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4 papers in the last four weeks, up 33% on the four weeks before. 0.0% of all new papers.

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  1. Atoms to Processes: The Role of Artificial Intelligence and Machine Learning in Chemical Engineering

    Oct 1, 2026Michael Baldea, Linda J. Broadbelt, Marianthi G. Ierapetritou +17Chemical Process SystemsFirst-Principles Calculation

    McKetta Department of Chemical Engineering and Oden Institute for Chemical Engineering and Sciences, The University of Texas at Austin, Austin, TX 78731, USA · Department of Chemical and Biological Engineering, Northwestern University, Evanston, IL 60208, USA · Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, DE 19716, USA +13

  2. Fold'EM: Direct atomic structure inference from Cryo-EM particles

    Oct 1, 2026Advaith Maddipatla, Märt-Erik Mäeots, Marco Pegoraro +5Cryo-Electron MicroscopyConformational Ensembles

    Institute of Science and Technology Austria · University of Zurich · Frankfurt Institute for Advanced Studies +2

  3. Iterative Atom Refinement: A Monotonicity Principle for Dictionary Learning

    Sep 20, 2026Alexander Christie, Miguel Moscoso, Alexei Novikov +2Unsupervised Dictionary LearningIterative Refinement

    Department of Mathematics, Stanford University, Stanford, CA 94305, USA · Department of Mathematics, Universidad Carlos III de Madrid, Leganés, Madrid 28911, Spain · Department of Mathematics, Pennsylvania State University, University Park, PA 16802, USA +1

  4. Mined from Scientific Literature: Process Schemas for Atomic Layer Deposition and Etching in Materials Science

    Sep 14, 2026Sameer Sadruddin, Eleni Poupaki, Alex Watkins +5Materials ScienceLithography

    TIB Leibniz Information Centre for Science and Technology, Hannover 30167, Germany · Department of Applied Physics and Science Education, Eindhoven University of Technology, Eindhoven 5600 MB, The Netherlands · Department of Chemistry, University of Warwick, Coventry CV4 7AL, United Kingdom +1

  5. Atom Learning Model (ALM): how a real classroom got tokenised

    Aug 21, 2026Philipp BogdanAtomsComputerized Adaptive Testing

    Department of Computing Imperial College London

  6. From Atomic Evidence to Logical Composition: Structured Compositional Reasoning over Compound Answer Options

    Aug 13, 2026Obed Junias, Maria Leonor PachecoLogicAnswer

    University of Colorado Boulder

  7. A Single Atom in Front of a Mirror is a Universal Reservoir Computer

    Aug 11, 2026Peter J. Ehlers, Phi Hung Nguyen, Kanu Sinha +4Reservoir ComputingReservoir

    Wyant College of Optical Sciences, University of Arizona, Tucson, AZ, USA · Department of Physics, University of Arizona, Tucson, AZ, USA · School of Electrical Engineering and Telecommunications, University of New South Wales, Sydney, Australia

  8. Hypercubes, Hyperplanes, and Constraint-Induced Complexity Collapse in Atomic Concept Learning

    Aug 3, 2026Irene TsaparaHypothesis ClassAtoms

    National University, San Diego, United States

  9. MoCRA: Mixture of Compositional Rank-1 Atoms for 4K All-in-One Video Restoration

    Aug 3, 2026Yongcong Wang, Pu Wang, Hingchin Chen +8Video RestorationVideo Quality

    1Central South University · 2Shandong University · 3Shenzhen Loop Area Institute +8

  10. Using large language models to probe the limits of atom-centered structural descriptors

    Jul 29, 2026Michelangelo Domina, Michele CeriottiAtomsMolecular Property Prediction

    Laboratory of Computational Science and Modeling, Institut des Matériaux, Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland

  11. AdaKP: Online Adaptive Knowledge-Point Selection for Reasoning-Oriented Reinforcement Learning

    Jul 23, 2026Zibin Meng, Zhenyu Zhao, Chunqiang RunReinforcement Learning With Verifiable RewardOffline Reinforcement Learning

    The Hong Kong University of Science and Technology · University of the Chinese Academy of Sciences

  12. ReqGenX: An Empirical Study of Atomic Decomposition, Artifact Regeneration, and Reconstruction for Legacy SRS Documents

    Jul 18, 2026Ragib Shahariar Ayon, Rayed Fahmi, Sumon Biswas +1Empirical StudyElicitation

    Texas State University, San Marcos, TX, USA · Case Western Reserve University, Cleveland, OH, USA

  13. Dual-Level Atomic and Coordination Geometry Learning for Crystal Property Prediction Using Graph Neural Networks

    Jul 17, 2026Sanjay ChakrabortyGraph Neural NetworksCrystal

    Department of Computer and Information Science (IDA), REAL, AIICS, Linköping University, Linköping, Sweden

  14. Atomic Units of X: The Compression Layer of Intelligence

    Jul 14, 2026Sachin Dev Duggal, Pradyumna Swarnalatha Ramanna, Alexandros VassiliadesIntelligenceCognitive Science

    SeKondBrain AI Labs, London, United Kingdom.

  15. Heat-Kernel Entropy Profiles and Geometric Effective Sample Size for Weighted Measures on Manifolds

    Jul 7, 2026Kisung YouWasserstein DistanceImportance Weighting

    Baruch College

  16. AquaGen: Scaling generative models to molecular dynamics precision on thousands of atoms

    Jul 3, 2026Emmanuel Bengio, Sanjeev Raja, Yui Tik Pang +5Molecular DynamicsTransferable Implicit Solvent Machine Learning Potential

    Valence Labs · Recursion · UC Berkeley

  17. ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification Across the Periodic Table

    Jun 29, 2026Jacob W. Toney, Samir Darouich, Yiran Wang +3Molecular Property PredictionAtoms

    Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA · Center for Computational Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA · Institute for Theoretical Chemistry, University of Stuttgart, Germany +2

  18. Self-Supervised Calibration of Scientific Instruments Using Physical Consistency Constraints

    Jun 28, 2026M. Rejmund, A. LemassonAtoms

    GANIL, CEA/DRF - CNRS/IN2P3, Bd Henri Becquerel, BP 55027, F-14076, Caen Cedex 5, France

  19. AtomMem: Building Simple and Effective Memory System for LLM Agents via Atomic Facts

    Jun 18, 2026Yanyu Yao, Shangze Li, Zhi Zheng +4Peak MemoryLarge Language Model Agents

    State Key Laboratory of Cognitive Intelligence, University of Science and Technology of China, Hefei, China · Anhui University, Hefei, China

  20. APT: Atomic Physical Transitions for Causal Video-Language Understanding

    Jun 17, 2026Shang Wu, Haoran Lu, Songling Liu +6Sharp TransitionsTransitions

    Northwestern University · Dolby Laboratories

  21. Product units in gated recurrent units improve nuclear-mass prediction

    Jun 5, 2026Ziyuan Li, Paulo S. A. Freitas, John W. Clark +1Nuclear DataRecurrent Model

    Department of Mathematics, Informatics and Technology, University of Applied Sciences Koblenz, Joseph-Rovan-Allee 2, 53424 Remagen, Germany · Technical University of Munich, Munich, Germany · Department of Mathematics, University of Madeira, Campus Universitário da Penteada, Funchal, 9020-105, Portugal +1

  22. Combinatorial Synthesis: Scaling Code RLVR via Atomic Decomposition and Recombination

    May 29, 2026Jiasheng Zheng, Boxi Cao, Boxi Yu +6Reinforcement Learning With Verifiable RewardSynthetic Task

    Chinese Information Processing Laboratory, Institute of Software, Chinese Academy of Sciences · Lero the Research Ireland Centre for Software, University of Limerick · The Chinese University of Hong Kong, Shenzhen +1

  23. Learning Compositional Latent Structure with Vector Networks

    May 27, 2026Niclas Pokel, Benjamin F. GreweNetwork ScienceMnist

    Institute of Neuroinformatics, UZH / ETH Zurich ETH AI Center Zurich, Switzerland

  24. ATOM: Instantiating Budget-Controllable Multi-Agent Collaboration via Nucleus-Electron Hierarchy

    May 25, 2026Xinkui Zhao, Sai Liu, Yifan Zhang +6CollaborationAtoms

    Zhejiang University · Ningbo Global Innovation Center, Zhejiang University · Zhejiang Key Laboratory of Digital-Intelligence Service Technology +1

  25. Enhancing Cryo-EM Density Map Segmentation in Phenix for Improved Atomic Model Building

    May 6, 2026Chenwei ZhangCryo-Electron MicroscopyMulti Organ Computed Tomography Segmentation

    Department of Computer Science The University of British Columbia Vancouver, Canada

  26. Agentic Fusion of Large Atomic and Language Models to Accelerate Superconductor Discovery

    Apr 26, 2026Mingze Li, Yu Rong, Songyou Li +16Data-Driven Materials DiscoveryAtoms

    Gaoling School of Artificial Intelligence, Renmin University of China, Beijing, China. · DAMO Academy, Alibaba Group, Hangzhou, China. · Hupan Lab, Hangzhou, China. +2

  27. FastCSP: Accelerated Molecular Crystal Structure Prediction with Universal Model for Atoms

    Aug 4, 2025Vahe Gharakhanyan, Yi Yang, Luis Barroso-Luque +24Crystal Structure PredictionConformational Ensembles

    Fundamental AI Research at Meta · Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, PA, USA · Department of Chemistry, University of California Riverside, Riverside, CA, USA +3