Research Overview
My research develops topology-aware machine learning methods that combine ideas from algebraic topology, geometry, and modern deep learning. I am especially interested in problems where graph structure and higher-order interactions matter — molecules, biological networks, biomedical knowledge graphs, and cybersecurity knowledge graphs.
Three guiding questions drive the work:
- How can topology serve as an inductive bias for graph neural networks and Transformers?
- What are the right topological summaries for structured scientific data — molecules, pathways, knowledge graphs?
- How do we scale persistence-based methods to real-world AI systems with millions of nodes and edges?
Research Themes
🧮 Topological Data Analysis
Persistent homology, Euler characteristic curves, filtration-based descriptors, and stable topological summaries as inductive biases for ML.
🕸️ Graph Classification & Embeddings
Topology-aware Transformers and embeddings for graph-level tasks — TopoFormer, TopER.
📍 Node Classification
Spatial and contextual coordinates for node-level prediction — SCNode.
🔗 Link Prediction
Strong proximity-based baselines and dual-perspective methods on graphs and knowledge graphs — PROXI, DuoLink.
🧬 AI for Drug Discovery & Biology
Topological ML for identifying molecular compounds — including compounds targeting bacterial propionate metabolism.
🛡️ AI for Cybersecurity
Topology-aware retrieval and correlation across disparate cybersecurity knowledge graphs — TopoCorr-KG (ReliaQuest Innovation Challenge).
Current Projects
TopoCorr-KG 2026 – present · ReliaQuest
Topology-Aware Retrieval and Correlation Across Disparate Cybersecurity Knowledge Graphs. AI-driven methods for retrieving and correlating information across fragmented cybersecurity knowledge graphs (MITRE ATT&CK, CVE/NVD, internal SOC graphs) to improve cyber threat analysis and decision-making.
PI: A. Tola · Co-PI: M. Asllani · GTA: Ece Karacam · UTA: Sebastian Powers
TopoFormer ICLR 2026
Topology Meets Attention for Graph Learning. A lightweight, scalable Transformer framework that encodes graph topology into ordered token sequences via a novel Topo-Scan module. Bypasses persistence diagrams, comes with stability guarantees, and matches state-of-the-art on graph classification.
With MD J. Uddin (★ equal contribution), C. G. Akcora, B. Coskunuzer.
TopER NeurIPS 2025
Topological Embeddings in Graph Representation Learning. An interpretable, low-dimensional (2D) graph embedding grounded in topology. TopER fits a line to the (nodes, edges) trajectory across a filtration, producing a (pivot, growth) descriptor that scales to 100K-node graphs.
With F. M. Taiwo, C. G. Akcora, B. Coskunuzer. Project page.
SCNode TMLR 2025 · Node Classification
Spatial and Contextual Coordinates for Graph Representation Learning. A node-embedding framework that jointly captures spatial geometry and contextual neighborhood signal for richer node-level representations.
With MD J. Uddin, C. G. Akcora, B. Coskunuzer. PDF.
PROXI TMLR 2025 · Link Prediction
Challenging the GNNs for Link Prediction. A surprisingly strong proximity-based baseline that exposes how simple structural features can rival — and often beat — more complex GNNs on link prediction benchmarks.
With J. A. Myrich, B. Coskunuzer. PDF.
Bacterial Propionate Metabolism J. Mol. Graph. Model. 2026 · Drug Discovery
Identification of Molecular Compounds Targeting Bacterial Propionate Metabolism with Topological Machine Learning. Uses topological descriptors and ML to screen molecular compounds that disrupt bacterial propionate metabolic pathways.
With S. Aziz, D. Zhabilov, D. Winkler, M. Candas, B. Coskunuzer. bioRxiv.
DuoLink In preparation · Link Prediction
A Dual Perspective on Link Prediction via Line Graphs. Reformulates link prediction by jointly modeling a graph and its line graph, capturing both node–node and edge–edge interactions for stronger predictive performance.
With S. Kumar, B. Coskunuzer.
Team on TopoCorr-KG
Research Assistants
The TopoCorr-KG project at FSU is supported by Ece Karacam (GTA) and Sebastian Powers (UTA). Learn more on the project page.
Future students interested in topological ML, graph AI, or AI for cybersecurity / drug discovery are welcome to get in touch about upcoming opportunities.
Collaborators
I am fortunate to collaborate closely with researchers across mathematics, computer science, and the life sciences:
- Baris Coskunuzer — UT Dallas (Ph.D. advisor)
- Malbor Asllani — Assistant Professor, Florida State University (Mentor)
- Cuneyt Gurcan Akcora — University of Central Florida (TopER, TopoFormer, SCNode)
- Mehmet Candas, Duane Winkler — UT Dallas (Bacterial Propionate Metabolism)
- MD Joshem Uddin, Funmilola Mary Taiwo, Dannie Zhabilov, Jack A. Myrich, Surbhi Kumar , Shan Aziz