Sbodio, Marco Luca
Otter-Knowledge: benchmarks of multimodal knowledge graph representation learning from different sources for drug discovery
Lam, Hoang Thanh, Sbodio, Marco Luca, Galindo, Marcos Martínez, Zayats, Mykhaylo, Fernández-Díaz, Raúl, Valls, Víctor, Picco, Gabriele, Ramis, Cesar Berrospi, López, Vanessa
Recent research on predicting the binding affinity between drug molecules and proteins use representations learned, through unsupervised learning techniques, from large databases of molecule SMILES and protein sequences. While these representations have significantly enhanced the predictions, they are usually based on a limited set of modalities, and they do not exploit available knowledge about existing relations among molecules and proteins. In this study, we demonstrate that by incorporating knowledge graphs from diverse sources and modalities into the sequences or SMILES representation, we can further enrich the representation and achieve state-of-the-art results for drug-target binding affinity prediction in the established Therapeutic Data Commons (TDC) benchmarks. We release a set of multimodal knowledge graphs, integrating data from seven public data sources, and containing over 30 million triples. Our intention is to foster additional research to explore how multimodal knowledge enhanced protein/molecule embeddings can improve prediction tasks, including prediction of binding affinity. We also release some pretrained models learned from our multimodal knowledge graphs, along with source code for running standard benchmark tasks for prediction of biding affinity.
Envisioning a Human-AI collaborative system to transform policies into decision models
Lopez, Vanessa, Picco, Gabriele, Vejsbjerg, Inge, Hoang, Thanh Lam, Hou, Yufang, Sbodio, Marco Luca, Segrave-Daly, John, Moga, Denisa, Swords, Sean, Wei, Miao, Carroll, Eoin
Regulations govern many aspects of citizens' daily lives. Governments and businesses routinely automate these in the form of coded rules (e.g., to check a citizen's eligibility for specific benefits). However, the path to automation is long and challenging. To address this, recent global initiatives for digital government, proposing to simultaneously express policy in natural language for human consumption as well as computationally amenable rules or code, are gathering broad public-sector interest. We introduce the problem of semi-automatically building decision models from eligibility policies for social services, and present an initial emerging approach to shorten the route from policy documents to executable, interpretable and standardised decision models using AI, NLP and Knowledge Graphs. Despite the many open domain challenges, in this position paper we explore the enormous potential of AI to assist government agencies and policy experts in scaling the production of both human-readable and machine executable policy rules, while improving transparency, interpretability, traceability and accountability of the decision making.
QuerioCity: Accessing the Information of a City
Lopez, Vanessa (IBM Smarter Cities) | Kotoulas, Spyros (IBM Smarter Cities) | Sbodio, Marco Luca (IBM Smarter Cities) | Stephenson, Martin (IBM Smarter Cities) | Lloyd, Raymond (IBM Smarter Cities) | Gkoulalas-Divanis, Aris (IBM Smarter Cities) | Aonghusa, Pol Mac (IBM Smarter Cities)
QuerioCity aims at creating an ecosystem for managing and accessing the information of a city, with a particular focus on transforming, integrating and querying heterogenous semistructured data in an open environment. This raises unique challenges in terms of: - Fitness-for-use. The users of the system are not data integration experts and not qualified to use industry data integration tools. Furthermore, they are not able to query data using structured query languages. The domain of the information is very broad and open.