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Ajay Annamareddy

dblp:201/8891 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2026
—ORCID · unresolved

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021Graphics, computer vision, multimedia, augmented reality and games · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Computational science and engineering · 50% Energy systems and smart grids · 50%

Topics — the 2 heaviest of 2, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Energy systems and smart grids
energy forecasting
1.012026
Physical-regularized Hierarchical Generative Model for Metallic Glass Structural Generation and Energy Prediction · AAAI 2026
Computational science and engineering
materials informatics
1.012026
Physical-regularized Hierarchical Generative Model for Metallic Glass Structural Generation and Energy Prediction · AAAI 2026

Methods — techniques the papers use, named apart from their topics

radial distribution function loss · 1.0physics-informed regularization · 1.0graph variational autoencoder · 1.0
YearPublicationVenuePosition
2026 Physical-regularized Hierarchical Generative Model for Metallic Glass Structural Generation and Energy Prediction
abstract
Disordered materials such as glasses, unlike crystals, lack long‑range atomic order and have no periodic unit cells, yielding a high‑dimensional configuration space with widely varying properties. The complexity not only increases computational costs for atomistic simulations but also makes it difficult for generative AI models to deliver accurate property predictions and realistic structure generation. In this work, we introduce GlassVAE, a hierarchical graph variational autoencoder that uses graph representations to learn compact, translation‑, and permutation‑invariant embeddings of atomic configurations. The resulting structured latent space not only enables efficient generation of novel, physically plausible structures but also supports exploration of the glass energy landscape. To enforce structural realism and physical fidelity, we augment GlassVAE with two physics‑informed regularizers: a radial distribution function (RDF) loss that captures characteristic short‑ and medium‑range ordering and an energy regression loss that reflects the broad configurational energetics. Both theoretical analysis and experimental results highlight the critical impact of these regularizers. By encoding high‑dimensional atomistic data into a compact latent vector and decoding it into structures with accurate energy predictions, GlassVAE provides a fast, physics‑aware path for modeling and designing disordered materials.
Ajay Annamareddy, Ying-Fei Li, Dane Morgan, Bu Wang
AAAI2