6 citations · 16 across the 29 of their papers we have counts for
54 papers · 1 filter
Bayesian Symbolic Regression with Entropic Reinforcement Learning
Oussama Boussif, Mohammed Mahfoud, Younesse Kaddar +6
Symbolic regression is the problem of finding an algebraic expression describing a stochastic dependence of a target variable on a set of inputs. Unlike forms of regression that fi…
Autoregressive Boltzmann Generators
Danyal Rehman, Charlie B. Tan, Yoshua Bengio +2
Efficient sampling of molecular systems at thermodynamic equilibrium is a hallmark challenge in statistical physics. This challenge has driven the development of Boltzmann Generato…
Synthesizable Molecular Generation via Soft-constrained GFlowNets with Rich Chemical Priors
Hyeonah Kim, Minsu Kim, Celine Roget +5
The application of generative models for experimental drug discovery campaigns is severely limited by the difficulty of designing molecules de novo that can be synthesized in pract…
Adaptive Order Policies for Masked Diffusion
Jama Hussein Mohamud, Mohsin Hasan, Mirco Ravanelli +1
Masked diffusion models have seen great success in capturing data distributions over discrete sequences in domains such as text and proteins. These models generate data by iterativ…
Interpretable epistemic uncertainty decomposition in sequential generative models via polynomial chaos surrogates
Ramón Nartallo-Kaluarachchi, Shashanka Ubaru, MaÅgorzata J ZimoÅ +4
Sequential generative models conditioned on uncertain rewards are central to AI-driven scientific discovery, yet the epistemic uncertainty they inherit from imperfect reward estima…
General Multimodal Protein Design Enables DNA-Encoding of Chemistry
Jarrid Rector-Brooks, Théophile Lambert, Marta Skreta +15
Evolution is an extraordinary engine for enzymatic diversity, yet the chemistry it has explored remains a narrow slice of what DNA can encode. Deep generative models can design new…