Boosting Heterogeneous Catalyst Discovery by Structurally Constrained Deep Learning Models. - Alexey N. Korovin; Innokentiy S. Humonen; Artem I. Samtsevich; Roman A. Eremin; Artem I. Vasilyev; Vladimir D. Lazarev; Semen A. Budennyy (CoRR, 2022)

On the Robustness of Machine Learning Models in Predicting Thermodynamic Properties: a Case of Searching for New Quasicrystal Approximants. - Fedor S. Avilov; Roman A. Eremin; Semen A. Budennyy; Innokentiy S. Humonen (CoRR, 2024)

Unleashing the power of novel conditional generative approaches for new materials discovery. - Lev Novitskiy; Vladimir D. Lazarev; Mikhail Tiutiulnikov; Nikita Vakhrameev; Roman A. Eremin; Innokentiy S. Humonen; Andrey Kuznetsov; Denis Dimitrov; Semen A. Budennyy (CoRR, 2024)