Related papers: AFLOW-SYM: Platform for the complete, automatic an…
We present FoundationSLAM, a learning-based monocular dense SLAM system that addresses the absence of geometric consistency in previous flow-based approaches for accurate and robust tracking and mapping. Our core idea is to bridge flow…
Point Group (PG) symmetries play a fundamental role in many aspects of theoretical chemistry and computational materials science. With the objective to automatize the search of PG symmetry operations of generic atomic clusters, we present a…
Quantum technologies like single photon emitters and qubits can be enabled by point defects in semiconductors, with the NV-center in diamond being the most prominent example. There are many different semiconductors, each potentially hosting…
The prediction of material structure from chemical composition has been a long-standing challenge in natural science. Although there have been various methodological developments and successes with computer simulations, the prediction of…
Analysis of XRD diffraction patterns is one of the keystones of materials science and materials research. With the advancement of data-driven methods for materials design, candidate materials can be quickly screened for the study of a…
Occlusions between consecutive frames have long posed a significant challenge in optical flow estimation. The inherent ambiguity introduced by occlusions directly violates the brightness constancy constraint and considerably hinders…
Machine learning (ML) offers powerful methods for detecting and modeling associations often in data with large feature spaces and complex associations. Many useful tools/packages (e.g. scikit-learn) have been developed to make the various…
Dedicated treatment of symmetries in satisfiability problems (SAT) is indispensable for solving various classes of instances arising in practice. However, the exploitation of symmetries usually takes a black box approach. Typically,…
Currently, identification of crystallization pathways in polymers is being carried out using molecular simulation-based data on a preset cut-off point on a single order parameter (OP) to define nucleated or crystallized regions. Aside from…
Interfaces between materials play a crucial role in the performance of most devices. However, predicting the structure of a material interface is computationally demanding due to the vast configuration space, which requires evaluating an…
Symmetry is a powerful tool for understanding phases of matter in equilibrium. Quantum circuits with measurements have recently emerged as a platform for novel states of matter intrinsically out of equilibrium. Can symmetry be used as an…
Safety validation for Level 4 autonomous vehicles (AVs) is currently bottlenecked by the inability to scale the detection of rare, high-risk long-tail scenarios using traditional rule-based heuristics. We present Deep-Flow, an unsupervised…
Accurate description of crystal structures is a prerequisite for predicting the physicochemical properties of materials. However, conventional X-ray diffraction (XRD) characterization often encounters intrinsic bottlenecks when applied to…
Site-occupancy disorder, defined as the non-periodic occupation of lattice sites in a crystal structure, is a ubiquitous phenomenon in solid-state physics and chemistry. Examples are mineral solid solutions, synthetic non-stoichiometric…
A new class of matching condition between the atomistic and continuum regions is presented for the multi-scale modeling of crystals. They ensure the accurate passage of large scale information between the atomistic and continuum regions and…
Recent advances in large language models (LLMs) and vision-language models (VLMs) have enabled powerful autonomous agents capable of complex reasoning and multi-modal tool use. Despite their growing capabilities, today's agent frameworks…
We report on a new algorithm for detection of crystallographic information in 3D, as retained in Atom Probe Tomography (APT), with improved robustness and signal detection performance. The algorithm is underpinned by 1D distribution…
Symmetry-breaking bifurcations, where a flow state with a certain symmetry undergoes a transition to state with a different symmetry, are ubiquitous in fluid mechanics. Much can be understood about the nature of these transitions from…
Recovering missing flows on the edges of a network, while exactly respecting local conservation laws, is a fundamental inverse problem that arises in many systems such as transportation, energy, and mobility. We introduce FlowSymm, a novel…
An instrument and software algorithm is described for the purpose of characterization of large single crystals at the Alignment Facility (ALF) of the ISIS spallation neutron source. We describe a method for both characterizing the quality…