iiinova — where your digital self keeps evolving

The Matter Lab @thematterlab.bsky.social · 02/10/2026

Kudos to the authors: Arjun Sohal, @allanzhao.bsky.social, Miroslav Bogdanovic and @aspuru.bsky.social 🎉

The Matter Lab @thematterlab.bsky.social · 02/10/2026

🚀 We also find that DIA can reach successful states more efficiently and move further from the pretrained behavior distribution, highlighting the importance of assigning credit to the intermediate decisions that construct an action.

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The Matter Lab @thematterlab.bsky.social · 02/10/2026

🔥 Across benchmarks, DIA improves over state-of-the-art diffusion-policy fine-tuning methods for both state- and image-based policies.

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The Matter Lab @thematterlab.bsky.social · 02/10/2026

These inner-loop learning signals are combined with the standard environment-level PPO advantage, giving the policy more informative feedback during optimization.

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The Matter Lab @thematterlab.bsky.social · 02/10/2026

The method learns a value function over partially denoised actions and uses it to construct intermediate advantages for individual denoising decisions.

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The Matter Lab @thematterlab.bsky.social · 02/10/2026

🔑 Key insights: DIA introduces credit assignment within the denoising process itself. We showed that better credit assignment inside the generative process can lead to better policy optimization.

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The Matter Lab @thematterlab.bsky.social · 02/10/2026

🤔 Diffusion policies generate actions through multiple denoising steps, but standard RL fine-tuning methods often assign the same environment-level credit across the full denoising trajectory.

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The Matter Lab @thematterlab.bsky.social · 02/10/2026

🚀 New work from the group- DIA: Denoising Intermediate Advantage for Diffusion Policy Optimization Paper: arxiv.org/pdf/2609.12245 Blog: github.com/dia-rl/dia Code: dia-rl.github.io

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Acceleration Consortium @accelerationc.bsky.social · 01/10/2026

30+ staff scientists helped lead AC’s core self-driving labs (SDLs) over the last year. Together, these labs pushed accelerated discovery forward and supported R&D with partners. Explore their successes in our latest impact report: shorturl.at/hVBsI

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The Matter Lab @thematterlab.bsky.social · 29/09/2026

Using El Agente Quntur, Gráfico and Estructural, the team will select several questions and demonstrate how El Agente approaches them, based on scientific relevance and what can reasonably be addressed during the webinar. Looking forward to see you there!

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The Matter Lab @thematterlab.bsky.social · 29/09/2026

- Screen metal-organic frameworks containing an X node and a Y ligand for methane or other gas adsorption - Identify plausible transition states for the reaction of A and B leading to product C

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The Matter Lab @thematterlab.bsky.social · 29/09/2026

Registrants are invited to submit questions through the form above. Examples: - Investigate the IR, UV, and Raman spectra of a series of organic molecules - Evaluate small-molecule binding to transition-metal complexes relevant to investigating a given catalytic activity

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The Matter Lab @thematterlab.bsky.social · 29/09/2026

Are you interested in learning about how agentic AI systems like El Agente operate? Curious on how to incorporate them into your research workflow? Join our live webinar as we show El Agente in action 🤖 🗓️ 24 Nov 2026, 10 AM - 11AM EST ✅ Registration & qns: register.gotowebinar.com/register/828...

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Acceleration Consortium @accelerationc.bsky.social · 28/09/2026

Responsible solutions help define the AC's research excellence. Learn how the AC puts responsible discovery into action in our latest impact report: shorturl.at/hVBsI

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UofT Department of Chemistry @chemuoft.bsky.social · 28/09/2026

Special Chemistry Seminar: Professor Zhanyun Wang, USDwill discuss “Rethinking Chemical Innovation: From Substances of Very High Concern to Safe and Sustainable by Design,” September 30, 2026 10:00 am Info at www.chemistry.utoronto.ca/events

Announcement of a Chemistry department seminar, with a photo of a poster and a QR code leading to Chemistry Events at UofT.

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Acceleration Consortium @accelerationc.bsky.social · 24/09/2026

Today #ArtemMishchenko gave an #ACseminar on why experimental data is the next frontier for AI-driven materials discovery. He’s #hiring a thin-film research scientist to join the #GoogleDeepMind Materials Discovery Lab in London!🔬To apply DM Artem your CV + why you’re a fit for the role on LinkedIn.

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Acceleration Consortium @accelerationc.bsky.social · 24/09/2026

Accelerated discovery (AI for science) is foundational to the Acceleration Consortium. In 2025-26, the AC: 🔬 Secured $34M+ in leveraged research funds 📚 Published 267 papers in top journals 🤖 Built 94 self-driving lab tools & platforms Learn more in our impact report: shorturl.at/hVBsI

A background gradient graphic of red, black and purple behind a photo of scientific equipment.

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Acceleration Consortium @accelerationc.bsky.social · 23/09/2026

#ICYMI: Tomorrow, Thursday September 24th from 10:30 AM - 11:30 AM, #ArtemMishchenko of Google Deep Mind will be at #UofT for an #ACseminar. Join Artem as he explores how experimental data is shaping the next frontier of AI for materials science. Register: acceleration.utoronto.ca/events/ac-se...

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Alex Zhavoronkov @elonverse.bsky.social · 23/09/2026

Agentic AI closes the experimental loop - forming hypotheses, designing experiments, running analysis, revising from results. Our Cell perspective (Guo LY, Ting DSJ, Su X, Aliper A, Zhavoronkov A, Ting DSW): upside and risks are inseparable. www.cell.com/cell/abstrac...

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The Matter Lab @thematterlab.bsky.social · 21/09/2026

Apply: forms.zohopublic.com/matterlab/fo... ⚠️ NOTE: In the application form, under "Who referred you for this position?", please enter the following text to help us filter: Electronic Structure - El Agente. ⚠️ Please do not DM us; apply only through the appropriate website.

forms.zohopublic.com

Postdoctoral Fellow Application

We are currently seeking highly motivated postdoctoral fellows for a number of projects.

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The Matter Lab @thematterlab.bsky.social · 21/09/2026

The postdoctoral fellow will contribute to several projects, including El Agente, with potential research directions in: ⚛️ Advanced electronic-structure & quantum-chemistry methods 🔬 Reproducible scientific software & method benchmarking 📈 Quantum algorithms for molecular & materials simulations

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The Matter Lab @thematterlab.bsky.social · 21/09/2026

The successful candidate will work under the supervision of Prof. Varinia Bernales ( @variniabernales.bsky.social ) and collaborate closely with Prof. Alán Aspuru-Guzik ( @aspuru.bsky.social ), along with other members of the Matter Lab.

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The Matter Lab @thematterlab.bsky.social · 21/09/2026

🧑‍🔬⚛️We are hiring a postdoctoral fellow at the Matter Lab, University of Toronto. We seek expertise in electronic-structure theory and computational chemistry, preferably including multireference methods and quantum computing for chemical and materials applications. Start date: as soon as possible 🕐

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The Matter Lab @thematterlab.bsky.social · 15/09/2026

Kudos to the authors: Tsz Wai Ko, @jiarubai.bsky.social, Thomas Swanick, Yeonghun Kang, Changhyeok Choi, Angelina Qihong Jiang, Aiwei Yin, @variniabernales.bsky.social, and @aspuru.bsky.social.

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The Matter Lab @thematterlab.bsky.social · 15/09/2026

These results establish typed execution graphs and code-based workflow construction as complementary mechanisms for agentic scientific computing, combining auditable execution with flexibility for customized atomistic simulations.

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The Matter Lab @thematterlab.bsky.social · 15/09/2026

These agents construct customized workflows for tasks requiring greater procedural flexibility while invoking existing Potente functions for supported calculations. Herein we also demonstrate Potente across a variety of workflows, and perform benchmarks of reproducibility and LLM token cost.

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The Matter Lab @thematterlab.bsky.social · 15/09/2026

Potente’s typed execution graphs provide structured and provenance-aware execution for standardized workflows, with large language models (LLMs) restricted to planning and routing while deterministic Python components perform scientific computation and validation.

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The Matter Lab @thematterlab.bsky.social · 15/09/2026

MLIPs can reach near-ab initio accuracy with atomistic simulations across large chemical spaces with relatively low computational cost. However, challenges remain in translating high-level scientific intent into adaptive simulation campaigns without compromising workflow rigour.

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The Matter Lab @thematterlab.bsky.social · 15/09/2026

We’re proud to introduce another member of the El Agente family - El Agente Potente 🎊 📜 arxiv.org/abs/2609.14840 Potente is an agentic system that combines typed execution graphs with a complementary coding mode for machine-learning interatomic potentials (MLIP)-driven atomistic simulations.

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UofT Department of Chemistry @chemuoft.bsky.social · 14/09/2026

Join our faculty! The Department of Chemistry at U of T invites applications for a full-time tenure stream position in Theoretical Chemistry. To learn more or apply, visit: jobs.utoronto.ca/job/Toronto-...

Poster for a job ad for a Theoretical Chemistry Professor.

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The Matter Lab @thematterlab.bsky.social · 10/09/2026

- Abhijoy Mandal, Mohammad Nazeri, Elia Savino, Yanlin Fang, Sujoy Das, Sergio Pablo-García, Yeonghun Kang, Juan Bernardo Pérez Sánchez, Simone Pilon, Martin Fitzner, Timothy Noel, Frank Gu, @variniabernales.bsky.social, @aspuru.bsky.social.

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The Matter Lab @thematterlab.bsky.social · 10/09/2026

🔥 This has been an incredibly fruitful collaboration with the Acceleration Consortium, The Mixture Lab lead by Prof. Frank Gu, and the research group of @tnoel82.bsky.social. A huge thank you to all our co-authors and collaborators: Marcel Müller, Jiaru Bai, @willigo09.bsky.social -

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The Matter Lab @thematterlab.bsky.social · 10/09/2026

For us, an exciting part of this project was seeing these capabilities tested against the practical demands of real laboratories, where each experiment takes time, materials, and care.

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The Matter Lab @thematterlab.bsky.social · 10/09/2026

🦾 Óptima integrates autonomous decision-making directly into Bayesian optimization campaigns. Researchers can change the target, adjust the search space, or inspect why Óptima changed course while preserving the knowledge gained throughout the campaign.

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The Matter Lab @thematterlab.bsky.social · 10/09/2026

These moments usually require human intervention, motivating us to build an agent that can autonomously interpret what is happening and adapt the campaign.

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The Matter Lab @thematterlab.bsky.social · 10/09/2026

🔬 Optimization processes rarely unfold exactly as planned. Instruments can give unclear readings, materials can run out, measurements can become unreliable, and new results can reveal that the original target may not be reachable within the current experimental constraints.

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The Matter Lab @thematterlab.bsky.social · 10/09/2026

🚀 A new member joins the El Agente family at The Matter Lab: La Agente Óptima! ⚡ Óptima takes us further into developing AI agents for experimental planning and adaptive decision-making during an ongoing optimization campaign. 📜 arxiv.org/pdf/2609.04564 📽️ www.youtube.com/watch?v=jwbz...

youtube.com

La Agente Óptima controls RoboChem-Flex in a Bayesian optimization campaign.

YouTube video by Marcel Müller

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Acceleration Consortium @accelerationc.bsky.social · 10/09/2026

What does it take to build a medicinal chemistry self-driving lab for drug discovery? 🧪🤖 Join the AC + Tecan on September 22nd from 10:00 AM - 3:00 PM for a free workshop at @utoronto.ca on the tech, tools & infrastructure powering our SDL. Register: acceleration.utoronto.ca/events/build...

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Acceleration Consortium @accelerationc.bsky.social · 27/08/2026

#JOB OPPORTUNITY: We’re hiring a #DataEngineer to help build data infrastructure to support scientific research projects at the University of Toronto's Acceleration Consortium. Apply: jobs.utoronto.ca/job/Toronto-...

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Jan H. Jensen @janhjensen.bsky.social · 30/08/2026

New highlight: Rapid Generation of Transition-State Conformer Ensembles via Constrained Distance Geometry www.compchemhighlights.org/2026/08/rapi... #compchem

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Acceleration Consortium @accelerationc.bsky.social · 25/08/2026

We're still buzzing from the success of AI4X-Accelerate conference co hosted by the Acceleration Consortium at University of Toronto and the Institute for Functional Intelligent Materials (I-FIM) at the National University of Singapore. 🎊 Let’s take a look back: substack.com/home/post/p-...

substack.com

AI4X–Accelerate 2026: Reflecting on our biggest conference yet + what’s next

Based at the University of Toronto, the Acceleration Consortium is a global community of academia, government, and industry that is accelerating the discovery of new materials and molecules needed for...

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UofT Department of Chemistry @chemuoft.bsky.social · 18/08/2026

Chemistry Stories: D.J. LeRoy Prize Lecture delivered by Cher-Tian Ser: www.chemistry.utoronto.ca/news/dj-lero...

Announcement of a Chemistry department news story, with a photo of article subject and a QR code leading to Chemistry Stories at UofT.

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Acceleration Consortium @accelerationc.bsky.social · 17/08/2026

📅 Join us August 27 from 3:30 - 4:30 PM for an AC Seminar ft. Jongwoo Lim of Seoul National University. Learn about new AI research for batteries, using data-driven approaches to discover better electrolytes and extend battery lifetime🔋 Register to attend: airtable.com/appYBjHgttvB...

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UofT Department of Chemistry @chemuoft.bsky.social · 10/08/2026

Love teaching chemistry? We’re hiring! Assistant Professor (Teaching Stream, CLTA) in Analytical Chemistry @UofT 🧪 Help shape student learning and curriculum: 🔗 jobs.utoronto.ca/job-invite/4...

jobs.utoronto.ca

Assistant Professor, Teaching Stream - Contractually Limited Term Appointment - Analytical Chemistry

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Digital Discovery @digital-discovery.rsc.org · 29/07/2026

Our new Digital Discovery themed collection on ‘Quantum Computing for Chemistry, Material Science and Biotechnology’ has now been published online! Read this collection at the link below: blogs.rsc.org/dd/ddquant25/

A banner with the collection name and Guest Editor details.

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UofT Department of Chemistry @chemuoft.bsky.social · 30/07/2026

FOE Public Seminar: PhD Student Ella Rajaonson will speak on, “Predicting the Properties of Molecular Mixtures Using Machine Learning,” Tuesday, August 04, 2026 10:00 am. Learn More at: www.chemistry.utoronto.ca/events

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Acceleration Consortium @accelerationc.bsky.social · 27/07/2026

💰Funding alert: Help build a more diverse, equitable, and inclusive STEM community at #UofT and beyond through the AC's Equity, diversity and inclusion initiate grants. Learn more and apply by September 18, 2026: acceleration.utoronto.ca/programs/ac-...

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