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Perfekt zum Wochenende. Gechilltes Neues von Melbourne's Finest, Courtney Barnett ❤️
https://youtu.be/rPgaP3SJZKU

Enabling ab initio geometry optimization of strongly correlated systems with transferable deep quantum Monte Carlo
P. Bern\'at Szab\'o, Zeno Sch\"atzle, Frank No\'e
https://arxiv.org/abs/2603.25381 https://arxiv.org/pdf/2603.25381 https://arxiv.org/html/2603.25381
arXiv:2603.25381v1 Announce Type: new
Abstract: A faithful description of chemical processes requires exploring extended regions of the molecular potential energy surface (PES), which remains challenging for strongly correlated systems. Transferable deep-learning variational Monte Carlo (VMC) offers a promising route by efficiently solving the electronic Schr\"odinger equation jointly across molecular geometries at consistently high accuracy, yet its stochastic nature renders direct exploration of molecular configuration space nontrivial. Here, we present a framework for highly accurate ab initio exploration of PESs that combines transferable deep-learning VMC with a cost-effective estimation of energies, forces, and Hessians. By continuously sampling nuclear configurations during VMC optimization of electronic wave functions, we obtain transferable descriptions that achieve zero-shot chemical accuracy within chemically relevant distributions of molecular geometries. Throughout the subsequent characterization of molecular configuration space, the PES is evaluated only sparsely, with local approximations constructed by estimating VMC energies and forces at sampled geometries and aggregating the resulting noisy data using Gaussian process regression. Our method enables accurate and efficient exploration of complex PES landscapes, including structure relaxation, transition-state searches, and minimum-energy pathways, for both ground and excited states. This opens the door to studying bond breaking, formation, and large structural rearrangements in systems with pronounced multi-reference character.
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Perfekt zum Wochenende. Gechilltes Neues von Melbourne's Finest, Courtney Barnett ❤️
https://youtu.be/rPgaP3SJZKU

As Russia's war against Ukraine enters its fifth year,
the economy that sustains it has been transformed in ways that will be difficult
—perhaps impossible
—to reverse without another crisis.
Westerners keep waiting for the Russian economy to collapse.
It won’t. -- But nor will it recover.
It has entered what mountaineers call the death zone:
the altitude above 8,000 metres at which the human body consumes itself faster than it can be repaired…

Wer sich für progressive europäische Politik interessiert, ist sicher schon mal auf das Webinar Format #EuropeCalling gestoßen.
Diesen Freitag findet es zum Thema #DiDay statt mit @…

Wer wissen möchte, wo der atomgetriebene französische Flugzeugträger Charles de Gaulle und die Begleitflottille rumschwabbelt, kann mal bei #Strava kucken. Ja zum Zweiten. Link dänisch. https://social.data.coop/@cryptohagen/

Zo wordt je gemanipuleerd als stas.
Nou ja, ze liet zich natuurlijk ook manipuleren …
https://www.trouw.nl/binnenland/hoe-haar-eigen-ambtenaren-verhinderden-dat-staatssecretaris-marie…

Hoe haar eigen ambtenaren verhinderden dat staatssecretaris Mariëlle Paul meeliep in een Hongaarse pridemars
Staatssecretaris Paul besloot vorig jaar op het laatste moment om toch niet mee te lopen in een pridemars in Boedapest. Dat besluit werd mede ingegeven door een NCTV-advies, waar een ambtenaar een cruciale zin uit had geknipt.

Replaced article(s) found for cs.LG. https://arxiv.org/list/cs.LG/new
[4/6]:
- Neural Proposals, Symbolic Guarantees: Neuro-Symbolic Graph Generation with Hard Constraints
Chuqin Geng, Li Zhang, Mark Zhang, Haolin Ye, Ziyu Zhao, Xujie Si
https://arxiv.org/abs/2602.16954 https://mastoxiv.page/@arXiv_csLG_bot/116102434757760085
- Multi-Probe Zero Collision Hash (MPZCH): Mitigating Embedding Collisions and Enhancing Model Fres...
Ziliang Zhao, et al.
https://arxiv.org/abs/2602.17050 https://mastoxiv.page/@arXiv_csLG_bot/116102517335590034
- MASPO: Unifying Gradient Utilization, Probability Mass, and Signal Reliability for Robust and Sam...
Fu, Lin, Fang, Zheng, Hu, Shao, Qin, Pan, Zeng, Cai
https://arxiv.org/abs/2602.17550 https://mastoxiv.page/@arXiv_csLG_bot/116102581561441103
- A Theoretical Framework for Modular Learning of Robust Generative Models
Corinna Cortes, Mehryar Mohri, Yutao Zhong
https://arxiv.org/abs/2602.17554 https://mastoxiv.page/@arXiv_csLG_bot/116102582216715527
- Multi-Round Human-AI Collaboration with User-Specified Requirements
Sima Noorani, Shayan Kiyani, Hamed Hassani, George Pappas
https://arxiv.org/abs/2602.17646 https://mastoxiv.page/@arXiv_csLG_bot/116102592047544971
- NEXUS: A compact neural architecture for high-resolution spatiotemporal air quality forecasting i...
Rampunit Kumar, Aditya Maheshwari
https://arxiv.org/abs/2602.19654 https://mastoxiv.page/@arXiv_csLG_bot/116125610403473755
- Augmenting Lateral Thinking in Language Models with Humor and Riddle Data for the BRAINTEASER Task
Mina Ghashami, Soumya Smruti Mishra
https://arxiv.org/abs/2405.10385 https://mastoxiv.page/@arXiv_csCL_bot/112472190479013167
- Watermarking Language Models with Error Correcting Codes
Patrick Chao, Yan Sun, Edgar Dobriban, Hamed Hassani
https://arxiv.org/abs/2406.10281 https://mastoxiv.page/@arXiv_csCR_bot/112636307340218522
- Learning to Control Unknown Strongly Monotone Games
Siddharth Chandak, Ilai Bistritz, Nicholas Bambos
https://arxiv.org/abs/2407.00575 https://mastoxiv.page/@arXiv_csMA_bot/112715733875586837
- Classification and reconstruction for single-pixel imaging with classical and quantum neural netw...
Sofya Manko, Dmitry Frolovtsev
https://arxiv.org/abs/2407.12506 https://mastoxiv.page/@arXiv_quantph_bot/112806295477530195
- Statistical Inference for Temporal Difference Learning with Linear Function Approximation
Weichen Wu, Gen Li, Yuting Wei, Alessandro Rinaldo
https://arxiv.org/abs/2410.16106 https://mastoxiv.page/@arXiv_statML_bot/113350611306532443
- Big data approach to Kazhdan-Lusztig polynomials
Abel Lacabanne, Daniel Tubbenhauer, Pedro Vaz
https://arxiv.org/abs/2412.01283 https://mastoxiv.page/@arXiv_mathRT_bot/113587812663608119
- MoEMba: A Mamba-based Mixture of Experts for High-Density EMG-based Hand Gesture Recognition
Mehran Shabanpour, Kasra Rad, Sadaf Khademi, Arash Mohammadi
https://arxiv.org/abs/2502.17457 https://mastoxiv.page/@arXiv_eessSP_bot/114069047434302054
- Tightening Optimality gap with confidence through conformal prediction
Miao Li, Michael Klamkin, Russell Bent, Pascal Van Hentenryck
https://arxiv.org/abs/2503.04071 https://mastoxiv.page/@arXiv_statML_bot/114120074927291283
- SEED: Towards More Accurate Semantic Evaluation for Visual Brain Decoding
Juhyeon Park, Peter Yongho Kim, Jiook Cha, Shinjae Yoo, Taesup Moon
https://arxiv.org/abs/2503.06437 https://mastoxiv.page/@arXiv_csCV_bot/114142690988862508
- How much does context affect the accuracy of AI health advice?
Prashant Garg, Thiemo Fetzer
https://arxiv.org/abs/2504.18310 https://mastoxiv.page/@arXiv_econGN_bot/114414380916957986
- Reproducing and Improving CheXNet: Deep Learning for Chest X-ray Disease Classification
Daniel J. Strick, Carlos Garcia, Anthony Huang, Thomas Gardos
https://arxiv.org/abs/2505.06646 https://mastoxiv.page/@arXiv_eessIV_bot/114499319986528625
- Sharp Gaussian approximations for Decentralized Federated Learning
Soham Bonnerjee, Sayar Karmakar, Wei Biao Wu
https://arxiv.org/abs/2505.08125 https://mastoxiv.page/@arXiv_statML_bot/114505047719395949
- HoloLLM: Multisensory Foundation Model for Language-Grounded Human Sensing and Reasoning
Chuhao Zhou, Jianfei Yang
https://arxiv.org/abs/2505.17645 https://mastoxiv.page/@arXiv_csCV_bot/114572928659057348
- A Copula Based Supervised Filter for Feature Selection in Diabetes Risk Prediction Using Machine ...
Agnideep Aich, Md Monzur Murshed, Sameera Hewage, Amanda Mayeaux
https://arxiv.org/abs/2505.22554 https://mastoxiv.page/@arXiv_statML_bot/114589983451462525
- Synthesis of discrete-continuous quantum circuits with multimodal diffusion models
Florian F\"urrutter, Zohim Chandani, Ikko Hamamura, Hans J. Briegel, Gorka Mu\~noz-Gil
https://arxiv.org/abs/2506.01666 https://mastoxiv.page/@arXiv_quantph_bot/114618420761346125
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Prandtl number dependence of rotating internally heated convection
Rodolfo Ostilla-M\'onico, Ali Arslan
https://arxiv.org/abs/2602.21860 https://arxiv.org/pdf/2602.21860 https://arxiv.org/html/2602.21860
arXiv:2602.21860v1 Announce Type: new
Abstract: We investigate the influence of the Prandtl number ($Pr$) on penetrative internally heated convection (IHC) in both non-rotating and rotating regimes using three-dimensional direct numerical simulations. By varying $Pr$ between 0.1 and 100, we show that the global mean temperature $\langle \overline{T} \rangle$ is not very sensitive to $Pr$, and is primarily controlled by the dynamics of the unstably stratified top boundary layer. In contrast, the Prandtl number dictates the behavior of the lower, stably stratified region and affects the vertical convective heat flux $\langle \overline{wT} \rangle$. In the non-rotating case, low $Pr$ fluids exhibit a ``symmetry recovery'' where turbulent stirring agitates the stable layer, whereas high $Pr$ fluids transition toward a ``dead zone'' of suppressed fluctuations. Under rotation, we find that $\langle \overline{wT} \rangle$ is enhanced across all Prandtl numbers, though global cooling efficiency, measured by the reduction in $\langle \overline{T} \rangle$, is only improved for $Pr\ge1$ due to the emergence of Ekman pumping. These results demonstrate that while IHC shares some scaling similarities with Rayleigh-B\'enard convection at the top boundary, the internal stratification creates a unique sensitivity to $Pr$ that is critical for understanding heat transport in planetary and stellar interiors.
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Crosslisted article(s) found for cs.LG. https://arxiv.org/list/cs.LG/new
[1/3]:
- SMaRT: Online Reusable Resource Assignment and an Application to Mediation in the Kenyan Judiciary
Farabi, Pinto, Lu, Ramos-Maqueda, Das, Deeb, Sautmann
https://arxiv.org/abs/2602.18431 https://mastoxiv.page/@arXiv_csCY_bot/116119352329590193
- Benchmarking Distilled Language Models: Performance and Efficiency in Resource-Constrained Settings
Sachin Gopal Wani, Eric Page, Ajay Dholakia, David Ellison
https://arxiv.org/abs/2602.20164 https://mastoxiv.page/@arXiv_csCL_bot/116130101399805837
- VISION-ICE: Video-based Interpretation and Spatial Identification of Arrhythmia Origins via Neura...
Dorsa EPMoghaddam, Feng Gao, Drew Bernard, Kavya Sinha, Mehdi Razavi, Behnaam Aazhang
https://arxiv.org/abs/2602.20165 https://mastoxiv.page/@arXiv_csCV_bot/116130222034322594
- Benchmarking Early Deterioration Prediction Across Hospital-Rich and MCI-Like Emergency Triage Un...
KMA Solaiman, Joshua Sebastian, Karma Tobden
https://arxiv.org/abs/2602.20168 https://mastoxiv.page/@arXiv_csCY_bot/116130239074411770
- Cross-Chirality Generalization by Axial Vectors for Hetero-Chiral Protein-Peptide Interaction Design
Yang, Tian, Jia, Zhang, Zheng, Wang, Su, He, Liu, Lan
https://arxiv.org/abs/2602.20176 https://mastoxiv.page/@arXiv_qbioBM_bot/116130281674122586
- Enhancing Heat Sink Efficiency in MOSFETs using Physics Informed Neural Networks: A Systematic St...
Aniruddha Bora, Isabel K. Alvarez, Julie Chalfant, Chryssostomos Chryssostomidis
https://arxiv.org/abs/2602.20177 https://mastoxiv.page/@arXiv_csNE_bot/116130397676559696
- Data-Driven Deep MIMO Detection:Network Architectures and Generalization Analysis
Yongwei Yi, Xinping Yi, Wenjin Wang, Xiao Li, Shi Jin
https://arxiv.org/abs/2602.20178 https://mastoxiv.page/@arXiv_eessSP_bot/116130257424413457
- OrgFlow: Generative Modeling of Organic Crystal Structures from Molecular Graphs
Mohammadmahdi Vahediahmar, Matthew A. McDonald, Feng Liu
https://arxiv.org/abs/2602.20195 https://mastoxiv.page/@arXiv_condmatmtrlsci_bot/116130271189617558
- KEMP-PIP: A Feature-Fusion Based Approach for Pro-inflammatory Peptide Prediction
Soumik Deb Niloy, Md. Fahmid-Ul-Alam Juboraj, Swakkhar Shatabda
https://arxiv.org/abs/2602.20198 https://mastoxiv.page/@arXiv_qbioQM_bot/116130341315320687
- Regressor-guided Diffusion Model for De Novo Peptide Sequencing with Explicit Mass Control
Shaorong Chen, Jingbo Zhou, Jun Xia
https://arxiv.org/abs/2602.20209 https://mastoxiv.page/@arXiv_qbioQM_bot/116130374083646541
- The Sim-to-Real Gap in MRS Quantification: A Systematic Deep Learning Validation for GABA
Zien Ma, S. M. Shermer, Oktay Karaku\c{s}, Frank C. Langbein
https://arxiv.org/abs/2602.20289 https://mastoxiv.page/@arXiv_eessSP_bot/116130267228834775
- Gap-Dependent Bounds for Nearly Minimax Optimal Reinforcement Learning with Linear Function Appro...
Haochen Zhang, Zhong Zheng, Lingzhou Xue
https://arxiv.org/abs/2602.20297 https://mastoxiv.page/@arXiv_statML_bot/116130255458256497
- Multilevel Determinants of Overweight and Obesity Among U.S. Children Aged 10-17: Comparative Eva...
Joyanta Jyoti Mondal
https://arxiv.org/abs/2602.20303 https://mastoxiv.page/@arXiv_csAI_bot/116130097466859145
- An artificial intelligence framework for end-to-end rare disease phenotyping from clinical notes ...
Shyr, Hu, Tinker, Cassini, Byram, Hamid, Fabbri, Wright, Peterson, Bastarache, Xu
https://arxiv.org/abs/2602.20324 https://mastoxiv.page/@arXiv_csAI_bot/116130100089848459
- Circuit Tracing in Vision-Language Models: Understanding the Internal Mechanisms of Multimodal Th...
Jingcheng Yang, Tianhu Xiong, Shengyi Qian, Klara Nahrstedt, Mingyuan Wu
https://arxiv.org/abs/2602.20330 https://mastoxiv.page/@arXiv_csCV_bot/116130463214879334
- No One Size Fits All: QueryBandits for Hallucination Mitigation
Nicole Cho, William Watson, Alec Koppel, Sumitra Ganesh, Manuela Veloso
https://arxiv.org/abs/2602.20332 https://mastoxiv.page/@arXiv_csCL_bot/116130370809116915
- Learning During Detection: Continual Learning for Neural OFDM Receivers via DMRS
Mohanad Obeed, Ming Jian
https://arxiv.org/abs/2602.20361 https://mastoxiv.page/@arXiv_csIT_bot/116130289537785136
- Detecting and Mitigating Group Bias in Heterogeneous Treatment Effects
Joel Persson, Jurri\"en Bakker, Dennis Bohle, Stefan Feuerriegel, Florian von Wangenheim
https://arxiv.org/abs/2602.20383 https://mastoxiv.page/@arXiv_statME_bot/116130509065601748
- Selecting Optimal Variable Order in Autoregressive Ising Models
Shiba Biswal, Marc Vuffray, Andrey Y. Lokhov
https://arxiv.org/abs/2602.20394 https://mastoxiv.page/@arXiv_statML_bot/116130299369541741
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