Related papers: Space Group Equivariant Crystal Diffusion
Time-variant systems have recently garnered considerable attention due to their unique potentials in manipulating electromagnetic waves. Here, a novel class of topological spacetime crystals is introduced, with a traveling-wave modulation…
Self-supervised learning has proved effective for skeleton-based human action understanding. However, previous works either rely on contrastive learning that suffers false negative problems or are based on reconstruction that learns too…
The coset construction is a powerful tool for building theories that non-linearly realize symmetries. We show that when the symmetry group is not semisimple and includes spacetime symmetries, different parametrizations of the coset space…
The generation of 3D molecules requires simultaneously deciding the categorical features~(atom types) and continuous features~(atom coordinates). Deep generative models, especially Diffusion Models (DMs), have demonstrated effectiveness in…
This paper presents a spatial two-grid (STG) compact difference scheme for a two-dimensional (2D) nonlinear diffusion-wave equation with variable exponent, which describes, e.g., the propagation of mechanical diffusive waves in viscoelastic…
We apply one of the formalisms of noncommutative geometry to $R^N_q$, the quantum space covariant under the quantum group $SO_q(N)$. Over $R^N_q$ there are two $SO_q(N)$-covariant differential calculi. For each we find a frame, a metric and…
The design of crystal materials plays a critical role in areas such as new energy development, biomedical engineering, and semiconductors. Recent advances in data-driven methods have enabled the generation of diverse crystal structures.…
Discovering new materials is a challenging task in materials science crucial to the progress of human society. Conventional approaches based on experiments and simulations are labor-intensive or costly with success heavily depending on…
Deep learning-based generative models have emerged as powerful tools for modeling complex data distributions and generating high-fidelity samples, offering a transformative approach to efficiently explore the configuration space of…
We find the complete equivalence group of a class of (1+1)-dimensional second-order evolution equations, which is infinite-dimensional. The equivariant moving frame methodology is invoked to construct, in the regular case of the…
We consider divergent orbits of the group of diagonal matrices in the space of lattices in Euclidean space. We define two natural numerical invariants of such orbits: The discriminant - an integer - and the type - an integer vector. We then…
We investigate the landscape of 6d $\mathcal{N}=(1,0)$ D-type orbi-instanton superconformal field theories (SCFTs) and their torus compactifications to four-dimensional class $\mathcal{S}$ theories. By analysing a general class of 6d…
The formation of a phase of matter can be associated with the spontaneous breaking of a symmetry. For crystallization, this broken symmetry is the spatial translation symmetry, as the atoms spontaneously localize in a periodic fashion. In…
Geometric information such as the space groups and crystal systems plays an important role in the properties of crystal materials. Prediction of crystal system and space group thus has wide applications in crystal material property…
The spontaneous breaking of time translation symmetry has led to the discovery of a new phase of matter - the discrete time crystal. Discrete time crystals exhibit rigid subharmonic oscillations, which result from a combination of many-body…
In recent years, progress has been made in generating new crystalline materials using generative machine learning models, though gaps remain in efficiently generating crystals based on target properties. This paper proposes the Con-CDVAE…
Artificially ordered Ge quantum dot (QD) arrays, where confined carriers can interact via exchange coupling, may create unique functionalities such as cluster qubits and spintronic bandgap systems. Development of such arrays for quantum…
The probability of finding a spherical "hole" of a given radius $r$ contains crucial structural information about many-body systems. Such hole statistics, including the void conditional nearest-neighbor probability functions $G_V(r)$, have…
The constant demand for new functional materials calls for efficient strategies to accelerate the materials design and discovery. In addressing this challenge, machine learning generative models can offer promising opportunities since they…
Discrete time crystals are a recently proposed and experimentally observed out-of-equilibrium dynamical phase of Floquet systems, where the stroboscopic evolution of a local observable repeats itself at an integer multiple of the driving…