplicity, it has posed great challenges to theoretical modeling. Pretty much all existing density…
Accurate material retrieval is critical for creating realistic 3D assets. Existing methods rely on datasets that capture shape-invariant and lighting-varied representations of materials, which are scarce and face challenges due to limited…
A primary challenge in developing synthetic spatial hearing systems, particularly underwater, is accurately modeling sound scattering. Biological organisms achieve 3D spatial hearing by exploiting sound scattering off their bodies to…
This study pioneers the application of Recursive Feature Machines (RFM) in QSPR modeling, introducing a tailored feature importance analysis approach to enhance interpretability. By leveraging deep feature learning through AGOP, RFM…
This paper reports on a scientometric analysis bolstered by human in the loop, domain experts, to examine the field of metal organic frameworks (MOFs) research. Scientometric analyses reveal the intellectual landscape of a field. The study…
It is important to develop sustainable processes in materials science and manufacturing that are environmentally friendly. AI can play a significant role in decision support here as evident from our earlier research leading to tools…
Advances in robotics, artificial intelligence, and machine learning are ushering in a new age of automation, as machines match or outperform human performance. Machine intelligence can enable businesses to improve performance by reducing…
We derive optimal filters on the sphere in the context of detecting compact objects embedded in a stochastic background process. The matched filter and the scale adaptive filter are derived on the sphere in the most general setting,…
Existing Mamba-based approaches in remote sensing change detection have enhanced scanning models, yet remain limited by their inability to capture long-range dependencies between image channels effectively, which restricts their feature…
Compressed Sensing Magnetic Resonance Imaging (CS-MRI) significantly accelerates MR data acquisition at a sampling rate much lower than the Nyquist criterion. A major challenge for CS-MRI lies in solving the severely ill-posed inverse…
Scanning probe microscopy (SPM) is a valuable technique by which one can investigate the physical characteristics of the surfaces of materials. However, its widespread use is hampered by the time-consuming nature of running an experiment…
Scalable generation of furniture layouts is essential for many applications in virtual reality, augmented reality, game development and synthetic data generation. Many existing methods tackle this problem as a sequence generation problem…
We propose a new method for compressing physics foundation models (PFMs) which is a new trend in AI for Science. While model compression is essential for reducing memory use and accelerating inference in large foundation models, it remains…
The recently proposed Magnetic Resonance Fingerprinting (MRF) technique can simultaneously estimate multiple parameters through dictionary matching. It has promising potentials in a wide range of applications. However, MRF introduces errors…
Metal-organic frameworks (MOFs) are highly promising for carbon capture, yet navigating their vast design space remains challenging. Recent deep generative models enable de novo MOF design but primarily act as feed-forward structure…
One-shot object detection aims at detecting novel objects according to merely one given instance. With extreme data scarcity, current approaches explore various feature fusions to obtain directly transferable meta-knowledge. Yet, their…
This work introduces an innovative parallel, fully-distributed finite element framework for growing geometries and its application to metal additive manufacturing. It is well-known that virtual part design and qualification in additive…
Through temporal shaping of the excitation signal, the complex-frequency scattering zeros of a lossless structure can be accessed, enabling a storage-release mechanism referred to as coherent virtual absorption. Practical demonstrations of…
High-throughput computational screening (HTCS) of gas adsorption in metal-organic frameworks (MOFs) typically relies on classical generic force fields such as the Universal Force Field (UFF), which are efficient but often fail to capture…
Nowadays there are algorithms, methods, and platforms that are being created to accelerate the discovery of materials that are able to absorb or adsorb $CO_2$ molecules that are in the atmosphere or during the combustion in power plants,…