activity
20242026
most citedDecoding Non-Linearity and Complexity: Deep Tabular Learning Approaches for Materials Science

7 citations · 12 across the 7 of their papers we have counts for

collaborators

7 papers

cond-mat.mtrl-sci2026

Surrogate-Gated Generation and Foundation-Model Embeddings for Bayesian Materials Design

Sk Md Ahnaf Akif Alvi, Jan Janssen, Danny Perez +2

Closed-loop materials discovery iterates between proposing candidate structures and evaluating their properties, and property evaluation dominates the cost. In the generative varia…

cs.LG2026

DataScribe: An AI-Native, Policy-Aligned Web Platform for Multi-Objective Materials Design and Discovery

Divyanshu Singh, Doguhan Sarıtürk, Cameron Lea +3

The acceleration of materials discovery requires digital platforms that go beyond data repositories to embed learning, optimization, and decision-making directly into research work…

cond-mat.mtrl-sci2025

Deep Gaussian Process-based Cost-Aware Batch Bayesian Optimization for Complex Materials Design Campaigns

Sk Md Ahnaf Akif Alvi, Brent Vela, Vahid Attari +4

The accelerating pace and expanding scope of materials discovery demand optimization frameworks that efficiently navigate vast, nonlinear design spaces while judiciously allocating…

cond-mat.mtrl-sci2025

Data Driven Insights into Composition Property Relationships in FCC High Entropy Alloys

Nicolas Flores, Daniel Salas Mula, Wenle Xu +15

Structural High Entropy Alloys (HEAs) are crucial in advancing technology across various sectors, including aerospace, automotive, and defense industries. However, the scarcity of…

cs.LG2025

Accurate and Uncertainty-Aware Multi-Task Prediction of HEA Properties Using Prior-Guided Deep Gaussian Processes

Sk Md Ahnaf Akif Alvi, Mrinalini Mulukutla, Nicolas Flores +6

Surrogate modeling techniques have become indispensable in accelerating the discovery and optimization of high-entropy alloys(HEAs), especially when integrating computational predi…

cond-mat.mtrl-sci2025★ 5 cited

Microstructure-Aware Bayesian Materials Design

Danial Khatamsaz, Vahid Attari, Raymundo Arroyave

In this study, we propose a novel microstructure-sensitive Bayesian optimization (BO) framework designed to enhance the efficiency of materials discovery by explicitly incorporatin…

cond-mat.mtrl-sci2024★ 7 cited

Decoding Non-Linearity and Complexity: Deep Tabular Learning Approaches for Materials Science

Vahid Attari, Raymundo Arroyave

Materials data, especially those related to high-temperature properties, pose significant challenges for machine learning models due to extreme skewness, wide feature ranges, modal…