@article{20661, abstract = {We analyse James Webb Space Telescope (JWST) Near Infrared Imager and Slitless Spectrograph (NIRISS) and Near Infrared Spectrograph (NIRSpec) spectroscopic observations in the Abell 2744 galaxy cluster field. From approximately 120 candidates, we identify 12 objects with at least two prominent emission lines among [O II] λ3727, H β λ4861, [O III] λ4959, [O III] λ5007, and H α λ6563 that are spectroscopically confirmed by both instruments. Our key findings reveal systematic differences between the two spectrographs based on source morphology and shutter aperture placement. Compact objects show comparable or higher integrated flux in NIRSpec relative to NIRISS (within 1σ uncertainties), while extended sources consistently display higher flux in NIRISS measurements. This pattern reflects NIRSpec’s optimal coverage for compact objects while potentially undersampling extended sources. Quantitative analysis demonstrates that NIRSpec recovers at least 63 per cent of NIRISS-measured flux when the slit covers >15 per cent of the source or when Re < 1 kpc. For lower coverage or larger effective radii, the recovered flux varies from 24 per cent to 63 per cent. When studying the H α λ6563/[O III] λ5007 emission line ratio, we observe that measurements from these different spectrographs can vary by up to ∼0.3 dex, with significant implications for metallicity and star formation rate characterizations for individual galaxies. These results highlight the importance of considering instrumental effects when combining multi-instrument spectroscopic data and demonstrate that source morphology critically influences flux recovery between slit-based and slitless spectroscopic modes in JWST observations.}, author = {Dalmasso, Nicolò and Watson, Peter J. and Treu, Tommaso and Trenti, Michele and Vulcani, Benedetta and Nanayakkara, Themiya and Bradač, Maruša and Jones, Tucker and Boyett, Kristan and Wang, Xin and Mascia, Sara and Pentericci, Laura}, issn = {1365-2966}, journal = {Monthly Notices of the Royal Astronomical Society}, number = {2}, pages = {1915--1925}, publisher = {Oxford University Press}, title = {{Quantifying spectroscopic flux variations between JWST NIRISS and NIRSpec: Slit losses in emission line measurements of z ∼ 1-3 galaxies}}, doi = {10.1093/mnras/staf1837}, volume = {544}, year = {2025}, } @article{20662, abstract = {Task-based functional magnetic resonance imaging (fMRI) reveals individual differences in neural correlates of cognition but faces scalability challenges due to cognitive demands, protocol variability, and limited task coverage in large datasets. Here, we propose DeepTaskGen, a deep-learning approach that synthesizes non-acquired task-based contrast maps from resting-state (rs-) fMRI. We validate this approach using the Human Connectome Project lifespan data, then generate 47 contrast maps from 7 different cognitive tasks for over 20,000 individuals from UK Biobank. DeepTaskGen outperforms several benchmarks in generating synthetic task-contrast maps, achieving superior reconstruction performance while retaining inter-individual variation essential for biomarker development. We further show comparable or superior predictive performance of synthetic maps relative to actual maps and rs-connectomes across diverse demographic, cognitive, and clinical variables. This approach facilitates the study of individual differences and the generation of task-related biomarkers by enabling the generation of arbitrary functional cognitive tasks from readily available rs-fMRI data.}, author = {Serin, Emin and Ritter, Kerstin and Schumann, Gunter and Banaschewski, Tobias and Marquand, Andre and Walter, Henrik and Ogoh, George and Stahl, Bernd Carsten and Brandlistuen, Ragnhild and Schikowski, Tamara and Young, Allan H. and Xinyang, Yu and Zhang, Zuo and Agunbiade, Kofoworola and Chen, Di and Desrivières, Sylvane and Clinton, Nicholas and Thompson, Paul and Köhler, Venessa and Schwalber, Ameli and Calhoun, Vince D. and Chang, Xiao and Zhang, Yanqing and Li, Yuzhu and Dai, Yuxiang and Yuan, Jiacan and Xia, Yunman and Jia, Tianye and Renner, Paul and Hese, Sören and Spanlang, Bernhard and Pearmund, Charlie and Athanasiadis, Anastasios Polykarpos and Petkoski, Spase and Jirsa, Viktor and Schmitt, Karen and Wilbertz, Johannes H. and Patraskaki, Myrto and Sommer, Peter and Heilmann-Heimbach, Stefanie and Mathey, Carina M. and Miller, Abigail J. and Claus, Isabelle and Nöthen, Markus M. and Hoffmann, Per and Forstner, Andreas J. and Pastor, Alvaro and Gallego, Jaime and Itatani, Reiya and Eiroa-Orosa, Francisco and Feixas, Guillem and Slater, Mel and Novarino, Gaia and Böttger, Sarah Jane and Tschorn, Mira and Rapp, Michael and Ask, Helga and Kjelkenes, Rikka and Fernandez, Sara and Van Der Meer, Dennis and Westlye, Lars T. and Andreassen, Ole A. and Aden, Rieke and Seefried, Beke and Nees, Frauke and Neidhart, Maja and Stringaris, Argyris and Schwarz, Emanuel and Holz, Nathalie and Tost, Heike and Meyer-Lindenberg, Andreas and Christmann, Nina and Janson, Karina and Schepanski, Kerstin and Schütz, Tatjana and Taron, Ulrike Helene and Eils, Roland and Roy, Jean Charles and Lett, Tristram A. and Kebir, Hedi and Polemiti, Elli and Hitchen, Esther and Jentsch, Marcel and Serin, Emin and Bernas, Antoine and Vaidya, Nilakshi and Twardziok, Sven and Ralser, Markus and Heinz, Andreas and Schumann, Gunter}, issn = {2399-3642}, journal = {Communications Biology}, publisher = {Springer Nature}, title = {{Generating synthetic task-based brain fingerprints for population neuroscience using deep learning}}, doi = {10.1038/s42003-025-09158-6}, volume = {8}, year = {2025}, } @article{20663, abstract = {Gravitropism, the patterning of postembryonic growth in relation to the gravity vector, allows plants to optimize the use of limited and nonhomogenous resources in their immediate environment. Since the current model of root gravitropism has not been able to integrate all aspects of the response (perception, response, and behavior), research on gravitropism has been dominated by different theories attempting to conceptualize each aspect individually. In this work, we sought to reevaluate all the main components of the root graviresponse through the lens of angle dependence. We show angle dependence in Cholodny–Went-based auxin asymmetry and growth response, which we tracked back to angle-dependent variation in PIN asymmetry and statolith sedimentation in the columella. Thanks to this approach, we were able to suggest distinct roles for PINs and columella cell tiers, and a potential function for auxin vertical flux through the columella. Our findings provide a unifying framework to further explore the mechanisms that regulate angle-dependent gravitropic response, with major implications of time-dependent features of root graviresponse.}, author = {Roychoudhry, Suruchi and Sageman-Furnas, Katelyn and Taylor, Harry J. and Showpnil, Iftekhar and Wolverton, Chris and Friml, Jiří and Bianco, Marta Del and Kepinski, Stefan}, issn = {1091-6490}, journal = {Proceedings of the National Academy of Sciences}, number = {46}, pages = {e2506400122}, publisher = {National Academy of Sciences}, title = {{Angle dependence as a unifying feature of root graviresponse modules}}, doi = {10.1073/pnas.2506400122}, volume = {122}, year = {2025}, } @article{20666, abstract = {We theoretically investigate the stationary properties of a spin-1/2 impurity immersed in a one-dimensional confined Bose gas. In particular, we consider coherently coupled spin states with an external field, where only one spin component interacts with the bath, enabling light dressing of the impurity and spin-dependent bath-impurity interactions. Through detailed comparisons with ab-initio many-body simulations, we demonstrate that the composite system is accurately described by a simplified effective Hamiltonian. The latter builds upon previously developed effective potential approaches in the absence of light dressing. It can be used to extract the impurity energy, residue, effective mass, and anharmonicity induced by the phononic dressing. Light-dressing is shown to increase the polaron residue, undressing the impurity from phononic excitations because of strong spin coupling. For strong repulsions, previously shown to trigger dynamical Bose polaron decay (a phenomenon called temporal orthogonality catastrophe), it is explained that strong light-dressing stabilizes a repulsive polaron-dressed state. Our results establish the effective Hamiltonian framework as a powerful tool for exploring strongly interacting polaronic systems and corroborating forthcoming experimental realizations.}, author = {Koutentakis, Georgios and Mistakidis, S. I. and Grusdt, F. and Sadeghpour, H. R. and Schmelcher, P.}, issn = {2542-4653}, journal = {Scipost Physics}, number = {4}, publisher = {SciPost Foundation}, title = {{Competition of light-and phonon-dressing in microwave-dressed Bose polarons}}, doi = {10.21468/SciPostPhys.19.4.093}, volume = {19}, year = {2025}, } @inproceedings{20667, abstract = {We explore the problem of mean estimation for a high-dimensional binary symmetric Gaussian mixture model, where the label (sign) follows a time-inhomogeneous Markov chain. We propose a spectral estimator based on a partition of a subset of the samples to blocks. We develop a computationally efficient algorithm to find the optimal blocks, and derive minimax lower bounds on the estimation loss of any estimator, which establish the effectiveness of our proposed estimator. The resulting minimax rate illuminates the interplay between the sample size, dimension, signal strength, and the memory on the loss.}, author = {El Latif Kadry, Abd and Zhang, Yihan and Weinberger, Nir}, booktitle = {2025 IEEE International Symposium on Information Theory Proceedings}, isbn = {9798331543990}, issn = {2157-8095}, location = {Ann Arbor, MI, United States}, publisher = {IEEE}, title = {{Mean estimation in high-dimensional binary timeinhomogeneous Markov Gaussian mixture models}}, doi = {10.1109/ISIT63088.2025.11195426}, year = {2025}, } @article{20669, abstract = {Ice cliffs and supraglacial ponds are key drivers of mass loss on debris-covered glaciers. However, the relationship between melt ponds and adjacent ice cliffs has not been fully explored. We investigated the seasonal drainage patterns of a melt pond on the debris-covered Zhuxi Glacier in southeast Tibet and estimated the mass loss of its adjacent ice cliff during 2023-2024. Using hourly time-lapse photogrammetry we built a series of high-resolution point clouds to quantify the evolution of the ice cliff-pond system. Our findings indicate that subaerial melting and undercutting were the primary mechanisms of ice cliff mass loss during summer. In winter when the pond water level dropped, ice cliff calving became the dominant mode of ice loss. As the water level rose in spring, calving and subaerial melting occurred simultaneously and ice loss from calving accounted for approximately 19.5 % of total ice loss from February to July 2024. Our results reveal the transitional state of this ice cliff-pond system, exhibiting characteristics of both melt hotspots and lake-terminating calving fronts, and highlight the interplay between seasonal drainage-refill pond and differing modes of ice loss on adjacent ice cliff. Future research should focus on additional high-resolution monitoring of similar systems and incorporation of ice cliff-pond dynamics in glacier-scale numerical models. }, author = {He, Zhen and Westoby, Matthew and Ren, Shaoting and Zhao, Chuanxi and He, Yifei and Zhang, Tianzhao and Yang, Wei}, issn = {1727-5652}, journal = {Journal of Glaciology}, publisher = {Cambridge University Press}, title = {{Quantifying the seasonal dynamics of a transitional ice cliff-pond system on a debris-covered glacier}}, doi = {10.1017/jog.2025.10104}, year = {2025}, } @article{20670, abstract = {β-Barrel nanopores are involved in crucial biological processes, from ATP export in mitochondria to bacterial resistance, and represent a promising platform for emerging sequencing technologies. However, in contrast to ion channels, the understanding of the fundamental principles governing ion transport through these nanopores remains largely unexplored. Here we integrate experimental, numerical and theoretical approaches to elucidate ion transport mechanisms in β-barrel nanopores. We identify and characterize two distinct nonlinear phenomena: open-pore rectification and gating. Through extensive mutation analysis of aerolysin nanopores, we demonstrate that open-pore rectification is caused by ionic accumulation driven by the distribution of lumen charges. In addition, we provide converging evidence suggesting that gating is controlled by electric fields dissociating counterions from lumen charges, promoting local structural deformations. Our findings establish a rigorous framework for characterizing and understanding ion transport processes in protein-based nanopores, enabling the design of adaptable nanofluidic biotechnologies. We illustrate this by optimizing an aerolysin mutant for computing applications.}, author = {Mayer, Simon and Mitsioni, Marianna Fanouria and Robin, Paul and Van Den Heuvel, Lukas and Ronceray, Nathan and Marcaida, Maria Jose and Abriata, Luciano A. and Krapp, Lucien F. and Anton, Jana S. and Soussou, Sarah and Jeanneret-Grosjean, Justin and Fulciniti, Alessandro and Möller, Alexia and Vacle, Sarah and Feletti, Lely and Brinkerhoff, Henry and Laszlo, Andrew H. and Gundlach, Jens H. and Emmerich, Theo and Dal Peraro, Matteo and Radenovic, Aleksandra}, issn = {1748-3395}, journal = {Nature Nanotechnology}, publisher = {Springer Nature}, title = {{Lumen charge governs gated ion transport in β-barrel nanopores}}, doi = {10.1038/s41565-025-02052-6}, year = {2025}, } @inproceedings{20684, abstract = {Quantization is a powerful tool for accelerating large language model (LLM) inference, but the accuracy-performance trade-offs across different formats remain unclear. In this paper, we conduct the most comprehensive empirical study to date, evaluating FP8, INT8, and INT4 quantization across academic benchmarks and real-world tasks on the entire Llama-3.1 model family. Through over 500,000 evaluations, our investigation yields several key findings: (1) FP8 (W8A8-FP) is effectively lossless across all model scales, (2) well-tuned INT8 (W8A8-INT) achieves surprisingly low (1-3%) accuracy degradation, and (3) INT4 weightonly (W4A16-INT) is more competitive than expected, rivaling 8-bit quantization. Further, we investigate the optimal quantization format for different deployments by analyzing inference performance through the popular vLLM framework. Our analysis provides clear deployment recommendations: W4A16 is the most cost-efficient for synchronous setups, while W8A8 dominates in asynchronous continuous batching. For mixed workloads, the optimal choice depends on the specific use case. Our findings offer practical, data-driven guidelines for deploying quantized LLMs at scale—ensuring the best balance between speed, efficiency, and accuracy. }, author = {Kurtic, Eldar and Marques, Alexandre and Pandit, Shubhra and Kurtz, Mark and Alistarh, Dan-Adrian}, booktitle = {Proceedings of the 63rd Annual Meeting of the Association for Computational Linguistics}, isbn = {9798891762510}, issn = {0736-587X}, location = {Vienna, Austria}, pages = {26872--26886}, publisher = {Association for Computational Linguistics}, title = {{“Give me BF16 or give me death”? Accuracy-performance trade-offs in LLM quantization}}, year = {2025}, } @article{20685, abstract = {The Next Generation of Earth Modeling Systems (nextGEMS) project aimed to produce multidecadal climate simulations, for the first time, with resolved kilometer-scale (km-scale) processes in the ocean, land, and atmosphere. In only 3 years, nextGEMS achieved this milestone with the two km-scale Earth system models, ICOsahedral Non-hydrostatic model (ICON) and Integrated Forecasting System coupled to the Finite-volumE Sea ice-Ocean Model (IFS-FESOM). nextGEMS was based on three cornerstones: (1) developing km-scale Earth system models with small errors in the energy and water balance, (2) performing km-scale climate simulations with a throughput greater than 1 simulated year per day, and (3) facilitating new workflows for an efficient analysis of the large simulations with common data structures and output variables. These cornerstones shaped the timeline of nextGEMS, divided into four cycles. Each cycle marked the release of a new configuration of ICON and IFS-FESOM, which were evaluated at hackathons. The hackathon participants included experts from climate science, software engineering, and high-performance computing as well as users from the energy and agricultural sectors. The continuous efforts over the four cycles allowed us to produce 30-year simulations with ICON and IFS-FESOM, spanning the period 2020–2049 under the SSP3-7.0 scenario. The throughput was about 500 simulated days per day on the Levante supercomputer of the German Climate Computing Center (DKRZ). The simulations employed a horizontal grid of about 5 km resolution in the ocean and 10 km resolution in the atmosphere and land. Aside from this technical achievement, the simulations allowed us to gain new insights into the realism of ICON and IFS-FESOM. Beyond its time frame, nextGEMS builds the foundation of the Climate Change Adaptation Digital Twin developed in the Destination Earth initiative and paves the way for future European research on climate change.}, author = {Segura, Hans and Pedruzo-Bagazgoitia, Xabier and Weiss, Philipp and Müller, Sebastian K. and Rackow, Thomas and Lee, Junhong and Dolores-Tesillos, Edgar and Benedict, Imme and Aengenheyster, Matthias and Aguridan, Razvan and Arduini, Gabriele and Baker, Alexander J. and Bao, Jiawei and Bastin, Swantje and Baulenas, Eulàlia and Becker, Tobias and Beyer, Sebastian and Bockelmann, Hendryk and Brüggemann, Nils and Brunner, Lukas and Cheedela, Suvarchal K. and Das, Sushant and Denissen, Jasper and Dragaud, Ian and Dziekan, Piotr and Ekblom, Madeleine and Engels, Jan Frederik and Esch, Monika and Forbes, Richard and Frauen, Claudia and Freischem, Lilli and García-Maroto, Diego and Geier, Philipp and Gierz, Paul and González-Cervera, Álvaro and Grayson, Katherine and Griffith, Matthew and Gutjahr, Oliver and Haak, Helmuth and Hadade, Ioan and Haslehner, Kerstin and ul Hasson, Shabeh and Hegewald, Jan and Kluft, Lukas and Koldunov, Aleksei and Koldunov, Nikolay and Kölling, Tobias and Koseki, Shunya and Kosukhin, Sergey and Kousal, Josh and Kuma, Peter and Kumar, Arjun U. and Li, Rumeng and Maury, Nicolas and Meindl, Maximilian and Milinski, Sebastian and Mogensen, Kristian and Niraula, Bimochan and Nowak, Jakub and Praturi, Divya Sri and Proske, Ulrike and Putrasahan, Dian and Redler, René and Santuy, David and Sármány, Domokos and Schnur, Reiner and Scholz, Patrick and Sidorenko, Dmitry and Spät, Dorian and Sützl, Birgit and Takasuka, Daisuke and Tompkins, Adrian and Uribe, Alejandro and Valentini, Mirco and Veerman, Menno and Voigt, Aiko and Warnau, Sarah and Wachsmann, Fabian and Wacławczyk, Marta and Wedi, Nils and Wieners, Karl-Hermann and Wille, Jonathan and Winkler, Marius and Wu, Yuting and Ziemen, Florian and Zimmermann, Janos and Bender, Frida A.-M. and Bojovic, Dragana and Bony, Sandrine and Bordoni, Simona and Brehmer, Patrice and Dengler, Marcus and Dutra, Emanuel and Faye, Saliou and Fischer, Erich and van Heerwaarden, Chiel and Hohenegger, Cathy and Järvinen, Heikki and Jochum, Markus and Jung, Thomas and Jungclaus, Johann H. and Keenlyside, Noel S. and Klocke, Daniel and Konow, Heike and Klose, Martina and Malinowski, Szymon and Martius, Olivia and Mauritsen, Thorsten and Mellado, Juan Pedro and Mieslinger, Theresa and Mohino, Elsa and Pawłowska, Hanna and Peters-von Gehlen, Karsten and Sarré, Abdoulaye and Sobhani, Pajam and Stier, Philip and Tuppi, Lauri and Vidale, Pier Luigi and Sandu, Irina and Stevens, Bjorn}, issn = {1991-9603}, journal = {Geoscientific Model Development}, number = {20}, pages = {7735--7761}, publisher = {Copernicus Publications}, title = {{nextGEMS: Entering the era of kilometer-scale Earth system modeling}}, doi = {10.5194/gmd-18-7735-2025}, volume = {18}, year = {2025}, } @article{20686, abstract = {Emission from two massive black holes (MBHs) bound in a close binary is expected to be modulated by different processes, such as the Doppler boost due to the orbital motion, accretion rate variability generated by the interaction with a circumbinary disc, and binary gravitational self-lensing. When the binary is compact enough, the two black holes are thought to be surrounded by a common broad-line region that reprocesses the impinging periodically varying ionising flux, creating broad emission lines with variable line shapes. Therefore, the study of broad emission line variability through multi-epoch spectroscopic campaigns is of paramount importance for the unambiguous identification of a binary. In this work, we study the response of a disc-like broad-line region to the Doppler-boosted ionising flux emitted by sub-milliparsec MBH binaries on a circular orbit and compare it with the response of a broad-line region illuminated by a single MBH with a periodically but isotropically varying intrinsic luminosity. We show that in the binary case, the time lags of the blue and red wings of the broad emission lines, arising from diametrically opposite sides of the circumbinary disc, are out of phase by half of the binary’s orbital period, as they each respond to the periodic ‘lighthouse’ modulation from the binary’s continuum emission. This asymmetric time lag represents a new binary signature that cannot be mimicked by a single MBH.}, author = {Bertassi, Lorenzo and Sottocorno, Erika and Rigamonti, Fabio and D’Orazio, Daniel and Eracleous, Michael and Haiman, Zoltán and Dotti, Massimo}, issn = {1432-0746}, journal = {Astronomy & Astrophysics}, publisher = {EDP Sciences}, title = {{Testing compact massive black hole binary candidates through multi-epoch spectroscopy}}, doi = {10.1051/0004-6361/202554574}, volume = {702}, year = {2025}, } @inproceedings{20688, abstract = {We consider two-player zero-sum concurrent stochastic games (CSGs) played on graphs with reachability and safety objectives. These include degenerate classes such as Markov decision processes or turn-based stochastic games, which can be solved by linear or quadratic programming; however, in practice, value iteration (VI) outperforms the other approaches and is the most implemented method. Similarly, for CSGs, this practical performance makes VI an attractive alternative to the standard theoretical solution via the existential theory of reals.VI starts with an under-approximation of the sought values for each state and iteratively updates them, traditionally terminating once two consecutive approximations are ϵ-close. However, this stopping criterion lacks guarantees on the precision of the approximation, which is the goal of this work. We provide bounded (a.k.a. interval) VI for CSGs: it complements standard VI with a converging sequence of over-approximations and terminates once the over- and under-approximations are ϵ-close.}, author = {Grobelna, Marta and Kretinsky, Jan and Weininger, Maximilian}, booktitle = {2025 40th Annual ACM/IEEE Symposium on Logic in Computer Science}, location = {Singapore, Singapore}, pages = {568--580}, publisher = {IEEE}, title = {{Stopping criteria for value iteration on concurrent stochastic reachability and safety games}}, doi = {10.1109/lics65433.2025.00049}, year = {2025}, } @inproceedings{20689, abstract = {This paper studies the expected value of multiplicative rewards, where rewards obtained in each step are multiplied (instead of the usual addition), in Markov chains (MCs) and Markov decision processes (MDPs). One of the key differences to additive rewards is that the expected value may diverge to ∞ not only due to recurrent, but also due to transient states.For MCs, computing the value is shown to be possible in polynomial time given an oracle for the comparison of succinctly represented integers (CSRI), which is only known to be solvable in polynomial time subject to number-theoretic conjectures. Interestingly, distinguishing whether the value is ∞ or 0 is at least as hard as CSRI, while determining if it is one of these two can be done in polynomial time. In MDPs, the optimal value can be computed in polynomial space. Further refined complexity results and results on the complexity of optimal schedulers are presented. The techniques developed for MDPs additionally allow to solve the multiplicative variant of the stochastic shortest path problem. Finally, for MCs and MDPs where an absorbing state is reached almost surely, all considered problems are solvable in polynomial time.}, author = {Baier, Christel and Chatterjee, Krishnendu and Meggendorfer, Tobias and Piribauer, Jakob}, booktitle = {2025 40th Annual ACM/IEEE Symposium on Logic in Computer Science}, location = {Singapore, Singapore}, pages = {499--512}, publisher = {IEEE}, title = {{Multiplicative rewards in Markovian models}}, doi = {10.1109/lics65433.2025.00044}, year = {2025}, } @inproceedings{20690, abstract = {Cumulative prospect theory (CPT) is the first theory for decision-making under uncertainty that combines full theoretical soundness and empirically realistic features [1], [Page 2]. While CPT was originally considered in one-shot settings for risk-aware decision-making, we consider CPT in sequential decision-making. The most fundamental and well-studied models for sequential decision-making are Markov chains (MCs), and their generalization Markov decision processes (MDPs). The complexity theoretic study of MCs and MDPs with CPT is a fundamental problem that has not been addressed in the literature.Our contributions are as follows: First, we present an alternative viewpoint for the CPT-value of MCs and MDPs. This allows us to establish a connection with multi-objective reachability analysis and conclude the strategy complexity result that memoryless randomized strategies are necessary and sufficient for optimality. Second, based on this connection, we provide an algorithm for computing the CPT-value in MDPs with infinite-horizon objectives. We show that the problem is in EXPTIME and fixed-parameter tractable. Moreover, we provide a polynomial-time algorithm for the special case of MCs.}, author = {Brihaye, Thomas and Chatterjee, Krishnendu and Mohr, Stefanie and Weininger, Maximilian}, booktitle = {2025 40th Annual ACM/IEEE Symposium on Logic in Computer Science}, location = {Singapore, Singapore}, pages = {458--471}, publisher = {IEEE}, title = {{Risk-aware Markov decision processes using cumulative prospect theory}}, doi = {10.1109/lics65433.2025.00041}, year = {2025}, } @article{20702, abstract = {Qualitative and quantitative orbital properties such as bonding/antibonding character, localization, and orbital energies are critical to how chemists understand reactivity, catalysis, and excited-state behavior. Despite this, representations of orbitals in deep learning models have been very underdeveloped relative to representations of molecular geometries and Hamiltonians. Here, we apply state-of-the-art equivariant deep learning architectures to the task of assigning global labels to orbitals, namely energies characterizations, given the molecular coefficients from Hartree–Fock or density functional theory. The architecture we have developed, the Cartesian Equivariant Orbital Network (CEONET), shows how molecular orbital coefficients are readily featurized as equivariant node features common to all graph-based machine-learned potentials. We find that CEONET performs well at predicting difficult quantitative labels such as the orbital energy and orbital entropy. Furthermore, we find that the CEONET representation provides an intuitive latent space for differentiating orbital character for the qualitative assignment of e.g. bonding or antibonding character. In addition to providing a useful representation for further integrating deep learning with electronic structure theory, we expect CEONET to be useful for automatizing and interpreting the results of advanced electronic structure methods such as complete active space self-consistent field theory. In particular, the ability of CEONET to infer multireference character via the orbital entropy paves the way toward the machine-learned selection of active spaces.}, author = {King, Daniel S. and Grzenda, Daniel and Zhu, Ray and Hudson, Nathaniel and Foster, Ian and Cheng, Bingqing and Gagliardi, Laura}, issn = {1091-6490}, journal = {Proceedings of the National Academy of Sciences}, number = {48}, publisher = {National Academy of Sciences}, title = {{Cartesian equivariant representations for learning and understanding molecular orbitals}}, doi = {10.1073/pnas.2510235122}, volume = {122}, year = {2025}, } @article{20704, abstract = {Generative models have advanced significantly in sampling material systems with continuous variables, such as atomistic structures. However, their application to discrete variables, like atom types or spin states, remains underexplored. In this work, we introduce a discrete flow matching model, tailored for systems with discrete phase-space coordinates (e.g., the Ising model or a multicomponent system on a lattice). This approach enables a single model to sample free energy surfaces over a wide temperature range with minimal training overhead, and the model generation is scalable to larger lattice sizes than those in the training set. We demonstrate our approach on the 2D Ising model, showing efficient and reliable free energy sampling. These results highlight the potential of flow matching for low-cost, scalable free energy sampling in discrete systems and suggest promising extensions to alchemical degrees of freedom in crystalline materials. The codebase developed for this work is openly available at https://github.com/tuoping/alchemicalFES.}, author = {Tuo, Ping and Zeng, Zezhu and Chen, Jiale and Cheng, Bingqing}, issn = {1549-9626}, journal = {Journal of Chemical Theory and Computation}, number = {22}, pages = {11427--11435}, publisher = {American Chemical Society}, title = {{Scalable multitemperature free energy sampling of classical Ising spin states}}, doi = {10.1021/acs.jctc.5c01248}, volume = {21}, year = {2025}, } @article{20706, abstract = {We experimentally realize a quantum clock by using a charge sensor to count charges tunneling through a double quantum dot (DQD). Individual tunneling events are used as the clock’s ticks. We quantify the clock’s precision while measuring the power dissipated by the DQD and, separately, the charge sensor in both direct-current and radio-frequency readout modes. This allows us to probe the thermodynamic cost of creating ticks microscopically and recording them macroscopically. Our experiment is the first to explore the interplay between the entropy produced by a microscopic clockwork and its macroscopic measurement apparatus. We show that the latter contribution not only dwarfs the former but also unlocks greatly increased precision, because the measurement record can be exploited to optimally estimate time even when the DQD is at equilibrium. Our results suggest that the entropy produced by the amplification and measurement of a clock’s ticks, which has often been ignored in the literature, is the most important and fundamental thermodynamic cost of timekeeping at the quantum scale.}, author = {Wadhia, Vivek and Meier, Florian and Fedele, Federico and Silva, Ralph and Nurgalieva, Nuriya and Craig, David L. and Jirovec, Daniel and Saez Mollejo, Jaime and Ballabio, Andrea and Chrastina, Daniel and Isella, Giovanni and Huber, Marcus and Mitchison, Mark T. and Erker, Paul and Ares, Natalia}, issn = {1079-7114}, journal = {Physical Review Letters}, number = {20}, publisher = {American Physical Society}, title = {{Entropic costs of extracting classical ticks from a quantum clock}}, doi = {10.1103/5rtj-djfk}, volume = {135}, year = {2025}, } @inproceedings{20707, abstract = {Understanding physiological responses during running is critical for performance optimization, tailored training prescriptions, and athlete health management. We introduce a comprehensive framework—what we believe to be the first capable of predicting instantaneous oxygen consumption (VO2) trajectories exclusively from consumer-grade wearable data. Our approach employs two complementary physiological models: (1) accurate modeling of heart rate (HR) dynamics via a physiologically constrained ordinary differential equation (ODE) and neural Kalman filter, trained on over 3 million HR observations, achieving 1-second interval predictions with mean absolute errors as low as 2.81 bpm (correlation 0.87); and (2) leveraging the principles of precise HR modeling, a novel VO2 prediction architecture requiring only the initial second of VO2 data for calibration, enabling robust, sequence-to-sequence metabolic demand estimation. Despite relying solely on smartwatch and chest-strap data, our method achieves mean absolute percentage errors of approximately 13%, effectively capturing rapid physiological transitions and steady-state conditions across diverse running intensities. Our synchronized dataset, complemented by blood lactate measurements, further lays the foundation for future noninvasive metabolic zone identification. By embedding physiological constraints within modern machine learning, this framework democratizes advanced metabolic monitoring, bridging laboratory-grade accuracy and everyday accessibility, thus empowering both elite athletes and recreational fitness enthusiasts.}, author = {Gahtan, Barak and Vedula, Sanketh and Samuelly Leichtag, Gil and Kodesh, Einat and Bronstein, Alexander}, booktitle = {Proceedings of the 27th International Conference on Multimodal Interaction}, isbn = {9798400714993}, location = {Canberra, Australia}, pages = {60--77}, publisher = {Association for Computing Machinery}, title = {{From lab to wrist: Bridging metabolic monitoring and consumer wearables for heart rate and oxygen consumption modeling}}, doi = {10.1145/3716553.3750815}, year = {2025}, } @article{20708, abstract = {In equilibrium, the physical properties of matter are set by the interactions between the constituents. In contrast, the energy input of the individual components controls the behavior of synthetic or living active matter. Great progress has been made in understanding the emergent phenomena in active fluids, though their inability to resist shear forces hinders their practical use. This motivates the exploration of active solids as shape-shifting materials, yet, we lack controlled synthetic systems to devise active solids with unconventional properties. Here we build active elastic beams from dozens of active colloids and unveil complex emergent behaviors such as self-oscillations or persistent rotations. Developing tensile tests at the microscale, we show that the active beams are ultrasoft materials, with large (nonequilibrium) fluctuations. Combining experiments, theory, and stochastic inference, we show that the dynamics of the active beams can be mapped on different phase transitions which are tuned by boundary conditions. More quantitatively, we assess all relevant parameters by independent measurements or first-principles calculations, and find that our theoretical description agrees with the experimental observations. Our results demonstrate that the simple addition of activity to an elastic beam unveils novel physics and can inspire design strategies for active solids and functional microscopic machines.}, author = {Martinet, Quentin and Li, Yuting I and Aubret, A. and Hannezo, Edouard B and Palacci, Jérémie A}, issn = {2160-3308}, journal = {Physical Review X}, number = {4}, publisher = {American Physical Society}, title = {{Emergent dynamics of active elastic microbeams}}, doi = {10.1103/rjk2-q2wh}, volume = {15}, year = {2025}, } @article{20709, abstract = {Non-Hermitian many-body localization (NH MBL) has emerged as a possible scenario for stable localization in open systems, as suggested by spectral indicators identifying a putative transition for finite system sizes. In this work, we shift the focus to dynamical probes, specifically the steady-state spin current, to investigate transport properties in a disordered, non-Hermitian XXZ spin chain. Through exact diagonalization for small systems and tensor-network methods for larger chains, we demonstrate that the steady-state current remains finite and decays exponentially with disorder strength, showing no evidence of a transition up to disorder values far beyond the previously claimed critical point. Our results reveal a stark discrepancy between spectral indicators, which suggest localization, and transport behavior, which indicates delocalization. This highlights the importance of dynamical observables in characterizing NH MBL and suggests that traditional spectral measures may not fully capture the physics of non-Hermitian systems. Additionally, we observe a noncommutativity of limits in system size and time, further complicating the interpretation of finite-size studies. These findings challenge the existence of NH MBL in the studied model and underscore the need for alternative approaches to understanding localization in non-Hermitian settings.}, author = {Brighi, Pietro and Ljubotina, Marko and Roccati, Federico and Balducci, Federico}, issn = {2643-1564}, journal = {Physical Review Research}, number = {4}, publisher = {American Physical Society}, title = {{Finite steady-state current defies non-Hermitian many-body localization}}, doi = {10.1103/crwj-x7j8}, volume = {7}, year = {2025}, } @article{20710, abstract = {Mountain glaciers offer opportunities to observe boundary layer exchanges in conditions characterized by predominantly stable stratification, thermally driven winds, and varying surface roughness. Logistical challenges involved in instrumenting glacier surfaces mean that in situ observations remain relatively scarce, limiting the use of this outdoor laboratory. The second Hintereisferner Experiment (HEFEX II) was carried out on an Austrian Alpine glacier during summer 2023. This collaborative endeavor, involving 12 institutions from Austria, France, Germany, Switzerland, and the United Kingdom, represents an unprecedented set of observations of glacier microclimate. Instrumentation on the glacier surface consisted of eight 3-m and two 5-m weather stations equipped with multilevel eddy covariance systems and auxiliary instrumentation, and eight additional lower-specification weather stations. These operated successfully for 26 days with minimal data gaps. During a 3-day intensive observational period, additional instrumentation was deployed: a short-path ultrasonic anemometer installed very close to the glacier surface; a high-speed thermal camera capturing high-resolution boundary layer heat transport at the glacier centerline on a synthetic screen; 3D sampling of the glacier boundary layer using two meteorological UAVs; and a Streamline XR Doppler lidar capturing the structure of the above-valley atmosphere. These novel datasets are valuable for improving understanding of glacier–atmosphere exchange processes, the role of glaciers in valley circulation, and how both might be affected by continued climate change and glacier recession. Here, we detail the scientific goals and implementation of the campaign, describe the general weather conditions, and present first insights into what the observations reveal about the glacier boundary layer features observed during the campaign.}, author = {Nicholson, Lindsey and Stiperski, Ivana and Nitti, Giordano and Prinz, Rainer and Georgi, Alexander and Groos, Alexander R. and Shaw, Thomas and Sauter, Tobias and Haugeneder, Michael and Mott, Rebecca and Sicart, Jean Emmanuel and Brock, Ben W. and Albers, Roland and Allegri, Balthazar and Barral, Hélène and Biron, Romain and Charrondiere, Claudine and Coulaud, Catherine and Fischer, Alexander and Reynolds, Dylan and Richter, Niklas and Schroeder, Marie and Vettori, Phillip and Voordendag, Annelies and Wydra, Carlos}, issn = {1520-0477}, journal = {Bulletin of the American Meteorological Society}, number = {10}, pages = {E2143--E2169}, publisher = {American Meteorological Society}, title = {{The second Hintereisferner experiment (HEFEX II): Initial insights into boundary layer structure and surface–atmosphere exchange processes from intensive observations at a valley glacier}}, doi = {10.1175/BAMS-D-24-0010.1}, volume = {106}, year = {2025}, }