activity
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

collaborators

8 papers

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…

q-bio.QM2025

Equi-mRNA: Protein Translation Equivariant Encoding for mRNA Language Models

Mehdi Yazdani-Jahromi, Ali Khodabandeh Yalabadi, Ozlem Ozmen Garibay

The growing importance of mRNA therapeutics and synthetic biology highlights the need for models that capture the latent structure of synonymous codon (different triplets encoding…

q-bio.BM2025★ 1 cited

BoKDiff: Best-of-K Diffusion Alignment for Target-Specific 3D Molecule Generation

Ali Khodabandeh Yalabadi, Mehdi Yazdani-Jahromi, Ozlem Ozmen Garibay

Structure-based drug design (SBDD) leverages the 3D structure of biomolecular targets to guide the creation of new therapeutic agents. Recent advances in generative models, includi…

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.MA2024

Agent-Based Modeling of C. Difficile Spread in Hospitals: Assessing Contribution of High-Touch vs. Low-Touch Surfaces and Inoculations' Containment Impact

Sina Abdidizaji, Ali Khodabandeh Yalabadi, Mehdi Yazdani-Jahromi +2

Health issues and pandemics remain paramount concerns in the contemporary era. Clostridioides Difficile Infection (CDI) stands out as a critical healthcare-associated infection wit…