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20232026
most citedBoKDiff: Best-of-K Diffusion Alignment for Target-Specific 3D Molecule Generation

1 citations · 2 across the 7 of their papers we have counts for

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cs.LG2026

Disentangling Marginal Capacity from Geometry in Optimal-Transport Label Transfer

Ali Khodabandeh Yalabadi, Azim Dehghani Amirabad, Artem Moskalev +4

Optimal transport (OT) is widely used to align distributions and transfer labels between unpaired source and target data, but source-target composition shifts can cause rare classe…

cs.LG2026

ConRetroBert: EMA Stabilized Dual Encoders for Template-Based Single-Step Retrosynthesis

Mohammad Jahid Ibna Basher, Ali Khodabandeh Yalabadi, Ivan Garibay +1

Template based single step retrosynthesis predicts reactants by selecting and applying an explicit reaction template, making each prediction traceable to a chemical transformation…

cs.LG2025

FairContrast: Enhancing Fairness through Contrastive learning and Customized Augmenting Methods on Tabular Data

Aida Tayebi, Ali Khodabandeh Yalabadi, Mehdi Yazdani-Jahromi +1

As AI systems become more embedded in everyday life, the development of fair and unbiased models becomes more critical. Considering the social impact of AI systems is not merely a…

cs.LG2024

Fair Bilevel Neural Network (FairBiNN): On Balancing fairness and accuracy via Stackelberg Equilibrium

Mehdi Yazdani-Jahromi, Ali Khodabandeh Yalabadi, AmirArsalan Rajabi +3

The persistent challenge of bias in machine learning models necessitates robust solutions to ensure parity and equal treatment across diverse groups, particularly in classification…

cs.LG2023

FragXsiteDTI: Revealing Responsible Segments in Drug-Target Interaction with Transformer-Driven Interpretation

Ali Khodabandeh Yalabadi, Mehdi Yazdani-Jahromi, Niloofar Yousefi +3

Drug-Target Interaction (DTI) prediction is vital for drug discovery, yet challenges persist in achieving model interpretability and optimizing performance. We propose a novel tran…