• An aspiring AI researcher and engineering student, exploring AI4Science, Biomedical AI, Graph Neural Networks (GNNs), AI Agents and Reasoning, with an emphasis on structural biology, therapeutic, clinical, and molecular ML domains. Along with GNN, my other research interests include interdisciplinary research in AI agents and Human-Centered AI (HCI, HAI) with NLP (Multilinguality, Bias and Fairness).
• I am looking forward to pursue a PhD in Spring/Fall 2026 to continue research and looking for potential options.
• I collaborate with Prof. Alshehri (KSU) on Generative AI, health informatics, GNNs, and AI agents; and Prof. Chae (HYU) on GenAI, LLM-HCI, and Biomolecular ML with GNNs.
• I also work with Riashat Islam (Microsoft Research) on molecular ML, GenAI, agents, and reasoning; and with Prof. Min Xu (CMU) on biomolecules. I actively collaborate with researchers from Cohere Labs (formerly Cohere for AI), Harvard, and more. Completed HTGAA 2025 (MIT), focusing on protein engineering.
• At CIOL, I collaborate with Prof. AMM Mukaddes (SUST), Prof. Ahsan (OU), and Prof. Bappy (LSU) on GNNs, agents, and digital twins for industrial and medical applications.
• My works has been published in prestigious venues such as ICLR, WWW, COLING, DASFAA, ACCV, CSCW, Workshops of NeurIPS, AAAI, ICML, ACL and CHI, with ongoing reviews in some others.
• Outside research, I have work experience in AI-integrated IT Automation, Project - Product Management and Analytics roles. I'm also the 3rd Kaggle Grandmaster of BD.
• Passionate about learning new things, sharing my knowledge, improving myself regularly, experimenting with acquired skills and challenging my capabilities. Building all-in-one free AI/ML resources collection here.

• 🧬 Exploring Computational Biology and Biomedical AI Applications: Working on Computational Molecular Biology, Bioinformatics, and Drug Discovery, focusing on molecular property prediction, protein discovery, and binder design. Experienced in de novo protein generation, RL/energy-guided modeling with GNNs, Flow Matching, GFlowNets, and Diffusion models. Exploring Digital Twins, clinical reasoning and Agentic LLMs for clinical/biomedical applications.
• 💠 Understanding and Applying Graph Neural Networks (GNN): Engaged in Geometric Machine Learning, focusing on GNN theories and applications, with an emphasis on biomedical AI applications as described above. Additionally, applying GNNs to industrial engineering, specifically in supply chain optimization and manufacturing. Interested in the application of knowledge graphs (extending GNNs) across diverse systems and domains.
• 🧑‍💻 Interdisciplinary Research on Humans, AI, and Language: Working on RL and reasoning in LLMs, focusing on self-verification, uncertainty estimation, and agentic decision-making in generative models, with AI4Good applications. My recent work develops trustworthy AI reasoning by integrating RAG, reward-based RL fine-tuning, Digital Twins, and structured reasoning to enhance model reliability. Additionally, in AI for Good, Worked on multilinguality, accessibility, fairness, human factors, and cultural values in Generative AI and LLMs.

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• Languages: Python (Advanced), C, C++, MATLAB, R, SQL
• DS & ML Tools (Python): NumPy, Pandas, Matplotlib, Seaborn, Scikit-learn, TensorFlow, PyTorch, LangChain, VLLM, Pydantic
• Data Science Techniques: EDA, Experiment Design, Hypothesis Testing, Sampling, and Data-Driven Decision Making
• Machine Learning Techniques: Statistical ML Methods, Deep Learning, NLP, Computer Vision, Graph Neural Networks (GNNs), GFlowNets, Flow Matching, Diffusion Models, RL and Reasoning in LLMs, Self-Verification, Uncertainty, Agentic Decision-Making, AI Reasoning, RAG, and Reward-Based RL Fine-Tuning
• Biomedical AI and Clinical Applications: Molecular Properties, Binder Design, Molecular Interaction, De Novo Protein Design, GNNs, RL/Energy-Guided Modeling, Generative Modeling with Flow Matching and Graph Diffusion, Reward-Based Generative AI, Agentic LLMs, Knowledge Graphs, AI-based Drug Discovery and Genomics
• Interdisciplinary AI Research: AI for Good, Multilinguality, Accessibility, Fairness, Human Factors, Local and Cultural Values
• Others: GitHub, Collaborative Tools (AMs, VS Code, Azure, AnyScale, Replit, Colab, Kaggle), Parallel & Distributed Computing