PhysChem + ML | Assistant Prof. at McMasterU
| 🇲🇽 emigrant living in 🇨🇦 | Amateur cyclist on weekends | views my own
https://chemai-lab.com/
the inaugural post :)
The three last papers to get a flavor of what we do, Chem-ChemBio Dept at #McMasterU
NFlows for OFDFT:
iopscience.iop.org/article/10.1...
GFlowNets for QComp: arxiv.org/abs/2410.16041
Multi-modal for molecule elucidation: chemrxiv.org/engage/chemr...
“Spectral Analysis of Molecular Kernels: When Richer Features Do Not Guarantee Better Generalization”
👉 arxiv.org/abs/2510.14217
#compchem
@mcmasteruniversity.bsky.social @bimr-mcmaster.bsky.social
We propose Meta-Learning Fourier Neural Operators to approximate inverse Hessians for variational data assimilation.
We adapt GFlowNets for measurement optimization in quantum computing
Generative, diverse, & hardware-aware groupings → fewer shots, flexible trade-offs.
📄 arxiv.org/abs/2509.15486
@ishume.bsky.social
#compchem #chemsky
Reposted by Rodrigo Vargas
Discrete Flow-Based Generative Models for Measurement Optimization in Quantum Computing
https://arxiv.org/abs/2509.15486
My student, @ishume.bsky.social , has been selected as one of the 2025 @sandboxaq.bsky.social Scholarship Recipients!
We can’t wait to show you what GenAI can do for quantum computing, stay tuned!!
www.sandboxaq.com/company/scho...
@mcmasteruniversity.bsky.social
Reposted by Rodrigo Vargas
Reposted by Rodrigo Vargas
"Biogeosciences Leaders of Tomorrow"
📅 Deadline: Feb 7, 2025
Nominate early-career & underrepresented biogeoscientists for this special issue spotlighting emerging leaders in the field.
🔗: agupubs.onlinelibrary.wiley.com/hub/journal/...
BayesOpt enabled the optimization of a 41-parameter CG model without traditional heuristics or task decomposition.
arxiv.org/abs/2506.22533
#compchem #AI4Science #machinelearning
Reposted by Rodrigo Vargas
Reposted by Benjamin I. Cook
We show how climate limits the CO₂ fertilization effect on forest productivity. Warming may ease this in boreal zones, but tropical forests face a tougher tradeoff.
Read here: iopscience.iop.org/article/10.1...
#ClimateScience #Forests #CarbonCycle
Weak forest carbon credit protocols undermine trust in carbon markets. In a new study, leading scientists recommend ways to strengthen standards to ensure lasting climate impacts.
forestcarbonprotocols.org
convened a group of forest carbon experts and we reviewed carbon offset protocols for improved forest management projects in North America.
The paper is out today in Earth's Future.
agupubs.onlinelibrary.wiley.com/doi/10.1029/...
Reposted by Rodrigo Vargas
Weak forest carbon credit protocols undermine trust in carbon markets. In a new study, leading scientists recommend ways to strengthen standards to ensure lasting climate impacts.
forestcarbonprotocols.org
From a NEURIPS poster discussion to being invited to his PhD exam!!
Reposted by Rodrigo Vargas
Pero tmb ando bn emocionado!!! :)
A novel spectral unmixing method for high-accuracy land cover quantification.
Read the full paper (free for 50 days!):
authors.elsevier.com/a/1kZmn_o69J...
📜: arxiv.org/abs/2411.17011
🖥️: github.com/ChemAI-Lab/m...
#compchem
Reposted by Rodrigo Vargas
We combine Gaussian processes + hidden Markov models to efficiently detect stellar flares in one modelling step. 🧪