The paper presents a cross‑modal learning framework that predicts three‑dimensional dislocation density fields directly from X‑ray diffraction data. By pairing simulated dislocation density fields with virtual diffraction patterns and embedding them into a shared 2‑D latent space via contrastive learning, the authors achieve strong alignment between structural and diffraction representations. Experiments show that model performance improves rapidly with dataset size, reaching near‑saturation with about 500 representative observations out of 10,000, and the predicted structures capture the dominant spatial features of the underlying microstructures.
arXiv:2607. 08470v1 Announce Type: new Abstract: Fully characterizing a crystalline material requires integrating heterogeneous data sources -- atomic structures, diffraction patterns, electronic density of states, and natural language -- each of which captures a different facet of the same physical object.
arXiv:2609.14348v1 Announce Type: cross Abstract: Heterogeneous interfaces dictate the performance and degradation of functional materials, making it essential to link local structural variations wit...
arXiv:2608. 13826v1 Announce Type: cross Abstract: Machine learning is increasingly used to learn structure property relationships from spectroscopic and diffraction data, yet its adoption in materials discovery is often limited by poor interpretability of model predictions.
arXiv:2608. 06448v1 Announce Type: cross Abstract: Recovering a periodic 3D crystal structure from sparse, unindexed electron diffraction (ED) observations is a challenging generative inverse problem.
arXiv:2606. 14003v1 Announce Type: cross Abstract: Determining the crystal structure of a material from its powder X-ray diffraction (PXRD) pattern is a central challenge in materials science.
arXiv:2606. 00776v1 Announce Type: new Abstract: Fast and accurate prediction of crystal properties is a central challenge in new materials design.
The paper introduces a data‑driven constitutive modeling framework that treats a material as a functional mapping from its entire strain history to stress response. It uses neural operators with causal attention and spectral convolutions to predict full stress trajectories in a single parallel forward pass, enforcing temporal path dependence without relying on internal state variables. The method is validated on multidimensional, rate‑independent plasticity and ductile damage models, achieving accurate, resolution‑invariant predictions with excellent parallel efficiency.
arXiv:2609.00059v1 Announce Type: cross Abstract: Materials property prediction remains difficult in low-data settings, where many target properties are supported by only a limited number of labeled...
arXiv:2606. 04000v1 Announce Type: cross Abstract: We present a probabilistic modeling framework for incorporating small-scale spatial heterogeneity into macroscopic descriptions of material behavior for polycrystalline metallic materials.
The paper introduces a data‑driven constitutive modeling framework that treats a deforming material as a functional mapping from its entire strain history to the corresponding stress response. By training on full loading paths as function‑to‑function mappings, the model predicts complete stress trajectories in a single parallel forward pass, using causal attention to enforce temporal path dependence and spectral convolutions for discretization‑invariant representations. The approach is validated on multidimensional, rate‑independent material models, accurately capturing nonlinear plasticity and ductile damage while achieving resolution invariance and excellent parallel efficiency.
arXiv:2606. 10547v1 Announce Type: cross Abstract: Energy Dispersive X-ray (EDX) tomography in Scanning Transmission Electron Microscopy (STEM) enables 3D compositional and elemental mapping at the nanoscale, but its use is limited by restricted tilt ranges and low-dose conditions required to avoid beam damage.
arXiv:2606. 09419v1 Announce Type: cross Abstract: Artificial intelligence is rapidly advancing materials characterization, yet most applications in electron microscopy rely solely on image contrast, overlooking the chemical and experimental context that shapes image formation.