@MolSS_Group
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Reading group focusing on probabilistic machine learning and molecular applications. Led by @TonyRKOuYang, @JiajunHe614, and @WillLin1028
Joined April 2025
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We’re thrilled to announce the launch of the MolSS Reading Group! 🚀
🔬 MolSS = Machine Learning for Molecular Simulations and Sampling
🔥 First session: June 3rd, 3 PM (UK time) by @jmhernandez233
🗓️ Regular sessions: Every other Tuesday at 4 PM (UK time), 45–60 minutes
Why reversible SDE solvers—and how do we build them?
In the coming Tuesday, Sep 8th 4pm-5pm UK time, we will have @zwblasingame to talk about his ICML oral paper "Rex: Reversible Exponential (Stochastic) Runge–Kutta Solvers" (arxiv.org/pdf/2502.08834) 🚀
Zoom link 👇
Can a flow map expand its dimensionality while denoising in a few steps?
In the coming Tuesday, Aug 25th, 4pm-5pm UK time, we will have @_sophia_tang_ from UPenn to talk about "Expanding Flow Maps" (arxiv.org/pdf/2607.21585) 🔥
Join us via Zoom 👇
How to make flow map stochastic?
In the coming Tuesday, July 28th, 4pm-5pm UK time, we will have @sgmccallum and @zwblasingame to talk about "Strong Stochastic Flow Maps" (arxiv.org/abs/2606.01086). Do join us!
zoom link 👇
MolSS Reading Group retweeted
How can generative models advance equilibrium sampling and free energy estimation?
On the coming Tuesday, June 23rd 4pm-5pm UK time, we will have Max Schebek to talk about "Generative models for equilibrium sampling and free energy estimation in condensed matter" 🔥
Links 👇
How can generative models advance equilibrium sampling and free energy estimation?
On the coming Tuesday, June 23rd 4pm-5pm UK time, we will have Max Schebek to talk about "Generative models for equilibrium sampling and free energy estimation in condensed matter" 🔥
Links 👇
Zoom: us05web.zoom.us/j/7780256206…
Paper
[1] nature.com/articles/s41467-0…
[2] arxiv.org/pdf/2512.23930
Join our slack for more information!! join.slack.com/t/molss/share…
How to incorporate Metropolis-Hastings into score-based Diffusion models to improve generation?
On the coming Tuesday, June 16th 4pm-5pm UK time, we will have @khflam to talk about "Metropolis-Adjusted Diffusion Models" (arxiv.org/pdf/2605.09654) 🚀
Join us with Zoom!! Links 👇
How to accelerate Molecular Dynamics with few-steps generative models?
On the coming Tuesday, May 12th 4pm-5pm UK time, we will have @michaelplainer to talk about "Learning Hamiltonian Flow Maps". 🚀
Join us via zoom: us05web.zoom.us/j/7780256206…
Paper link 👇
Paper: arxiv.org/abs/2601.22123
How to use Diffusion models for rare event sampling and free energy calculation?
In the coming Tuesday (April 7th), from 4pm-5pm UK time, we will have @YuuuXie from Microsoft Research to talk about “Enhanced Diffusion Sampling” (arxiv.org/pdf/2602.16634) 🚀
Zoom ➕ more info 👇
Interested in scaling neural samplers?
On the coming Tuesday, March 17th 4pm-5pm UK time, we will have Denis Blessing to talk about his recent work “Bridge Matching Sampler: Scalable Sampling via Generalized Fixed-Point Diffusion Matching” (arxiv.org/abs/2603.00530)
More info👇
On the coming Tuesday (Feb 24th), 4pm-5pm UK time, we will have Miruna Cretu @MirunaCretu2 to talk about “Generative modelling for synthesizable small molecule design” 🔥
Links for papers and zoom👇
Papers:
[1] arxiv.org/abs/2405.01155
[2] arxiv.org/abs/2507.11818
Zoom: us05web.zoom.us/j/7780256206…
Do join our slack channel to keep updated: join.slack.com/t/molss/share…
Join our online reading group today, 4pm, to know more about how to enhance diffusion-sampler with collective variables 🚀
How to incorporate collective variables to enhance diffusion-based sampler?
On the coming Tuesday (Feb 10th), 4pm-5pm UK time, we will have Juno Nam @junonam_ to talk about “Enhancing Diffusion-Based Sampling with Molecular Collective Variables” 🔥
links👇