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Quantum particles under geometric constraints are sensitive to the geometry and topology of the underlying space. We analytically study the laser-driven nonlinear dynamics of a quantum particle whose motion is constrained to a…
Machine Learning (ML) techniques are revolutionizing the way to perform efficient materials modeling. Nevertheless, not all the ML approaches allow for the understanding of microscopic mechanisms at play in different phenomena. To address…
In a landscape where scientific discovery is increasingly driven by data, the integration of machine learning (ML) with traditional scientific methodologies has emerged as a transformative approach. This paper introduces a novel,…
Many real-world machine learning problems involve inherently hierarchical data, yet traditional approaches rely on Euclidean metrics that fail to capture the discrete, branching nature of hierarchical relationships. We present a theoretical…
Machine Learning (ML) has widely been used for modeling and predicting physical systems. These techniques offer high expressive power and good generalizability for interpolation within observed data sets. However, the disadvantage of…
Computational modeling of aerodynamics is a key problem in aerospace engineering, often involving flows interacting with solid objects such as airfoils. Deep surrogate models have emerged as purely data-driven approaches that learn direct…
Learning useful representations is a key ingredient to the success of modern machine learning. Currently, representation learning mostly relies on embedding data into Euclidean space. However, recent work has shown that data in some domains…
In recent years, machine learning has demonstrated impressive capability in handling molecular science tasks. To support various molecular properties at scale, machine learning models are trained in the multi-task learning paradigm.…
Supervised manifold learning methods learn data representations by preserving the geometric structure of data while enhancing the separation between data samples from different classes. In this work, we propose a theoretical study of…
Incorporating the Hamiltonian structure of physical dynamics into deep learning models provides a powerful way to improve the interpretability and prediction accuracy. While previous works are mostly limited to the Euclidean spaces, their…
Aerosol particles play an important role in the climate system by absorbing and scattering radiation and influencing cloud properties. They are also one of the biggest sources of uncertainty for climate modeling. Many climate models do not…
Machine learning has proven to be a valuable tool to approximate functions in high-dimensional spaces. Unfortunately, analysis of these models to extract the relevant physics is never as easy as applying machine learning to a large dataset…
Warped products are one of the simplest families of Riemannian manifolds that can have non-trivial geometries. In this article, we characterize the geometry of hypersurface embeddings arising from warped product manifolds using the language…
The answers to many unsolved problems lie in the intractable chemical space of molecules and materials. Machine learning techniques are rapidly growing in popularity as a way to compress and explore chemical space efficiently. One of the…
At the extreme energies of the Large Hadron Collider, massive particles can be produced at such high velocities that their hadronic decays are collimated and the resulting jets overlap. Deducing whether the substructure of an observed jet…
Non-Euclidean constraints are inherent in many kinds of data in computer vision and machine learning, typically as a result of specific invariance requirements that need to be respected during high-level inference. Often, these geometric…
Modeling complex spatiotemporal dynamics, particularly in far-from-equilibrium systems, remains a grand challenge in science. The governing partial differential equations (PDEs) for these systems are often intractable to derive from first…
Euclidean deep learning is often inadequate for addressing real-world signals where the representation space is irregular and curved with complex topologies. Interpreting the geometric properties of such feature spaces has become paramount…
Machine learning (ML) methods have become powerful tools for predicting material properties with near first-principles accuracy and vastly reduced computational cost. However, the performance of ML models critically depends on the quality,…
Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…