Unlocking Molecular Motion with AI
![An explainable deep learning framework identifies reaction coordinates by mapping candidate collective variables to a neural network - consisting of [latex]N_{\mathrm{layer}}[/latex] layers and [latex]\mathbf{N}_{\mathrm{node}}[/latex] nodes - trained to approximate the sigmoidal function [latex]p_{\mathrm{B}}(q) = [1 + \tanh(q)]/2[/latex], thereby linking the reaction coordinate [latex]q[/latex] to the committor [latex]p_{\mathrm{B}}[/latex] and enabling analysis of free-energy landscapes.](https://arxiv.org/html/2603.25237v1/x1.png)
A new deep learning framework leverages explainable AI to reveal the key factors driving changes in complex molecular systems.
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Katy Perry proves her romance with Justin Trudeau is going strong as she shares snap from intimate date night
Katy Perry, 41, posted pictures on Instagram this Friday showing off some recent outings, including a cozy date with Canada’s former prime minister, Justin Trudeau, 54.
John Cena shuts down viral TikTok star who sings to him in VERY awkward moment
Oh my gosh, you will NOT believe this! I was scrolling through social media and saw a video of him – my absolute favorite! He’s 48, can you believe it, still looking incredible? Apparently, he was just chilling at a cafe when this guy, Daniels, walked right up to him and started talking! And get this – he’s working on a new Netflix thing with Jennifer Garner! I’m already counting down the days! It’s just… everything about him is perfect, and seeing that little snippet of his life made my whole day.
Sting’s wife Trudie Styler, 72, displays her ageless looks as she attends Bari International Film and TV Festival in Italy
The 72-year-old actress, married to the musician for 34 years, stunned in a short black velvet dress, confidently posing for photos on the red carpet before the event.
The Greatest Opening Line In Cyberpunk Sci-Fi TV History Will Soon Be Dethroned
You’ll quickly discover that appearances can be deceiving. And you’ll also find out I’m exceptionally good at my job.
10 Cringy 2000s Anime That Were Only Good Because You Were a Kid
Taking creative risks often leads to great rewards, and this was especially true in the 2000s, which saw the emergence of now-classic anime series like Paranoia Agent, Baccano!, Gurren Lagann, Bleach, and Monster. While the decade produced many beloved and enduring anime, some shows haven’t aged well and can be difficult to revisit as an adult.
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‘Terribly sad’ – Robert Peston splits with love he found after wife died
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Whales Accumulate 62,000 BTC As Fear Hits the Floor-What Happens Next?
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