Daily Papers

The ability to discover new materials with desirable properties is critical for numerous applications from helping mitigate climate change to advances in next generation computing hardware. AI has the potential to accelerate materials discovery and design by more effectively exploring the chemical space compared to other computational methods or by trial-and-error. While substantial progress has been made on AI for materials data, benchmarks, and models, a barrier that has emerged is the lack of publicly available training data and open pre-trained models. To address this, we present a Meta FAIR release of the Open Materials 2024 (OMat24) large-scale open dataset and an accompanying set of pre-trained models. OMat24 contains over 110 million density functional theory (DFT) calculations focused on structural and compositional diversity. Our EquiformerV2 models achieve state-of-the-art performance on the Matbench Discovery leaderboard and are capable of predicting ground-state stability and formation energies to an F1 score above 0.9 and an accuracy of 20 meV/atom, respectively. We explore the impact of model size, auxiliary denoising objectives, and fine-tuning on performance across a range of datasets including OMat24, MPtraj, and Alexandria. The open release of the OMat24 dataset and models enables the research community to build upon our efforts and drive further advancements in AI-assisted materials science.

Quantum Krylov subspace diagonalization (QKSD) algorithms provide a low-cost alternative to the conventional quantum phase estimation algorithm for estimating the ground and excited-state energies of a quantum many-body system. While QKSD algorithms typically rely on using the Hadamard test for estimating Krylov subspace matrix elements of the form, langle ϕ_i|e^{-iHτ}|ϕ_j rangle, the associated quantum circuits require an ancilla qubit with controlled multi-qubit gates that can be quite costly for near-term quantum hardware. In this work, we show that a wide class of Hamiltonians relevant to condensed matter physics and quantum chemistry contain symmetries that can be exploited to avoid the use of the Hadamard test. We propose a multi-fidelity estimation protocol that can be used to compute such quantities showing that our approach, when combined with efficient single-fidelity estimation protocols, provides a substantial reduction in circuit depth. In addition, we develop a unified theory of quantum Krylov subspace algorithms and present three new quantum-classical algorithms for the ground and excited-state energy estimation problems, where each new algorithm provides various advantages and disadvantages in terms of total number of calls to the quantum computer, gate depth, classical complexity, and stability of the generalized eigenvalue problem within the Krylov subspace.

The development of Vision-Language-Action (VLA) models has been significantly accelerated by pre-trained Vision-Language Models (VLMs). However, most existing end-to-end VLAs treat the VLM primarily as a multimodal encoder, directly mapping vision-language features to low-level actions. This paradigm underutilizes the VLM's potential in high-level decision making and introduces training instability, frequently degrading its rich semantic representations. To address these limitations, we introduce DIAL, a framework bridging high-level decision making and low-level motor execution through a differentiable latent intent bottleneck. Specifically, a VLM-based System-2 performs latent world modeling by synthesizing latent visual foresight within the VLM's native feature space; this foresight explicitly encodes intent and serves as the structural bottleneck. A lightweight System-1 policy then decodes this predicted intent together with the current observation into precise robot actions via latent inverse dynamics. To ensure optimization stability, we employ a two-stage training paradigm: a decoupled warmup phase where System-2 learns to predict latent futures while System-1 learns motor control under ground-truth future guidance within a unified feature space, followed by seamless end-to-end joint optimization. This enables action-aware gradients to refine the VLM backbone in a controlled manner, preserving pre-trained knowledge. Extensive experiments on the RoboCasa GR1 Tabletop benchmark show that DIAL establishes a new state-of-the-art, achieving superior performance with 10x fewer demonstrations than prior methods. Furthermore, by leveraging heterogeneous human demonstrations, DIAL learns physically grounded manipulation priors and exhibits robust zero-shot generalization to unseen objects and novel configurations during real-world deployment on a humanoid robot.

Preparing the ground state of a given Hamiltonian and estimating its ground energy are important but computationally hard tasks. However, given some additional information, these problems can be solved efficiently on a quantum computer. We assume that an initial state with non-trivial overlap with the ground state can be efficiently prepared, and the spectral gap between the ground energy and the first excited energy is bounded from below. With these assumptions we design an algorithm that prepares the ground state when an upper bound of the ground energy is known, whose runtime has a logarithmic dependence on the inverse error. When such an upper bound is not known, we propose a hybrid quantum-classical algorithm to estimate the ground energy, where the dependence of the number of queries to the initial state on the desired precision is exponentially improved compared to the current state-of-the-art algorithm proposed in [Ge et al. 2019]. These two algorithms can then be combined to prepare a ground state without knowing an upper bound of the ground energy. We also prove that our algorithms reach the complexity lower bounds by applying it to the unstructured search problem and the quantum approximate counting problem.

Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which can be challenging for large, strongly-correlated systems. This issue has motivated the study of physically-inspired dynamical approaches such as thermodynamic cooling. In this work, we introduce a ground-state preparation algorithm based on the simulation of quantum dynamics. Our main insight is to transform the Hamiltonian by a shifted sign function via quantum signal processing, effectively mapping eigenvalues into positive and negative subspaces separated by a large gap. This automatically ensures that all states within each subspace conserve energy with respect to the transformed Hamiltonian. Subsequent time-evolution with a perturbed Hamiltonian induces transitions to lower-energy states while preventing unwanted jumps to higher energy states. The approach does not rely on a priori knowledge of energy gaps and requires no additional qubits to model a bath. Furthermore, it makes mathcal{O}(d^{,3/2}/epsilon) queries to the time-evolution operator of the system and mathcal{O}(d^{,3/2}) queries to a block-encoding of the perturbation, for d cooling steps and an epsilon-accurate energy resolution. Our results provide a framework for combining quantum signal processing and Hamiltonian simulation to design heuristic quantum algorithms for ground-state preparation.

Finding the ground state of a quantum many-body system is a fundamental problem in quantum physics. In this work, we give a classical machine learning (ML) algorithm for predicting ground state properties with an inductive bias encoding geometric locality. The proposed ML model can efficiently predict ground state properties of an n-qubit gapped local Hamiltonian after learning from only O(log(n)) data about other Hamiltonians in the same quantum phase of matter. This improves substantially upon previous results that require O(n^c) data for a large constant c. Furthermore, the training and prediction time of the proposed ML model scale as O(n log n) in the number of qubits n. Numerical experiments on physical systems with up to 45 qubits confirm the favorable scaling in predicting ground state properties using a small training dataset.

A fundamental problem in quantum many-body physics is that of finding ground states of local Hamiltonians. A number of recent works gave provably efficient machine learning (ML) algorithms for learning ground states. Specifically, [Huang et al. Science 2022], introduced an approach for learning properties of the ground state of an n-qubit gapped local Hamiltonian H from only n^{O(1)} data points sampled from Hamiltonians in the same phase of matter. This was subsequently improved by [Lewis et al. Nature Communications 2024], to O(log n) samples when the geometry of the n-qubit system is known. In this work, we introduce two approaches that achieve a constant sample complexity, independent of system size n, for learning ground state properties. Our first algorithm consists of a simple modification of the ML model used by Lewis et al. and applies to a property of interest known beforehand. Our second algorithm, which applies even if a description of the property is not known, is a deep neural network model. While empirical results showing the performance of neural networks have been demonstrated, to our knowledge, this is the first rigorous sample complexity bound on a neural network model for predicting ground state properties. We also perform numerical experiments that confirm the improved scaling of our approach compared to earlier results.

Multi-agent large language model (LLM) systems often rely on verifier and critic agents to suppress hallucinations, but verification is delayed. During this delay, false claims can propagate through the agent network. We model this process as delayed consensus on a graph with grounded corrector nodes. Spectral decomposition by the grounded Laplacian yields a closed-form stability threshold for the verification dose: correction that is too strong or too delayed can turn consensus into oscillation. The most unstable regime occurs when the communication and verification delays coincide; for delay two, the threshold is the inverse golden ratio. The same framework gives a supermodular placement objective and a greedy (1-1/e)-approximation rule for assigning a limited corrector budget to influential nodes. Experiments across five open models confirm the predicted dose-delay oscillations. By contrast, grounded factual answering makes truth an absorbing boundary and eliminates the effect, suggesting that the instability is specific to signed-belief tasks while grounded verification remains stabilizing

Along the way initiated by Carleo and Troyer [1], we construct the neural-network quantum state of transverse-field Ising model(TFIM) by an unsupervised machine learning method. Such a wave function is a map from the spin-configuration space to the complex number field determined by an array of network parameters. To get the ground state of the system, values of the network parameters are calculated by a Stochastic Reconfiguration(SR) method. We provide for this SR method an understanding from action principle and information geometry aspects. With this quantum state, we calculate key observables of the system, the energy, correlation function, correlation length, magnetic moment and susceptibility. As innovations, we provide a high efficiency method and use it to calculate entanglement entropy (EE) of the system and get results consistent with previous work very well.

The ground state search problem is central to quantum computing, with applications spanning quantum chemistry, condensed matter physics, and optimization. The Variational Quantum Eigensolver (VQE) has shown promise for small systems but faces significant limitations. These include barren plateaus, restricted ansatz expressivity, and reliance on domain-specific structure. We present SpinGQE, an extension of the Generative Quantum Eigensolver (GQE) framework to spin Hamiltonians. Our approach reframes circuit design as a generative modeling task. We employ a transformer-based decoder to learn distributions over quantum circuits that produce low-energy states. Training is guided by a weighted mean-squared error loss between model logits and circuit energies evaluated at each gate subsequence. We validate our method on the four-qubit Heisenberg model, demonstrating successfulconvergencetonear-groundstates. Throughsystematichyperparameterexploration, we identify optimal configurations: smaller model architectures (12 layers, 8 attention heads), longer sequence lengths (12 gates), and carefully chosen operator pools yield the most reliable convergence. Our results show that generative approaches can effectively navigate complex energy landscapes without relying on problem-specific symmetries or structure. This provides a scalable alternative to traditional variational methods for general quantum systems. An open-source implementation is available at https://github.com/Mindbeam-AI/SpinGQE.

We prove stability for a class of heterogeneous catalysis models in the L_p-setting. We consider a setting in a finite three-dimensional pore of cylinder-like geometry, with the lateral walls acting as a catalytic surface. Under a reasonable condition on the involved parameters, we show that given equilibria are normally stable, i.e. solutions are attracted at an exponential rate. The potential incidence of instability is discussed as well.

Generating the periodic structure of stable materials is a long-standing challenge for the material design community. This task is difficult because stable materials only exist in a low-dimensional subspace of all possible periodic arrangements of atoms: 1) the coordinates must lie in the local energy minimum defined by quantum mechanics, and 2) global stability also requires the structure to follow the complex, yet specific bonding preferences between different atom types. Existing methods fail to incorporate these factors and often lack proper invariances. We propose a Crystal Diffusion Variational Autoencoder (CDVAE) that captures the physical inductive bias of material stability. By learning from the data distribution of stable materials, the decoder generates materials in a diffusion process that moves atomic coordinates towards a lower energy state and updates atom types to satisfy bonding preferences between neighbors. Our model also explicitly encodes interactions across periodic boundaries and respects permutation, translation, rotation, and periodic invariances. We significantly outperform past methods in three tasks: 1) reconstructing the input structure, 2) generating valid, diverse, and realistic materials, and 3) generating materials that optimize a specific property. We also provide several standard datasets and evaluation metrics for the broader machine learning community.

We implement physics-informed neural networks (PINNs) to solve the time-independent Schr\"odinger equation for three canonical one-dimensional quantum potentials: an infinite square well, a finite square well, and a finite barrier. The PINN models incorporate trial wavefunctions that exactly satisfy boundary conditions (Dirichlet zeros at domain boundaries), and they optimize a loss functional combining the PDE residual with a normalization constraint. For the infinite well, the ground-state energy is known (E = pi^2 in dimensionless units) and held fixed in training, whereas for the finite well and barrier, the eigenenergy is treated as a trainable parameter. We use fully-connected neural networks with smooth activation functions to represent the wavefunction and demonstrate that PINNs can learn the ground-state eigenfunctions and eigenvalues for these quantum systems. The results show that the PINN-predicted wavefunctions closely match analytical solutions or expected behaviors, and the learned eigenenergies converge to known values. We present training logs and convergence of the energy parameter, as well as figures comparing the PINN solutions to exact results. The discussion addresses the performance of PINNs relative to traditional numerical methods, highlighting challenges such as convergence to the correct eigenvalue, sensitivity to initialization, and the difficulty of modeling discontinuous potentials. We also discuss the importance of the normalization term to resolve the scaling ambiguity of the wavefunction. Finally, we conclude that PINNs are a viable approach for quantum eigenvalue problems, and we outline future directions including extensions to higher-dimensional and time-dependent Schr\"odinger equations.

We address hallucination detection in Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) by framing the problem through the lens of dynamical systems stability theory. Rather than treating hallucination as a straightforward classification task, we conceptualize (M)LLMs as dynamical systems, where factual knowledge is represented by stable equilibrium points within the representation space. Our main insight is that hallucinations tend to arise at the boundaries of knowledge-transition regions separating stable and unstable zones. To capture this phenomenon, we propose Lyapunov Probes: lightweight networks trained with derivative-based stability constraints that enforce a monotonic decay in confidence under input perturbations. By performing systematic perturbation analysis and applying a two-stage training process, these probes reliably distinguish between stable factual regions and unstable, hallucination-prone regions. Experiments on diverse datasets and models demonstrate consistent improvements over existing baselines.

Standing as one of the most significant barriers to reaching quantum advantage, state-preparation fidelities on noisy intermediate-scale quantum processors suffer from quantum-gate errors, which accumulate over time. A potential remedy is pulse-based state preparation. We numerically investigate the minimal evolution times (METs) attainable by optimizing (microwave and exchange) pulses on silicon hardware. We investigate two state preparation tasks. First, we consider the preparation of molecular ground states and find the METs for H_2, HeH^+, and LiH to be 2.4 ns, 4.4 ns, and 27.2 ns, respectively. Second, we consider transitions between arbitrary states and find the METs for transitions between arbitrary four-qubit states to be below 50 ns. For comparison, connecting arbitrary two-qubit states via one- and two-qubit gates on the same silicon processor requires approximately 200 ns. This comparison indicates that pulse-based state preparation is likely to utilize the coherence times of silicon hardware more efficiently than gate-based state preparation. Finally, we quantify the effect of silicon device parameters on the MET. We show that increasing the maximal exchange amplitude from 10 MHz to 1 GHz accelerates the METs, e.g., for H_2 from 84.3 ns to 2.4 ns. This demonstrates the importance of fast exchange. We also show that increasing the maximal amplitude of the microwave drive from 884 kHz to 56.6 MHz shortens state transitions, e.g., for two-qubit states from 1000 ns to 25 ns. Our results bound both the state-preparation times for general quantum algorithms and the execution times of variational quantum algorithms with silicon spin qubits.

Benchmarks measure whether a model is correct. They do not measure whether a model is reliable. This distinction is largely academic for single-shot inference, but becomes critical for agentic AI systems, where a single rephrased prompt can trigger cascading failures in multi-step execution. Yet this form of instability is not captured by existing evaluations. Hallucinations live in variance: they arise when semantically equivalent prompts activate inconsistent internal pathways, producing divergent outputs. Consistent but incorrect outputs reflect bias or missing knowledge; confident guessing reflects calibration failure. Neither constitutes hallucination under this definition. When error is variance-dominated, reducing redundant pathways improves reliability without adding knowledge. We formalize this through Semantic Stability (SS), measured via Paraphrase Consistency (PC@k): generate k paraphrases, greedy decode each, compute mode agreement. SS is a diagnostic for variance-driven unreliability, not a method for improving correctness. We show that a dense Qwen3-0.6B agrees with itself only 23.8% of the time; at 32% sparsity, agreement jumps to 55.9%. A phase diagram reveals the sweet spot where variance reduction outpaces bias accumulation, and regimes where stability collapses onto wrong answers.

We investigate the two-dimensional frustrated quantum Heisenberg model with bond disorder on nearest-neighbor couplings using the recently introduced Foundation Neural-Network Quantum States framework, which enables accurate and efficient computation of disorder-averaged observables with a single variational optimization. Simulations on large lattices reveal an extended region of the phase diagram where long-range magnetic order vanishes in the thermodynamic limit, while the overlap order parameter, which characterizes quantum spin glass states, remains finite. These findings, supported by a semiclassical analysis based on a large-spin expansion, provide compelling evidence that the spin glass phase is stable against quantum fluctuations, unlike the classical case where it disappears at any finite temperature.

Thermodynamic properties of liquid water as well as hexagonal (Ih) and cubic (Ic) ice are predicted based on density functional theory at the hybrid-functional level, rigorously taking into account quantum nuclear motion, anharmonic fluctuations and proton disorder. This is made possible by combining advanced free energy methods and state-of-the-art machine learning techniques. The ab initio description leads to structural properties in excellent agreement with experiments, and reliable estimates of the melting points of light and heavy water. We observe that nuclear quantum effects contribute a crucial 0.2 meV/H_2O to the stability of ice Ih, making it more stable than ice Ic. Our computational approach is general and transferable, providing a comprehensive framework for quantitative predictions of ab initio thermodynamic properties using machine learning potentials as an intermediate step.

Modern artificial intelligence excels at statistical interpolation within seen manifolds but fundamentally fails at the exact reasoning required for theoretical physics and mathematics. We identify the "Float Wall" -- a catastrophic collapse of neural extrapolation at scales beyond 10^{16} -- caused by standard floating-point representation and linguistic tokenization (BPE). To resolve this, we introduce the Active Discoverer Framework, a digit-native neuro-symbolic architecture designed for invariant discovery. At its core is NumberNet, a Siamese Arithmetic Transformer that utilizes least-significant-bit (LSB) sequence encoding to achieve 0% precision loss and cosmic-scale extrapolation up to 10^{50}. To enforce physical grounding, we implement a Hamiltonian-based energy descent and Symmetry Grouping layer, ensuring the model respects Noether's theorem natively. The primary innovation is the Symbolic LaTeX Bottleneck: an active discovery loop where the model is forced to hypothesize unknown physical variables through an autoregressive LaTeX decoder. By reconciling numeric "hallucinations" with structurally valid mathematical expressions, the framework ensures that any discovered physics is parsimonious and human-interpretable. We evaluate this system against a 30-billion scale benchmark and the Universal Physics Pantheon, featuring 50 "Chaos Mode" systemic perturbations. Our results demonstrate that while traditional GBDT and LLM-based architectures collapse at cosmic scales, the Active Discoverer autonomously deduces universal constants such as the Gravitational Constant (G) with high fidelity. This framework establishes a path toward zero-hallucination artificial intelligence and truly autonomous scientific research agents.

This work provides a nonasymptotic error analysis of quantum Krylov algorithms based on real-time evolutions, subject to generic errors in the outputs of the quantum circuits. We prove upper and lower bounds on the resulting ground state energy estimates, and the error associated to the upper bound is linear in the input error rates. This resolves a misalignment between known numerics, which exhibit approximately linear error scaling, and prior theoretical analysis, which only provably obtained scaling with the error rate to the power 2{3}. Our main technique is to express generic errors in terms of an effective target Hamiltonian studied in an effective Krylov space. These results provide a theoretical framework for understanding the main features of quantum Krylov errors.

Recent work suggests that (stochastic) gradient descent self-organizes near an instability boundary, shaping both optimization and the solutions found. Momentum and mini-batch gradients are widely used in practical deep learning optimization, but it remains unclear whether they operate in a comparable regime of instability. We demonstrate that SGD with momentum exhibits an Edge of Stochastic Stability (EoSS)-like regime with batch-size-dependent behavior that cannot be explained by a single momentum-adjusted stability threshold. Batch Sharpness (the expected directional mini-batch curvature) stabilizes in two distinct regimes: at small batch sizes it converges to a lower plateau 2(1-β)/η, reflecting amplification of stochastic fluctuations by momentum and favoring flatter regions than vanilla SGD; at large batch sizes it converges to a higher plateau 2(1+β)/η, where momentum recovers its classical stabilizing effect and favors sharper regions consistent with full-batch dynamics. We further show that this aligns with linear stability thresholds and discuss the implications for hyperparameter tuning and coupling.

We obtain the numerical ground state of a one-dimensional ladder model with the upper and lower chains occupied by spatially-separated electrons and holes, respectively. Under charge neutrality, we find that the excitonic bound states are always formed, i.e., no finite regime of decoupled electron and hole plasma exists at zero temperature. The system either behaves like a bosonic liquid or a bosonic crystal depending on the inter-chain attractive and intra-chain repulsive interaction strengths. We also provide the detailed excitonic phase diagrams in the intra- and inter-chain interaction parameters, with and without disorder. We also comment on the corresponding two-dimensional electron-hole bilayer exciton condensation.

Reasoning failures in large language models (LLMs) are typically measured only at the end of a generation, yet many failures manifest as a process-level breakdown: the model "loses the thread" mid-reasoning. We study whether such breakdowns are detectable from inference-time observables available in standard APIs (token log probabilities), without any training or fine-tuning. We define a simple instability signal that combines consecutive-step distributional shift (JSD) and uncertainty (entropy), summarize each trace by its peak instability strength, and show that this signal reliably predicts failure. Across GSM8K and HotpotQA, instability strength predicts wrong answers with above-chance AUC and yields monotonic bucket-level accuracy decline at scale across model sizes. Crucially, we show that instability is not uniformly harmful: early instability can reflect subsequent stabilization and a correct final answer (corrective instability), whereas late instability is more often followed by failure (destructive instability), even at comparable peak magnitudes, indicating that recoverability depends not only on how strongly the distribution changes but also on when such changes occur relative to the remaining decoding horizon. The method is model-agnostic, training-free, and reproducible, and is presented as a diagnostic lens rather than a corrective or control mechanism.

Quantum simulation of many-body systems in materials science and chemistry are promising application areas for quantum computers. However, the limited scale and coherence of near-term quantum processors pose a significant obstacle to realizing this potential. Here, we theoretically outline how a single-circuit quantum electrodynamics (cQED) device, consisting of a transmon qubit coupled to a long-lived cavity mode, can be used to simulate the ground state of a highly-entangled quantum many-body spin chain. We exploit recently developed methods for implementing quantum operations to sequentially build up a matrix product state (MPS) representation of a many-body state. This approach re-uses the transmon qubit to read out the state of each spin in the chain and exploits the large state space of the cavity as a quantum memory encoding inter-site correlations and entanglement. We show, through simulation, that analog (pulse-level) control schemes can accurately prepare a known MPS representation of a quantum critical spin chain in significantly less time than digital (gate-based) methods, thereby reducing the exposure to decoherence. We then explore this analog-control approach for the variational preparation of an unknown ground state. We demonstrate that the large state space of the cavity can be used to replace multiple qubits in a qubit-only architecture, and could therefore simplify the design of quantum processors for materials simulation. We explore the practical limitations of realistic noise and decoherence and discuss avenues for scaling this approach to more complex problems that challenge classical computational methods.

Ultra-stable glasses prepared from the physical vapor deposition of organic molecules present a very low density of two-level states, the kind of glass defects that determine their peculiar low temperature thermal properties. Numerical simulations suggest that quasi-localized harmonic vibrational modes emerge in the soft regions associated with two-level states. However, the connection between the low frequency vibrational modes and the local structural instabilities of glasses remains unexplained. Here we exploit a recently developed spectrograph for nuclear resonant analysis of inelastic X-ray scattering to probe the density of vibrational states of amorphous thin films of ultra-stable and conventional glasses down to an exceptionally low frequency of sim 70 GHz. We show that the glass stability does not affect the harmonic vibrational modes at the lowest frequencies, despite a reduction of almost an order of magnitude in the density of two-level states. At the same time, the vibrational modes at higher frequencies, around the boson peak maximum, are extremely sensitive to the glass stability. Although we cannot exclude the possible existence of quasi-localized modes in glasses, we show that their presence is not strictly necessary to describe the measured density of low frequency vibrations. The experimental developments here presented pave the way to the solution to the long-standing debate on the low frequency vibrations in glasses.

In this work, we introduce PhononBench, the first large-scale benchmark for dynamical stability in AI-generated crystals. Leveraging the recently developed MatterSim interatomic potential, which achieves DFT-level accuracy in phonon predictions across more than 10,000 materials, PhononBench enables efficient large-scale phonon calculations and dynamical-stability analysis for 108,843 crystal structures generated by six leading crystal generation models. PhononBench reveals a widespread limitation of current generative models in ensuring dynamical stability: the average dynamical-stability rate across all generated structures is only 25.83%, with the top-performing model, MatterGen, reaching just 41.0%. Further case studies show that in property-targeted generation-illustrated here by band-gap conditioning with MatterGen--the dynamical-stability rate remains as low as 23.5% even at the optimal band-gap condition of 0.5 eV. In space-group-controlled generation, higher-symmetry crystals exhibit better stability (e.g., cubic systems achieve rates up to 49.2%), yet the average stability across all controlled generations is still only 34.4%. An important additional outcome of this study is the identification of 28,119 crystal structures that are phonon-stable across the entire Brillouin zone, providing a substantial pool of reliable candidates for future materials exploration. By establishing the first large-scale dynamical-stability benchmark, this work systematically highlights the current limitations of crystal generation models and offers essential evaluation criteria and guidance for their future development toward the design and discovery of physically viable materials. All model-generated crystal structures, phonon calculation results, and the high-throughput evaluation workflows developed in PhononBench will be openly released at https://github.com/xqh19970407/PhononBench

Ferrofluids show unusual hydrodynamic effects due to the magnetic nature of their constituents. For increasing magnetization a classical ferrofluid undergoes a Rosensweig instability and creates self-organized ordered surface structures or droplet crystals. A Bose-Einstein condensate with strong dipolar interactions is a quantum ferrofluid that also shows superfluidity. The field of dipolar quantum gases is motivated by the search for new phases that break continuous symmetries. The simultaneous breaking of continuous symmetries like the phase invariance for the superfluid state and the translational symmetry for a crystal provides the basis of novel states of matter. However, interaction-induced crystallization in a superfluid has not been observed. Here we use in situ imaging to directly observe the spontaneous transition from an unstructured superfluid to an ordered arrangement of droplets in an atomic dysprosium Bose-Einstein condensate. By utilizing a Feshbach resonance to control the interparticle interactions, we induce a finite-wavelength instability and observe discrete droplets in a triangular structure, growing with increasing atom number. We find that these states are surprisingly long-lived and measure a hysteretic behaviour, which is typical for a crystallization process and in close analogy to the Rosensweig instability. Our system can show both superfluidity and, as shown here, spontaneous translational symmetry breaking. The presented observations do not probe superfluidity in the structured states, but if the droplets establish a common phase via weak links, this system is a very good candidate for a supersolid ground state.

Dislocation model of the supersolid state of ^4He was proposed in 1987 by one of the authors of the review. The model obtained strong support by numerous experimental and theoretical investigations from 2007 to date. In these investigations the validity of the idea put forward in 1987 was confirmed, and new conceptions of superclimb of dislocations and of the giant isochoric compressibility or the syringe effect were proposed. In this paper we review main achievements of theoretical and experimental studies of dislocation-induced supersolid and present current understanding of this phenomenon.

The ground-state energy, electron density, and related properties of ordinary matter can be computed efficiently when the exchange-correlation energy as a functional of the density is approximated semilocally. We propose the first meta-GGA (meta-generalized gradient approximation) that is fully constrained, obeying all 17 known exact constraints that a meta-GGA can. It is also exact or nearly exact for a set of appropriate norms, including rare-gas atoms and nonbonded interactions. This SCAN (strongly constrained and appropriately normed) meta-GGA achieves remarkable accuracy for systems where the exact exchange-correlation hole is localized near its electron, and especially for lattice constants and weak interactions.

Water looks unchanged as it warms, then at a critical point it boils. We ask whether long-horizon language agents show an analogous transition in their implicit world models. In some parameter settings, changing state load by a small amount, or adding a single step of horizon, leaves behavior nearly unchanged; near a critical boundary, the same small change causes a sudden world collapse. We study this effect in a deterministic task family with exact per-step gold state. A large grid search over state cardinality, dependency density, horizon, branching, observation mode, and mutation rate reveals a phase diagram: a solved plateau, a narrow transition band, and a collapse floor. Per-step traces show the mechanism: world-state fidelity fails before action validity, so the agent is not merely choosing a bad action; it is acting from a corrupted world. Stronger models translate the critical boundary but do not remove the qualitative transition. These results make world-model collapse a measurable bottleneck for long-horizon agents.

Live sports commentary is grounded generation under a deadline: statements concern real, named athletes, the grounding state changes every few seconds, and no reference text exists at generation time. We present Pitwall, a production system that generates natural-language Formula 1 strategy briefings in English, Spanish, and Portuguese, treating faithfulness as an architectural property rather than an aspiration: every published sentence is decomposed into typed factual claims (positions, gaps, tyres, pace, overtakes, race control) and each claim is verified against the probabilistic race state that prompted it. The same verifier gates the fine-tuning data: of 3,045 model-written targets, only the 81.9% whose every claim is state-supported are retained, the rest falling back to a provably faithful template, so the generator never sees an ungrounded target. Verification is meaningful because of the grounding substrate: a vectorized Monte Carlo engine (N=2,000 per-lap race continuations) calibrated on 126 races (2018-2024) and validated on fully held-out 2025-2026 seasons (winner-in-top-3 90.3% over 155 backtests; held-out Brier 0.0745). A recurring finding spans both halves of the system: virtues trade off and must be gated separately. In simulation, calibration-optimal is not decision-optimal; in generation, fine-tuning on richer targets buys vividness that collapses into hallucination when the grounding state is sparse -- a failure a four-base replication traces to base-model instruction adherence, not scale, and that sparse-context auditing removes from the production model. End-to-end operation -- live timing to verified trilingual briefings -- was confirmed at two consecutive live Grands Prix (Austria and Britain, 2026); at Silverstone a timestamped probability trace, committed to disk before the outcome was known, locked onto the eventual winner ten laps before the flag.

Auger electron spectroscopy, a way of characterizing electronic structure through core-level decay processes, is widely used in materials characterization; however direct calculation from molecular geometry requires accurate treatment of many excited states, posing a challenge for classical methods. We present a hybrid quantum-classical workflow for calculating Auger spectra that combines the generative quantum eigensolver (GQE) for ground-state preparation, the quantum self-consistent equation-of-motion method for excited-state calculations, and the one-centre approximation for Auger transition rates. GQE uses a GPT-2 model to generate quantum circuits for ground-state optimization, allowing our workflow to benefit from HPC parallelization and GPU-acceleration for favourable scaling with system size. We demonstrate the validity of our workflow by calculating the Auger spectrum of water with the STO-3G basis set and demonstrating qualitative and quantitative agreement with spectra obtained using completely classical full configuration interaction calculations, from the computational literature, and from the experimental literature. We also find that for water, substituting the variational quantum eigensolver (VQE) for GQE results in near-identical spectra, but that the ground state estimator generated by GQE contains about half the total gate count as that generated by VQE.

The mobility edge (ME) is a critical energy delineates the boundary between extended and localized states within the energy spectrum, and it plays a crucial role in understanding the metal-insulator transition in disordered or quasiperiodic systems. While there have been extensive studies on MEs in one-dimensional non-Hermitian (NH) quasiperiodic lattices recently, the investigation of exact NH MEs in two-dimensional (2D) cases remains rare. In the present study, we introduce a 2D dissipative Lieb lattice (DLL) model with imaginary quasiperiodic potentials applied solely to the vertices of the Lieb lattice. By mapping this DLL model to the 2D NH Aubry-Andr{é}-Harper (AAH) model, we analytically derive the exact ME and find it associated with the absolute eigenenergies. We find that the eigenvalues of extended states are purely imaginary when the quasiperiodic potential is strong enough. Additionally, we demonstrate that the introduction of imaginary quasiperiodic potentials does not disrupt the flat bands inherent in the system. Finally, we propose a theoretical framework for realizing our model using the Lindblad master equation. Our results pave the way for further investigation of exact NH MEs and flat bands in 2D dissipative quasiperiodic systems.

The Shannon entropy in the atomic, molecular and chemical physics context is presented by using as test cases the hydrogenic-like atoms H_c, {He_c}^+ and {Li_c}^{2+} confined by an impenetrable spherical box. Novel expressions for entropic uncertainty relation and Shannon entropies S_r and S_p are proposed to ensure their physical dimensionless characteristic. The electronic ground state energy and the quantities S_r, S_p and S_t are calculated for the hydrogenic-like atoms to different confinement radii by using a variational method. The global behavior of these quantities and different conjectures are analyzed. The results are compared, when available, with those previously published.

This study examines the performance of finite spin quantum batteries (QBs) using Heisenberg spin models with Dzyaloshinsky-Moriya (DM) and Kaplan--Shekhtman--Entin-Wohlman--Aharony (KSEA) interactions. The QBs are modeled as interacting quantum spins in local inhomogeneous magnetic fields, inducing variable Zeeman splitting. We derive analytical expressions for the maximal extractable work, ergotropy and the capacity of QBs, as recently examined by Yang et al. [Phys. Rev. Lett. 131, 030402 (2023)]. These quantities are analytically linked through certain quantum correlations, as posited in the aforementioned study. Different Heisenberg spin chain models exhibit distinct behaviors under varying conditions, emphasizing the importance of model selection for optimizing QB performance. In antiferromagnetic (AFM) systems, maximum ergotropy occurs with a Zeeman splitting field applied to either spin, while ferromagnetic (FM) systems benefit from a uniform Zeeman field. Temperature significantly impacts QB performance, with ergotropy in the AFM case being generally more robust against temperature increases compared to the FM case. Incorporating DM and KSEA couplings can significantly enhance the capacity and ergotropy extraction of QBs. However, there exists a threshold beyond which additional increases in these interactions cause a sharp decline in capacity and ergotropy. This behavior is influenced by temperature and quantum coherence, which signal the occurrence of a sudden phase transition. The resource theory of quantum coherence proposed by Baumgratz et al. [Phys. Rev. Lett. 113, 140401 (2014)] plays a crucial role in enhancing ergotropy and capacity. However, ergotropy is limited by both the system's capacity and the amount of coherence. These findings support the theoretical framework of spin-based QBs and may benefit future research on quantum energy storage devices.

We explore a minimal scenario where the sole Standard-Model Higgs is responsible for reheating the Universe after inflation, produces a significant background of gravitational waves and maintains the full classical stability of the electroweak vacuum. As the Higgs self-coupling runs toward negative values at high energy scales, a non-minimal interaction with curvature during a stiff background expansion era drives the Higgs fluctuations closer to the instability scale. This curvature-induced tachyonic instability leads to an intense production of Higgs particles, accompanied by a stochastic gravitational-wave background. The characteristic features of such signal can be directly correlated to the inflationary scale, the non-minimal coupling parameter and the top quark Yukawa coupling. We distinguish between three possible scenarios: absolute stability with low top quark masses, potential vacuum instability, and absolute stability with new physics above the instability scale. Our findings suggest that the detection of a peaked background of gravitational waves together with its inflationary tail has the potential to unveil the features of the Higgs effective potential at very high energy scales while providing a minimal explanation for the reheating phase and the emergence of the Standard-Model plasma in the early Universe. Unlike other studies in the literature, the generation of gravitational waves in our scenario does not depend on the quantum instability of the Standard Model vacuum.

We investigate the stability of superconducting strings as bound states of strings and fermion zero modes at both the classical and quantum levels. The dynamics of these superconducting strings can result in a stable configuration, known as a vorton. We mainly focus on global strings, but the majority of the discussion can be applied to local strings. Using lattice simulations, we study the classical dynamics of superconducting strings and confirm that they relax to the vorton configuration through Nambu-Goldstone boson radiation, with no evidence of over-shooting that would destabilize the vorton. We explore the tunneling of fermion zero modes out of the strings. Both our classical analysis and quantum calculations yield consistent results: the maximum energy of the zero mode significantly exceeds the fermion mass, in contrast to previous literature. Additionally, we introduce a world-sheet formalism to evaluate the decay rate of zero modes into other particles, which constitute the dominant decay channel. We also identify additional processes that trigger zero-mode decay due to non-adiabatic changes of the string configuration. In these decay processes, the rates are suppressed by the curvature of string loops, with exponential suppression for large masses of the final states. We further study the scattering with light charged particles surrounding the string core produced by the zero-mode current and find that a wide zero-mode wavefunction can enhance vorton stability.

In this paper, we examine the thermodynamic behavior of a quantum harmonic oscillator with a position-dependent mass (PDM), where spatial inhomogeneity is modeled through a deformation parameter α. Based on the exact energy spectrum, we explore the resulting thermodynamic quantities and superstatistics. Our findings reveal that increasing α leads to a decrease in entropy and specific heat, reflecting a confinement-induced reduction in the number of accessible states. The partition function and free energy exhibit smooth behavior across all parameter regimes, indicating the absence of critical phase transitions. This study underscores the influence of mass deformation on quantum thermal responses and demonstrates that, while the overall thermodynamic trends are consistent with those reported in the literature, certain distinctive features emerge due to the specific form of the deformation.

In geometrically frustrated magnetic systems, weak interactions or slight changes to the structure can tip the delicate balance of exchange interactions, sending the system into a different ground state. Brochantite, Cu_4SO_4(OH)_6, has a copper sublattice composed of distorted triangles, making it a likely host for frustrated magnetism, but exhibits stacking disorder. The lack of synthetic single crystals has limited research on the magnetism in brochantite to powders and natural mineral crystals. We grew crystals which we find to be a new polytype with a tendency toward ABAC stacking and some anion disorder, alongside the expected stacking disorder. Comparison to previous results on natural mineral specimens suggests that cation disorder is more deleterious to the magnetism than anion and stacking disorder. Our specific heat data suggest a double transition on cooling into the magnetically ordered state.

In this paper, we explore the overlooked challenge of stability and temporal consistency in interactive video generation, which synthesizes dynamic and controllable video worlds through interactive behaviors such as camera movements and text prompts. Despite remarkable progress in world modeling, current methods still suffer from severe instability and temporal degradation, often leading to spatial drift and scene collapse during long-horizon interactions. To better understand this issue, we initially investigate the underlying causes of instability and identify that the major source of error accumulation originates from the same scene, where generated frames gradually deviate from the initial clean state and propagate errors to subsequent frames. Building upon this observation, we propose a simple yet effective method, StableWorld, a Dynamic Frame Eviction Mechanism. By continuously filtering out degraded frames while retaining geometrically consistent ones, StableWorld effectively prevents cumulative drift at its source, leading to more stable and temporal consistency of interactive generation. Promising results on multiple interactive video models, \eg, Matrix-Game, Open-Oasis, and Hunyuan-GameCraft, demonstrate that StableWorld is model-agnostic and can be applied to different interactive video generation frameworks to substantially improve stability, temporal consistency, and generalization across diverse interactive scenarios.

Falling is an inherent risk of humanoid mobility. Maintaining stability is thus a primary safety focus in robot control and learning, yet no existing approach fully averts loss of balance. When instability does occur, prior work addresses only isolated aspects of falling: avoiding falls, choreographing a controlled descent, or standing up afterward. Consequently, humanoid robots lack integrated strategies for impact mitigation and prompt recovery when real falls defy these scripts. We aim to go beyond keeping balance to make the entire fall-and-recovery process safe and autonomous: prevent falls when possible, reduce impact when unavoidable, and stand up when fallen. By fusing sparse human demonstrations with reinforcement learning and an adaptive diffusion-based memory of safe reactions, we learn adaptive whole-body behaviors that unify fall prevention, impact mitigation, and rapid recovery in one policy. Experiments in simulation and on a Unitree G1 demonstrate robust sim-to-real transfer, lower impact forces, and consistently fast recovery across diverse disturbances, pointing towards safer, more resilient humanoids in real environments. Videos are available at https://firm2025.github.io/.

The amplitude of ground state superconducting energy gap Δ(0) and relative jump in electronic specific heat at the transition temperature, ΔC{/}γT_c, are primary fundamental parameters of any superconductor. There are several well-established techniques to measure these values for bulk samples. However, there is limited number of techniques which can be applied to measure these parameters in atomically thin superconductors. Here we proposed a new approach to extract Δ(0) and ΔC{/}γT_c in atomically thin superconductors by utilizing perpendicular, Bc2,perp(T) (when magnetic field is applied in perpendicular direction to the film surface), and parallel, Bc2,||(T) (when magnetic field is applied in parallel direction to the film surface), upper critical field data. Deduced parameters for few layers thick Al, Sn, NbSe2, MoS2, magic angle twisted trilayer graphene (MATTG), and WTe2 are well matched values expected for strong- and moderately strong-coupled electron-phonon mediated superconductors. Observed, in many atomically thin superconductors, an enhancement of Bc2,||(0) above the Pauli-Clogston-Chandrasekhar limiting field (i.e., magnetic field required to break the Cooper pair) is explained based on the sample geometry, without an assumption that some exotic pairing mechanism, for instance, Ising-type, is emergent in these materials.

Machine-learned interatomic potentials are revolutionising atomistic materials simulations by providing accurate and scalable predictions within the scope covered by the training data. However, generation of an accurate and robust training data set remains a challenge, often requiring thousands of first-principles calculations to achieve high accuracy. Foundation models have started to emerge with the ambition to create universally applicable potentials across a wide range of materials. While foundation models can be robust and transferable, they do not yet achieve the accuracy required to predict reaction barriers, phase transitions, and material stability. This work demonstrates that foundation model potentials can reach chemical accuracy when fine-tuned using transfer learning with partially frozen weights and biases. For two challenging datasets on reactive chemistry at surfaces and stability and elastic properties of tertiary alloys, we show that frozen transfer learning with 10-20% of the data (hundreds of datapoints) achieves similar accuracies to models trained from scratch (on thousands of datapoints). Moreover, we show that an equally accurate, but significantly more efficient surrogate model can be built using the transfer learned potential as the ground truth. In combination, we present a simulation workflow for machine learning potentials that improves data efficiency and computational efficiency.

Sparse autoencoders (SAEs) are widely used to interpret neural network representations, but their utility depends on whether the learned features are reproducible across training runs. We study this question through feature stability: for each SAE feature, we estimate the probability that a similar feature reappears in an independently trained SAE. This yields a scalable per-feature signal that separates stable from unstable features. In a large-scale study across seeds, models, layers, dictionary sizes, and SAE variants, we find a pronounced functional asymmetry: stable features carry most of the reconstruction- and prediction-relevant signal, while unstable features have weak marginal impact and are dominated by low-frequency surface-form triggers in both activation statistics and automatic explanations. Geometrically, unstable features are individually non-reproducible but concentrate in reproducible lower-rank subspaces, suggesting that seed dependence often reflects basis ambiguity within a shared region of activation space rather than pure noise. A controlled synthetic model makes this mechanism explicit, showing that low-rank ground-truth features can be recovered at the subspace level while remaining non-identifiable as individual SAE latents across seeds. Finally, by pooling unique cross-seed features, we construct more stable SAEs while preserving explained variance in this setting. Together, these results show that unstable features are not merely failed or noisy latents: they have weak individual functional impact, but reflect reproducible low-dimensional structure that standard SAEs resolve differently across seeds.

From the dynamics of a broad class of classical mean-field glass models one may obtain a quantum model with finite zero-temperature entropy, a quantum transition at zero temperature, and a time-reparametrization (quasi-)invariance in the dynamical equations for correlations. The low eigenvalue spectrum of the resulting quantum model is directly related to the structure and exploration of metastable states in the landscape of the original classical glass model. This mapping reveals deep connections between classical glasses and the properties of SYK-like models.

The independent atom ansatz of density functional theory yields an accurate analytical expression for dynamic correlation energy in the H_{2} molecule: E_{c} = 0.5(1 - 2)(ab|ba) for the atom-additive self-consistent density rho = |a|^{2} + |b|^{2}. Combined with exact atomic self-exchange, it recovers more than 99.5 % of nearly exact SCAN exchange-correlation energy at R > 0.5 A, differing by less than 0.12 eV. The total energy functional correctly dissociates the H-H bond and yields absolute errors of 0.002 A, 0.19 eV, and 13 cm^{-1} relative to experiment at the tight binding computational cost. The chemical bond formation is attributed to the asymptotic Heitler-London resonance of quasi-orthogonal atomic states (- (ab|ba)) with no contributions from kinetic energy or charge accumulation in the bond.

Real-time interaction models -- Moshi, MiniCPM-o, Qwen-Omni -- turn serving into a periodic real-time task: on every frame a session ingests streaming audio and must respond by a recurring wall-clock deadline, while its KV cache grows monotonically and stays pinned for the whole conversation. This regime hides a dangerous failure mode. On a real full-duplex stack, sustained load does not degrade serving gracefully: it falls off a cliff, jumping in one step from milliseconds per frame to a stalled engine when accumulated session state exhausts the KV pool. The collapse is metastable -- identical five-minute runs collapse or survive on run-to-run variance -- and silent: latency and deadline-miss metrics read healthy throughout. We show one move restores both stability and observability: bound each session's resident state, and latency starts telling the truth. Metronome's in-engine KV window eliminates the collapse (0/20 vs. 14/20 runs across two batches) and turns per-frame latency into a monotone load signal, on which an online admission controller discovers the schedulable concurrency; without the window, the identical controller over-admits into the wall. A first-order model predicts the collapse time within a few percent on the headline model, and a quality probe validates the bound's design by ablation: the window alone is quality-free in turn-based decoding, and its few pinned attention-sink tokens are what keep free-running generation healthy. Everything is measured end-to-end on real audio, across four interaction models on one GPU.

We study the statistics of the local resolvent and non-ergodic properties of eigenvectors for a generalised Rosenzweig-Porter Ntimes N random matrix model, undergoing two transitions separated by a delocalised non-ergodic phase. Interpreting the model as the combination of on-site random energies {a_i} and a structurally disordered hopping, we found that each eigenstate is delocalised over N^{2-gamma} sites close in energy |a_j-a_i|leq N^{1-gamma} in agreement with Kravtsov et al, arXiv:1508.01714. Our other main result, obtained combining a recurrence relation for the resolvent matrix with insights from Dyson's Brownian motion, is to show that the properties of the non-ergodic delocalised phase can be probed studying the statistics of the local resolvent in a non-standard scaling limit.

We characterize the pre-softmax attention matrix QK^top in transformers as an associative memory matrix encoding pairwise associations between input features. By decomposing this matrix into its symmetric and skew-symmetric parts, we interpret the symmetric component as governing the structure of the energy landscape, and the skew-symmetric component as driving circulation on that landscape. Leveraging the energy formulation induced by the symmetric component, we derive Hopfield-style stability measures that quantify the stability of retrieved features. We observe meaningful correlations between Hopfield-style stability measures and the fidelity-diversity trade-offs in generation. Finally, we propose a controllable knob to modulate this trade-off by modifying the circulation of the underlying dynamics. Code is available at our GitHub (https://github.com/hyeon-cho/Attention-Symmetric-Decomposition).

The demand for safe, high-energy-density batteries has spotlighted halide solid-state electrolytes, which offer the potential for enhanced ionic mobility, electrochemical stability, and interfacial deformability. Accelerating their discovery requires extensive molecular dynamics, which has been increasingly enabled by universal machine learning interatomic potentials trained on foundational datasets. However, the dynamic softness of halides poses a stringent test of whether general-purpose models can reliably replace first-principles calculations under the highly distorted, elevated-temperature regimes necessary to probe ion transport. Here, we present AQVolt26, a dataset of 322,656 r^2SCAN single-point calculations for lithium halides, generated via high-temperature configurational sampling across sim5K structures. We demonstrate that foundational datasets provide a strong baseline for stable halide chemistries and transfer local forces well, however absolute energy predictions degrade in distorted higher-temperature regimes. Co-training with AQVolt26 resolves this blind spot. Furthermore, incorporating Materials Project relaxation data improves near-equilibrium performance but degrades extreme-strain robustness without enhancing high-temperature force accuracy. These results demonstrate that domain-specific configurational sampling is essential for the reliable dynamic screening of halide electrolytes. Furthermore, our findings suggest that while foundational models provide a robust base, they are most effective for dynamically soft solid-state chemistries when augmented with targeted, high-temperature data. Finally, we show that near-equilibrium relaxation data serves as a task-specific complement rather than a universally beneficial addition.

We introduce the framework of model space into quantum imaginary time evolution (QITE) to enable stable estimation of ground and excited states using a quantum computer. Model-space QITE (MSQITE) propagates a model space to the exact one by retaining its orthogonality, and hence is able to describe multiple states simultaneously. The quantum Lanczos (QLanczos) algorithm is extended to MSQITE to accelerate the convergence. The present scheme is found to outperform both the standard QLanczos and the recently proposed folded-spectrum QITE in simulating excited states. Moreover, we demonstrate that spin contamination can be effectively removed by shifting the imaginary time propagator, and thus excited states with a particular spin quantum number are efficiently captured without falling into the different spin states that have lower energies. We also investigate how different levels of the unitary approximation employed in MSQITE can affect the results. The effectiveness of the algorithm over QITE is demonstrated by noise simulations for the H4 model system.

We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen Cooper Schrieffer inspired pre-screening of 1736 materials with high Debye temperature and electronic density of states. Next, we perform electron-phonon coupling calculations for 1058 of them to establish a large and systematic database of BCS superconducting properties. Using the McMillan-Allen-Dynes formula, we identify 105 dynamically stable materials with transition temperatures, Tc>5 K. Additionally, we analyze trends in our dataset and individual materials including MoN, VC, VTe, KB6, Ru3NbC, V3Pt, ScN, LaN2, RuO2, and TaC. We demonstrate that deep-learning(DL) models can predict superconductor properties faster than direct first principles computations. Notably, we find that by predicting the Eliashberg function as an intermediate quantity, we can improve model performance versus a direct DL prediction of Tc. We apply the trained models on the crystallographic open database and pre-screen candidates for further DFT calculations.

We theoretically identify the noise-induced coherent contribution to the ergotropy of a four-level quantum heat engine coupled to a unimodal quantum cavity. We utilize a protocol where the passive state's quasiprobabilities can be analytically identified from the population-coherence coupled reduced density matrix. The reduced density matrix elements are evaluated using a microscopic quantum master equation formalism. Multiple ergotropies within the same coherence interval, each characterized by a positive and pronounced coherent contribution, are observed. These ergotropies are a result of population inversion as well as quasiprobability-population inversion, controllable through the coherence measure parameters. The optimal flux and power of the engine are found to be at moderate values of ergotropy with increasing values of noise-induced coherence. The optimal power at different coherences is found to possess a constant ergotropy.

Building reliable computer-use agents requires grounding: accurately connecting natural language instructions to the correct on-screen elements. While large datasets exist for web and mobile interactions, high-quality resources for desktop environments are limited. To address this gap, we introduce GroundCUA, a large-scale desktop grounding dataset built from expert human demonstrations. It covers 87 applications across 12 categories and includes 56K screenshots, with every on-screen element carefully annotated for a total of over 3.56M human-verified annotations. From these demonstrations, we generate diverse instructions that capture a wide range of real-world tasks, providing high-quality data for model training. Using GroundCUA, we develop the GroundNext family of models that map instructions to their target UI elements. At both 3B and 7B scales, GroundNext achieves state-of-the-art results across five benchmarks using supervised fine-tuning, while requiring less than one-tenth the training data of prior work. Reinforcement learning post-training further improves performance, and when evaluated in an agentic setting on the OSWorld benchmark using o3 as planner, GroundNext attains comparable or superior results to models trained with substantially more data,. These results demonstrate the critical role of high-quality, expert-driven datasets in advancing general-purpose computer-use agents.

The decay of metastable 'false vacuum' states via bubble nucleation plays a crucial role in many cosmological scenarios. Cold-atom analog experiments will soon provide the first empirical probes of this process, with potentially far-reaching implications for early-Universe cosmology and high-energy physics. However, an inevitable difference between these analog systems and the early Universe is that the former have a boundary. We show, using a combination of Euclidean calculations and real-time lattice simulations, that these boundaries generically cause rapid bubble nucleation on the edge of the experiment, obscuring the bulk nucleation that is relevant for cosmology. We demonstrate that implementing a high-density 'trench' region at the boundary completely eliminates this problem, and recovers the desired cosmological behavior. Our findings are relevant for ongoing efforts to probe vacuum decay in the laboratory, providing a practical solution to a key experimental obstacle.

We study the effects of a superconducting condensate on holographic Fermi surfaces. With a suitable coupling between the fermion and the condensate, there are stable quasiparticles with a gap. We find some similarities with the phenomenology of the cuprates: in systems whose normal state is a non-Fermi liquid with no stable quasiparticles, a stable quasiparticle peak appears in the condensed phase.

World models are increasingly regarded as a decisive step toward artificial general intelligence, yet modeling the physical world demands more than rendering convincing frames on demand: it requires an internal world state that keeps evolving over time, decoupled from observation, so that objects endure and events run to their conclusions whether or not a camera is watching, much as the moon holds to its orbit when no one is looking. This requirement is a blind spot of existing benchmarks, which reward surface properties such as fidelity, motion, and camera controllability while never asking whether a generated world keeps evolving once it is unobserved. We introduce WRBench, the first systematic diagnostic benchmark that treats camera motion as an intervention on observability and resolves evaluation into a human-calibrated chain that asks whether the camera executes the requested interaction, whether the scene stays continuous and identifiable while in view, and whether a returning target remains consistent with the event that was set in motion. Across 9{,}600 videos from 23 models spanning four control paradigms, one finding proves stubborn: current systems maintain the observed world as a tracking shot, resuming a returning target in the state at which it was abandoned rather than advancing the event while it went unseen. Because this failure recurs across control paradigms, model families, and increments of scale, robust world-state evolution does not follow from cleaner imagery, tighter control, richer geometric priors, or sheer parameter count We therefore argue that the stability of the physical state kernel and the consistency of worldlines under viewpoint intervention should become first-class objectives of world-model design, so that a world model captures how the world will unfold rather than how the next frame appears.

There is an emerging interest in generating robust counterfactual explanations that would remain valid if the model is updated or changed even slightly. Towards finding robust counterfactuals, existing literature often assumes that the original model m and the new model M are bounded in the parameter space, i.e., |Params(M){-}Params(m)|{<}Delta. However, models can often change significantly in the parameter space with little to no change in their predictions or accuracy on the given dataset. In this work, we introduce a mathematical abstraction termed naturally-occurring model change, which allows for arbitrary changes in the parameter space such that the change in predictions on points that lie on the data manifold is limited. Next, we propose a measure -- that we call Stability -- to quantify the robustness of counterfactuals to potential model changes for differentiable models, e.g., neural networks. Our main contribution is to show that counterfactuals with sufficiently high value of Stability as defined by our measure will remain valid after potential ``naturally-occurring'' model changes with high probability (leveraging concentration bounds for Lipschitz function of independent Gaussians). Since our quantification depends on the local Lipschitz constant around a data point which is not always available, we also examine practical relaxations of our proposed measure and demonstrate experimentally how they can be incorporated to find robust counterfactuals for neural networks that are close, realistic, and remain valid after potential model changes.

GUI grounding, which translates natural language instructions into precise pixel coordinates, is essential for developing practical GUI agents. However, we observe that existing grounding models exhibit significant coordinate prediction instability, minor visual perturbations (e.g. cropping a few pixels) can drastically alter predictions, flipping results between correct and incorrect. This instability severely undermines model performance, especially for samples with high-resolution and small UI elements. To address this issue, we propose Multi-View Prediction (MVP), a training-free framework that enhances grounding performance through multi-view inference. Our key insight is that while single-view predictions may be unstable, aggregating predictions from multiple carefully cropped views can effectively distinguish correct coordinates from outliers. MVP comprises two components: (1) Attention-Guided View Proposal, which derives diverse views guided by instruction-to-image attention scores, and (2) Multi-Coordinates Clustering, which ensembles predictions by selecting the centroid of the densest spatial cluster. Extensive experiments demonstrate MVP's effectiveness across various models and benchmarks. Notably, on ScreenSpot-Pro, MVP boosts UI-TARS-1.5-7B to 56.1%, GTA1-7B to 61.7%, Qwen3VL-8B-Instruct to 65.3%, and Qwen3VL-32B-Instruct to 74.0%. The code is available at https://github.com/ZJUSCL/MVP.

The search for quantum spin liquids (QSL) and chemical doping in such materials to explore superconductivity have continuously attracted intense interest. Here, we report the discovery of a potential QSL candidate, pyrochlore-lattice beta-NaYbO2. Colorless and transparent NaYbO2 single crystals, layered alpha-NaYbO2 (~250 um on edge) and octahedral beta-NaYbO2 (~50 um on edge), were grown for the first time. Synchrotron X-ray single crystal diffraction unambiguously determined that the newfound beta-NaYbO2 belongs to the three-dimensional pyrochlore structure characterized by the R-3m space group, corroborated by synchrotron X-ray and neutron powder diffraction and pair distribution function. Magnetic measurements revealed no long-range magnetic order or spin glass behavior down to 0.4 K with a low boundary spin frustration factor of 17.5, suggesting a potential QSL ground state. Under high magnetic fields, the potential QSL state was broken and spins order. Our findings reveal that NaYbO2 is a fertile playground for studying novel quantum states.

We consider the D4-D8-D8 brane system which serves as ultraviolet completion of the Nambu-Jona-Lasinio model, where the only degrees of freedom carrying baryon charge are fermions. By turning on chemical potential for this charge one may expect the formation of the Fermi liquid ground state. At strong coupling we use the dual holographic description to investigate the responses of the system to small perturbations. In the chirally symmetric phase we find that the density dependent part of the heat capacity vanishes linearly with temperature. We also observe a zero sound excitation in the collisionless regime, whose speed is equal to that of normal sound in the hydrodynamic regime. Both the linear dependence of the heat capacity and the existence of zero sound are properties of the Fermi liquid ground state. We also compute the two-point function of the currents at vanishing frequency but do not find any singularities at finite values of the momentum.

There is extensive current interest about electronic topology in correlated settings. In strongly correlated systems, contours of Green's function zeros may develop in frequency-momentum space, and their role in correlated topology has increasingly been recognized. However, whether and how the zeros contribute to electronic properties is a matter of uncertainty. Here we address the issue in an exactly solvable model for Mott insulator. We show that the Green's function zeros contribute to several physically measurable correlation functions, in a way that does not run into inconsistencies. In particular, the physical properties remain robust to chemical potential variations up to the Mott gap as it should be based on general considerations. Our work sets the stage for further understandings on the rich interplay among topology, symmetry and strong correlations.

How do multi-turn reasoning systems fail? The expected answer is logical contradiction, in which the system's maintained state becomes unsatisfiable. We show that the dominant mode is instead satisfiable drift, where the internal state stays consistent while the returned answer silently violates prior commitments. We build DRIFT-Bench (Decomposing Reasoning Into Failure Types), a solver-instrumented benchmark of 816 test problems across three constraint domains, and evaluate four methods on it across four open-weight models (8B-120B parameters). MUS-Repair, which feeds minimal unsatisfiable subsets back to the generator, is strongest in every setting (+1.8 to +15.0 pp over the best non-MUS baseline). But the central finding is what repair leaves behind. After structured feedback, models rarely contradict themselves. They forget. Residual errors are 98-100% satisfiable drift across all settings, while contradiction drops to near zero. Reliable multi-turn systems must separately validate that the returned answer respects the maintained state. Code is available at https://github.com/kaons-research/drift-bench.

Energy-based models (EBMs) implement inference as gradient descent on a learned Lyapunov function, yielding interpretable, structure-preserving alternatives to black-box neural ODEs and aligning naturally with physical AI. Yet their use in system identification remains limited, and existing architectures lack formal stability guarantees that globally preclude unstable modes. We address this gap by introducing an EBM framework for system identification with stable, dissipative, absorbing invariant dynamics. Unlike classical global Lyapunov stability, absorbing invariance expands the class of stability-preserving architectures, enabling more flexible and expressive EBMs. We extend EBM theory to nonsmooth activations by establishing negative energy dissipation via Clarke derivatives and deriving new conditions for radial unboundedness, exposing a stability-expressivity tradeoff in standard EBMs. To overcome this, we introduce a hybrid architecture with a dynamical visible layer and static hidden layers, prove absorbing invariance under mild assumptions, and show that these guarantees extend to port-Hamiltonian EBMs. Experiments on metric-deformed multi-well and ring systems validate the approach, showcasing how our hybrid EBM architecture combines expressivity with sound and provable safety guarantees by design.

Forecasting seismic waveforms beyond observed data remains challenging due to the nonlinear, dispersive, and multi-scale nature of seismic wave propagation. In this work, we introduce SeismoGPT, a transformer-based autoregressive model designed to forecast three-component seismic waveforms directly in the time domain. Forecasting is formulated as a physically constrained continuation problem in which the model receives waveform context beginning at the P-wave arrival and extending a defined time beyond the S-wave arrival, after which future motion is generated recursively without access to ground-truth samples. Evaluation is performed on synthetic seismograms spanning source depths of 5--100\,km, epicentral distances of 10--90^circ, and magnitudes 3 leq M_w leq 7. To disentangle the effects of context length and prediction horizon, we define three evaluation configurations using a distance-normalized context ratio and fixed prediction horizons of 120 and 240\,s. Across all configurations, the model achieves median normalized cross correlation above 0.93. Analysis of representative forecasts shows that successful predictions preserve both phase coherence and spectral energy distribution. Where failure cases arise, this is primarily due to gradual phase drift during autoregressive rollout rather than unphysical signal generation. These results demonstrate that transformer-based sequence models can learn stable dynamical continuation of seismic wavefields, highlighting the potential of foundation-model approaches for physics-driven time-series forecasting. There are potential applications of this methodology in seismic warning and hazard mitigation, particularly for next-generation gravitational-wave observatories, such as the Einstein Telescope.

It has been suggested previously that an ultra-soft fermionic excitation develops, albeit with a small spectral weight, in a system of massless fermions and scalar bosons with Yukawa interaction at high temperature (T). In this paper we study how this excitation is modified at finite chemical potential (μ). We relate the existence of the ultra-soft mode to symmetries, in particular charge conjugation, and a supersymmetry of the free system which is spontaneously broken by finite temperature and finite density effects, as argued earlier by Lebedev and Smilga. A non vanishing chemical potential breaks both symmetries explicitly, and maximally at zero temperature where the mode ceases to exist. A detailed calculation indicates that the ultra-soft excitation persists as long as Tgtrsim μ.

The dynamical realisation of the equation of state p +rho =0 is studied. A non-pathological dynamics for the perturbations of such a system mimicking a dynamical cosmological constant (DCC) requires to go beyond the perfect fluid paradigm. It is shown that an anisotropic stress must be always present. The Hamiltonian of the system in isolation resembles the one of a Pais-Uhlenbeck oscillator and linear stability requires that it cannot be positive definite. The dynamics of linear cosmological perturbations in a DCC dominated Universe is studied in detail showing that when DCC is minimally coupled to gravity no dramatic instability is present. In contrast to what happens in a cosmological constant dominated Universe, the non-relativistic matter contrast is no longer constant and exhibits an oscillator behaviour at small scales while it grows weakly at large scales. In the gravitational waves sector, at small scales, the amplitude is still suppressed as the inverse power of the scale factor while it grows logarithmically at large scales. Also the vector modes propagate, though no growing mode is found.

Vacancies are prevalent and versatile in solid-state physics and materials science. The role of vacancies in strongly correlated materials, however, remains uncultivated until now. Here, we report the discovery of an unprecedented vacancy state forming an extended buckled-honeycomb-vacancy (BHV) ordering in Ir_{16}Sb_{18}. Superconductivity emerges by suppressing the BHV ordering through squeezing of extra Ir atoms into the vacancies or isovalent Rh substitution. The phase diagram on vacancy ordering reveals the superconductivity competes with the BHV ordering. Further theoretical calculations suggest that this ordering originates from a synergistic effect of the vacancy formation energy and Fermi surface nesting with a wave vector of (1/3, 1/3, 0). The buckled structure breaks the crystal inversion symmetry and can mostly suppress the density of states near the Fermi level. The peculiarities of BHV ordering highlight the importance of "correlated vacancies" and may serve as a paradigm for exploring other non-trivial excitations and quantum criticality.

Using an evolutionary algorithm in combination with first-principles density functional theory calculations, we identify two-dimensional (2D) CaP_3 monolayer as a new Dirac semimetal due to inversion and nonsymmorphic spatial symmetries of the structure. This new topological material, composed of light elements, exhibits high structural stability (higher than the phase known in the literature), which is confirmed by thermodynamic and kinetic stability analysis. Moreover, it satisfies the electron filling criteria, so that its Dirac state is located near the Fermi level. The existence of the Dirac state predicted by the theoretical symmetry analysis is also confirmed by first-principles electronic band structure calculations. We find that the energy position of the Dirac state can be tuned by strain, while the Dirac state is unstable against an external electric field since it breaks the spatial inversion symmetry. Our findings should be instrumental in the development of 2D Dirac fermions based on light elements for their application in nanoelectronic devices and topological electronics.

We present the design, implementation and engineering experience in building and deploying MegaScale, a production system for training large language models (LLMs) at the scale of more than 10,000 GPUs. Training LLMs at this scale brings unprecedented challenges to training efficiency and stability. We take a full-stack approach that co-designs the algorithmic and system components across model block and optimizer design, computation and communication overlapping, operator optimization, data pipeline, and network performance tuning. Maintaining high efficiency throughout the training process (i.e., stability) is an important consideration in production given the long extent of LLM training jobs. Many hard stability issues only emerge at large scale, and in-depth observability is the key to address them. We develop a set of diagnosis tools to monitor system components and events deep in the stack, identify root causes, and derive effective techniques to achieve fault tolerance and mitigate stragglers. MegaScale achieves 55.2% Model FLOPs Utilization (MFU) when training a 175B LLM model on 12,288 GPUs, improving the MFU by 1.34x compared to Megatron-LM. We share our operational experience in identifying and fixing failures and stragglers. We hope by articulating the problems and sharing our experience from a systems perspective, this work can inspire future LLM systems research.

Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) in-domain vs out-of-distribution performance. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with further insights into trade-offs between various performance metrics. To answer the question which ML methodology performs best at materials discovery, our initial release explores a variety of models including random forests, graph neural networks (GNN), one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials (UIP). Ranked best-to-worst by their test set F1 score on thermodynamic stability prediction, we find CHGNet > M3GNet > MACE > ALIGNN > MEGNet > CGCNN > CGCNN+P > Wrenformer > BOWSR > Voronoi tessellation fingerprints with random forest. The top 3 models are UIPs, the winning methodology for ML-guided materials discovery, achieving F1 scores of ~0.6 for crystal stability classification and discovery acceleration factors (DAF) of up to 5x on the first 10k most stable predictions compared to dummy selection from our test set. We also highlight a sharp disconnect between commonly used global regression metrics and more task-relevant classification metrics. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV/atom above the convex hull where most materials are. Our results highlight the need to focus on classification metrics that actually correlate with improved stability hit rate.

Astrochemical models of interstellar clouds, the sites of stars, and planet formation require information about spin-state chemistry to allow quantitative comparison with spectroscopic observations. In particular, it is important to know if full scrambling or H abstraction (also known as proton hopping) takes place in ion-neutral reactions. The reaction of Cl+ and HCl+ with H2 and isotopologues has been studied at cryogenic temperatures between 20 and 180 K using a 22 pole radio frequency ion trap. Isotopic exchange processes are used to probe the reaction mechanism of the HCl+ + H2 reaction. The results are compared with previous measurements and theoretical predictions. The rate coefficients for the Cl+ + H2 and HCl+ + H2 reactions are found to be constant in the range of temperatures studied, except for the DCl+ + D2 reaction, where a weak negative temperature dependence is observed, and reactions with D2 are found to be significantly slower than the Langevin rate. No isotopic exchange reactions are observed to occur for the H2Cl+ ion. The analysis of the products of the HCl+ + H2 isotopic system clearly indicates that the reaction proceeds via simple hydrogen atom abstraction.

We present a continuous geometric framework that models the discrete algebraic operations of the Transformer architecture as an integro-differential equation (IDE) on a semantic fiber bundle calE = calM times R^d. Beginning from a single geometric axiom -- that the token sequence forms a discrete 1-manifold equipped with a canonical measure lattice -- we translate every core component of the modern Transformer (RMSNorm, RoPE, Softmax Attention, FFN, Residual Stream, SGD, Weight Decay) into a cohesive vocabulary of differential geometry, measure theory, and stochastic calculus. The resulting framework yields quantitative predictions spanning entropic optimal transport (Attention as a Schrödinger bridge) and non-equilibrium thermodynamics (SGD as Itô diffusion violating detailed balance). We conduct a six-part experimental campaign across five architectures (Qwen3, LLaMA\nobreakdash-3.1, Gemma\nobreakdash-3, GPT-2, Mistral) spanning 124M to 8B parameters. The empirical observables are quantitatively consistent with the geometric predictions: the ε^{-1/2} Lipschitz scaling calibration at machine precision (R^2 = 1.000), the Lie--Trotter operator-splitting torsion, the symmetric ablation instability confirming the Dual-Law of Topological Stability, the calO(1/k) thermodynamic suppression of Poincaré recurrence on the RoPE torus, the thermodynamic context-limit phase transition, and the Non-Equilibrium Steady State parameter vortex -- verified across two optimizers (AdamW and Pure SGD) to exclude momentum artifacts. The results demonstrate that analyzing Transformers through the lens of continuous stochastic differential geometry provides a predictive descriptive vocabulary for the stability limits, context bounds, and optimization dynamics of Large Language Models.

Multireference density functional theory (MR-DFT) provides a pivotal microscopic framework for the description of the ground state properties, low-lying nuclear spectra and transition properties of atomic nuclei. Conventionally, practical implementations of MR-DFT rely on empirically chosen generator coordinates, which may omit relevant collective degrees of freedom and thus fail to capture sufficient collective correlations. Here we introduce the stochastic-basis multireference density functional theory (MR-SDFT). This is an extended scheme that augments the MR-DFT toolkit by (i) generating a diverse ensemble of mean-field reference configurations via a stochastic external field and (ii) selecting a compact subspace with Projection-Selection method. The chosen reference configurations are then linearly superposed within the MR-DFT framework to yield spectroscopic observables. Applying this framework to \nuclide[20]{Ne}, \nuclide[24]{Mg} and \nuclide[28]{Si} with the covariant density functional theory (CDFT), it is demonstrated that the MR-SCDFT leads to lower ground-state energies, smaller point-proton rms radius, and a softer ground-state band compared to the conventional MR-CDFT.

We study the scaling properties of avalanche activity in the two-dimensional Abelian sandpile model. Instead of the conventional avalanche size distribution, we analyze the site activity distribution, which measures how often a site participates in avalanches when grains are added across the lattice. Using numerical simulations for system sizes up to \(L = 160\), averaged over \(10^4\) configurations, we determine the probability distribution \(P(A, L)\) of site activities. The results show that \(P(A, L)\) follows a finite-size scaling form \[ P(A, L) \sim L^{-2} F\Big(A{L^2}\Big). \] For small values \(A \ll L^2\) the scaling function behaves as \[ F(u) \sim u^{-1/2}, \quad corresponding to \quad P(A) \sim 1{L}, \] while for large activities \(A \sim O(L^2)\) the distribution decays as \[ F(u) \sim \exp\big(-c_3 u - c_4 u^2\big). \] The crossover between these two regimes occurs at \[ A^* \sim 0.1 \, L^2, \] marking the threshold between typical and highly excitable sites. This characterization of local avalanche activity provides complementary information to the usual avalanche size statistics, highlighting how local regions serve as frequent conduits for critical dynamics. These results may help connect sandpile models to real-world self-organized critical systems where only partial local activity can be observed.

Quasicrystals exhibit exotic properties inherited from the self-similarity of their long-range ordered, yet aperiodic, structure. The recent realization of optical quasicrystal lattices paves the way to the study of correlated Bose fluids in such structures, but the regime of strong interactions remains largely unexplored, both theoretically and experimentally. Here, we determine the quantum phase diagram of two-dimensional correlated bosons in an eightfold quasicrystal potential. Using large-scale quantum Monte Carlo calculations, we demonstrate a superfluid-to-Bose glass transition and determine the critical line. Moreover, we show that strong interactions stabilize Mott insulator phases, some of which have spontaneously broken eightfold symmetry. Our results are directly relevant to current generation experiments and, in particular, drive prospects to the observation of the still elusive Bose glass phase in two dimensions and exotic Mott phases.

Motivated by topologically protected states in wave physics, we study localised eigenmodes in one-dimensional periodic media with defects. The Su-Schrieffer-Heeger model (the canonical example of a one-dimensional system with topologically protected localised defect states) is used to demonstrate the method. Our approach can be used to describe two broad classes of perturbations to periodic differential problems: those caused by inserting a finite-sized piece of arbitrary material and those caused by creating an interface between two different periodic media. The results presented here characterise the existence of localised eigenmodes in each case and, when they exist, determine their eigenfrequencies and provide concise analytic results that quantify the decay rate of these modes. These results are obtained using both high-frequency homogenisation and transfer matrix analysis, with good agreement between the two methods.

Superconducting systems may display different types of nonequilibrium states depending on the specific constraints imposed for measurement. We probe current-voltage relations of three-dimensional superconducting films by allowing finite voltages to develop across their length. Our experiments reveal sharp features of negative differential conductance which highlight the validity of the principle of minimum entropy production at the critical current transition. We have observed dissipative states with resistances intermediate between those of superconducting and normal phases at zero applied magnetic field, indicating a phenomenon of phase coexistence under nonequilibrium conditions. The features of steady states reported here are not accessible in conventional transport experiments with current-biasing methods.

Looped Language Models (LoopLMs) enable efficient latent reasoning through depth recurrence, yet exhibit unreliable test-time scaling behavior: performance often peaks at a certain iteration depth and then collapses with further recurrence. Through latent dynamics analysis, we find an inherent trade-off between stability and effectiveness in existing architectures and strategies. By conceptualizing reasoning as uncertainty reduction, we propose that convergence toward stable fixed points while preserving effectiveness represents a promising way. To this end, we propose STARS (STAbility-driven Recurrent Scaling), a training framework that constrains latent states to approach asymptotically stable fixed points. This is realized via efficient Jacobian Spectral Radius Regularization with random loop sampling, enabling STARS to maximize effectiveness while ensuring rigorous stability. Experiments on arithmetic tasks show that STARS achieves reliable test-time scaling, and on complex mathematical reasoning it substantially mitigates performance degradation as recurrence depth increases while also improving peak performance.

Large-amplitude molecular motions which occur during isomerization can cause significant changes in electronic structure. These variations in electronic properties can be used to identify vibrationally-excited eigenstates which are localized along the potential energy surface. This work demonstrates that nuclear quadrupole hyperfine interactions can be used as a diagnostic marker of progress along the isomerization path in both the HC14N/H14NC and DC15N/D15NC chemical systems. Ab initio calculations at the CCSD(T)/cc-pCVQZ level indicate that the hyperfine interaction is extremely sensitive to the chemical bonding of the quadrupolar 14N nucleus and can therefore be used to determine in which potential well the vibrational wavefunction is localized. A natural bonding orbital analysis along the isomerization path further demonstrates that hyperfine interactions arise from the asphericity of the electron density at the quadrupolar nucleus. Using the CCSD(T) potential surface, the quadrupole coupling constants of highly-excited vibrational states are computed from a one-dimensional internal coordinate path Hamiltonian. The excellent agreement between ab initio calculations and recent measurements demonstrates that nuclear quadrupole hyperfine structure can be used as a diagnostic tool for characterizing localized HCN and HNC vibrational states.

Living systems face both environmental complexity and limited access to free-energy resources. Survival under these conditions requires a control system that can activate, or deploy, available perception and action resources in a context specific way. We show here that when systems are described as executing active inference driven by the free-energy principle (and hence can be considered Bayesian prediction-error minimizers), their control flow systems can always be represented as tensor networks (TNs). We show how TNs as control systems can be implmented within the general framework of quantum topological neural networks, and discuss the implications of these results for modeling biological systems at multiple scales.

We study the quantum coherence and its distribution of N-partite GHZ and W states of bosonic fields in the noninertial frames with arbitrary number of acceleration observers. We find that the coherence of both GHZ and W state reduces with accelerations and freezes in the limit of infinite accelerations. The freezing value of coherence depends on the number of accelerated observers. The coherence of N-partite GHZ state is genuinely global and no coherence exists in any subsystems. For the N-partite W state, however, the coherence is essentially bipartite types, and the total coherence is equal to the sum of coherence of all the bipartite subsystems.

I introduce a novel mathematical framework integrating topological dynamics, operator algebras, and ergodic geometry to study lattices of asynchronous metric dynamical systems. Each node in the lattice carries an internal flow represented by a one-parameter family of operators, evolving on its own time scale. I formalize stratified state spaces capturing multiple levels of synchronized behavior, define an asynchronous evolution metric that quantifies phase-offset distances between subsystems, and characterize emergent coherent topologies arising when subsystems synchronize. Within this framework, I develop formal operators for the evolution of each subsystem and give precise conditions under which phase-aligned synchronization occurs across the lattice. The main results include: (1) the existence and uniqueness of coherent (synchronized) states under a contractive coupling condition, (2) stability of these coherent states and criteria for their emergence as a collective phase transition in a continuous operator topology, and (3) the influence of symmetries, with group-invariant coupling leading to flow-invariant synchrony subspaces and structured cluster dynamics. Proofs are given for each theorem, demonstrating full mathematical rigor. In a final section, I discuss hypothetical applications of this framework to symbolic lattice systems (e.g. subshifts), to invariant group actions on dynamical lattices, and to operator fields over stratified manifolds in the spirit of noncommutative geometry. Throughout, I write in the first person to emphasize the exploratory nature of this work. The paper avoids any reference to cosmology or observers, focusing instead on clean, formal mathematics suitable for a broad array of dynamical systems.

Neural quantum states (NQS) have emerged as a powerful tool for approximating quantum wavefunctions using deep learning. While these models achieve remarkable accuracy, understanding how they encode physical information remains an open challenge. In this work, we introduce adiabatic fine-tuning, a scheme that trains NQS across a phase diagram, leading to strongly correlated weight representations across different models. This correlation in weight space enables the detection of phase transitions in quantum systems by analyzing the trained network weights alone. We validate our approach on the transverse field Ising model and the J1-J2 Heisenberg model, demonstrating that phase transitions manifest as distinct structures in weight space. Our results establish a connection between physical phase transitions and the geometry of neural network parameters, opening new directions for the interpretability of machine learning models in physics.

Orthonormalized update rules have rapidly become a leading choice of optimizer for training large language models, with recent open-source state-of-the-art models adopting Muon. To keep these updates tractable, Muon performs the orthonormalization with the Newton--Schulz (NS) iteration. Since NS is only approximate, directions with small singular values fail to be orthonormalized. In Muon, NS is applied to the momentum matrix at every step, yet little is known about how the singular value spectrum of these momentum matrices behaves during training, or how that behavior changes with model size. We present the first systematic study of this question. Tracking singular value quantiles of the momentum buffer across layers in models ranging from 77M to 2.8B parameters, we observe a consistent picture: after a short burn-in, the quantiles stabilize at a value determined by the layer type and model size. These stabilization values follow remarkably clean power laws in model size, with layer-dependent exponents. Layers up to mid-late depth scale very mildly with model size M (around M^{-0.25}), so the standard 5-step NS configuration used at academic scale will continue to orthonormalize them at much larger scales. Some of the late layers, however, scale much more aggressively (up to M^{-0.96}) and will fall into the NS failure regime at frontier scale unless one uses more NS iterations or better-tuned coefficients. NS iterations are computationally expensive at scale; our laws give practitioners a principled, layer-aware recipe for choosing the minimum NS configuration that still orthonormalizes the directions that matter -- avoiding unnecessary computation without sacrificing update quality.

We explore the consequences of multi-trace deformations in applications of gauge-gravity duality to condensed matter physics. We find that they introduce a powerful new "knob" that can implement spontaneous symmetry breaking, and can be used to construct a new type of holographic superconductor. This knob can be tuned to drive the critical temperature to zero, leading to a new quantum critical point. We calculate nontrivial critical exponents, and show that fluctuations of the order parameter are `locally' quantum critical in the disordered phase. Most notably the dynamical critical exponent is determined by the dimension of an operator at the critical point. We argue that the results are robust against quantum corrections and discuss various generalizations.

DDEBIFTOOL is a collection of Matlab routines for numerical bifurcation analysis of systems of delay differential equations with discrete constant and state-dependent delays. The package supports continuation and stability analysis of steady state solutions and periodic solutions. Further one can compute and continue several local and global bifurcations: fold and Hopf bifurcations of steady states; folds, period doublings and torus bifurcations of periodic orbits; and connecting orbits between equilibria. To analyse the stability of steady state solutions, approximations are computed to the rightmost, stability-determining roots of the characteristic equation which can subsequently be used as starting values in a Newton procedure. For periodic solutions, approximations to the Floquet multipliers are computed. The manual describes the structure of the package, its routines, and its data and method parameter structures.

Rydberg atom arrays have emerged as a powerful platform to simulate a number of exotic quantum ground states and phase transitions. To verify these capabilities numerically, we develop a versatile quantum Monte Carlo sampling technique which operates in the reduced Hilbert space generated by enforcing the constraint of a Rydberg blockade. We use the framework of stochastic series expansion and show that in the restricted space, the configuration space of operator strings can be understood as a hard rod gas in d+1 dimensions. We use this mapping to develop cluster algorithms which can be visualized as various non-local movements of rods. We study the efficiency of each of our updates individually and collectively. To elucidate the utility of the algorithm, we show that it can efficiently generate the phase diagram of a Rydberg atom array, to temperatures much smaller than all energy scales involved, on a Kagom\'e link lattice. This is of broad interest as the presence of a Z_2 spin liquid has been hypothesized recently.

Graphical User Interface (GUI) grounding aims to translate natural language instructions into executable screen coordinates, enabling automated GUI interaction. Nevertheless, incorrect grounding can result in costly, hard-to-reverse actions (e.g., erroneous payment approvals), raising concerns about model reliability. In this paper, we introduce SafeGround, an uncertainty-aware framework for GUI grounding models that enables risk-aware predictions through calibrations before testing. SafeGround leverages a distribution-aware uncertainty quantification method to capture the spatial dispersion of stochastic samples from outputs of any given model. Then, through the calibration process, SafeGround derives a test-time decision threshold with statistically guaranteed false discovery rate (FDR) control. We apply SafeGround on multiple GUI grounding models for the challenging ScreenSpot-Pro benchmark. Experimental results show that our uncertainty measure consistently outperforms existing baselines in distinguishing correct from incorrect predictions, while the calibrated threshold reliably enables rigorous risk control and potentials of substantial system-level accuracy improvements. Across multiple GUI grounding models, SafeGround improves system-level accuracy by up to 5.38% percentage points over Gemini-only inference.

Computer-use agents are usually improved by strengthening perception: better models for reading a screenshot and choosing where to click. Yet a screenshot is only a lossy rendering of the underlying program state, e.g., the files, application backends, and DOM that hold the task data. Different states can produce the same pixels, while code can inspect and modify that state directly. StateAct is a code-first, multi-agent harness built around this distinction. Its main agent works directly with program state by using code, while a dedicated GUI subagent handles screenshot-and-click interaction on the few subgoals that need it, just 28 of 108 tasks and 1.1% of main-agent steps. The same direct access to program state also supports verification: an independent finish gate double-checks the saved result for structural failures, e.g., output that is missing, unsaved, or written to the wrong path. To stay on track over hundreds of steps, the main agent hands subgoals to fresh subagents, keeping its own context focused. On OSWorld 2.0, StateAct lifts Claude Opus 4.8 from 20.6% to 26.9% on binary success, and from 54.8% to 61.6% on partial success, at ~ 9x lower cost per task than the same model driven by screenshots alone; a code-only variant with no GUI subagent reaches only 45.9% partial, below that screenshot-based baseline's 54.8%. In general, grounding action, verification, and memory in state, what we call state-grounding, shifts the main bottleneck from perception toward reasoning: failures depend more on what the agent thinks than on what it sees.

In many real-world applications, deep neural networks are retrained from scratch as a dataset grows in size. Given the computational expense for retraining networks, it has been argued that continual learning could make updating networks more efficient. An obstacle to achieving this goal is the stability gap, which refers to an observation that when updating on new data, performance on previously learned data degrades before recovering. Addressing this problem would enable learning new data with fewer network updates, resulting in increased computational efficiency. We study how to mitigate the stability gap. We test a variety of hypotheses to understand why the stability gap occurs. This leads us to discover a method that vastly reduces this gap. In large-scale class incremental learning experiments, we are able to significantly reduce the number of network updates needed for continual learning. Our work has the potential to advance the state-of-the-art in continual learning for real-world applications along with reducing the carbon footprint required to maintain updated neural networks.

Symmetries such as gauge invariance and anyonic symmetry play a crucial role in quantum many-body physics. We develop a general approach to constructing gauge invariant or anyonic symmetric autoregressive neural network quantum states, including a wide range of architectures such as Transformer and recurrent neural network (RNN), for quantum lattice models. These networks can be efficiently sampled and explicitly obey gauge symmetries or anyonic constraint. We prove that our methods can provide exact representation for the ground and excited states of the 2D and 3D toric codes, and the X-cube fracton model. We variationally optimize our symmetry incorporated autoregressive neural networks for ground states as well as real-time dynamics for a variety of models. We simulate the dynamics and the ground states of the quantum link model of U(1) lattice gauge theory, obtain the phase diagram for the 2D Z_2 gauge theory, determine the phase transition and the central charge of the SU(2)_3 anyonic chain, and also compute the ground state energy of the SU(2) invariant Heisenberg spin chain. Our approach provides powerful tools for exploring condensed matter physics, high energy physics and quantum information science.

Gaussian process (GP) regression provides a strategy for accelerating saddle point searches on high-dimensional energy surfaces by reducing the number of times the energy and its derivatives with respect to atomic coordinates need to be evaluated. The computational overhead in the hyperparameter optimization can, however, be large and make the approach inefficient. Failures can also occur if the search ventures too far into regions that are not represented well enough by the GP model. Here, these challenges are resolved by using geometry-aware optimal transport measures and an active pruning strategy using a summation over Wasserstein-1 distances for each atom-type in farthest-point sampling, selecting a fixed-size subset of geometrically diverse configurations to avoid rapidly increasing cost of GP updates as more observations are made. Stability is enhanced by permutation-invariant metric that provides a reliable trust radius for early-stopping and a logarithmic barrier penalty for the growth of the signal variance. These physically motivated algorithmic changes prove their efficacy by reducing to less than a half the mean computational time on a set of 238 challenging configurations from a previously published data set of chemical reactions. With these improvements, the GP approach is established as, a robust and scalable algorithm for accelerating saddle point searches when the evaluation of the energy and atomic forces requires significant computational effort.

Neural networks acquire structured representations at specific moments during training, yet identifying these transitions typically relies on retrospective, label-dependent metrics. We introduce a bifurcation theory of representation dynamics to detect these moments in real time. Analyzing a passive GMM probe attached to the evolving encoder, we show the onset of structure corresponds to a supercritical pitchfork bifurcation driven by the loss Hessian. The system exhibits a theoretically predictable zero-crossing (β_c) that, compared to the network's current state (β), yields a dynamic ratio β(t)/β_c(t): a universal, label-free phase coordinate for representation dynamics, computable entirely from hidden states. We empirically validate four distinct transition regimes predicted by this coordinate across diverse settings: SAEs on language models (Pythia), SSL (CIFAR), and grokking (modular arithmetic). Crucially, under finite dissipation, macroscopic symmetry-breaking can lag the initial zero-crossing by orders of magnitude, which providing a rigorous dynamical account of the delayed escape observed in grokking. Microscopically, the bifurcation creates a shared unstable subspace, forcing collective symmetry breaking. We term this the "feature lottery" in SAE training: a feature's terminal interpretability becomes predictable remarkably early. By only 5% of training, early atom purity robustly predicts final convergence purity, with top-decile early atoms achieving over 12x the baseline purity at convergence. Beyond explaining concept emergence, β/β_c provides a practical early-warning indicator for training health, detecting the onset of usable structure, the crystallization of feature identity, and representational collapse epochs before downstream metrics react.

Differentiable matching layers and residual connection paradigms, often implemented via entropy-regularized Optimal Transport (OT), serve as critical mechanisms in structural prediction and architectural scaling. However, recovering discrete permutations or maintaining identity mappings via annealing εto 0 is notoriously unstable. In this work, we identify a fundamental mechanism for this failure: Premature Mode Collapse. By analyzing the non-normal dynamics of the Sinkhorn fixed-point map, we reveal a theoretical thermodynamic speed limit: standard exponential cooling outpaces the contraction rate of the inference operator, which degrades as O(1/ε). To address this, we propose Efficient Piecewise Hybrid Adaptive Stability Control (EPH-ASC), an adaptive scheduling algorithm that monitors the stability of the inference process. We demonstrate that EPH-ASC is essential for stabilizing Manifold-Constrained Hyper-Connections (mHC) during large-scale training on the FineWeb-Edu dataset, effectively preventing late-stage gradient explosions by enforcing a linear stability law.

Stabilizer states are extensively studied in quantum information theory for their structures based on the Pauli group. Calderbank-Shor-Steane (CSS) stabilizer states are of particular importance in their application to fault-tolerant quantum computation (FTQC). However, how to fault-tolerantly prepare arbitrary CSS stabilizer states for general CSS stabilizer codes is still unknown, and their preparation can be highly costly in computational resources. In this paper, we show how to prepare a large class of CSS stabilizer states useful for FTQC. We propose distillation protocols using syndrome encoding by classical codes or quantum CSS codes. Along the same lines, we show that classical coding techniques can reduce the ancilla consumption in Steane syndrome extraction by using additional transversal controlled-NOT gates and classical computing power. In the scenario of a fixed ancilla consumption rate, we can increase the frequency of quantum error correction and effectively lower the error rate.

Operational weather prediction at kilometer scales remains computationally prohibitive for traditional numerical weather prediction (NWP) models, limiting forecast access for applications in energy, agriculture, and disaster management that require fine-grained spatiotemporal detail. Here we introduce AirCast-SR, a foundation model for atmospheric super-resolution that downscales global AI weather forecasts from 0.25 degree (~28 km) to 1 km horizontal resolution at hourly temporal resolution, producing 67-hour forecasts of eight coupled surface variables simultaneously. EarthMind-SR employs a three-dimensional U-Net conditioned within a Latent Consistency Model (LCM) diffusion framework, trained on patch-based samples over the contiguous United States (CONUS) using GraphCast forecasts as input and NOAA's Analysis of Record for Calibration (AORC) as the target. The model achieves near-zero bias across all variables and lead times, and its radial power spectral density analysis demonstrates preservation of fine-scale atmospheric structure at wavelengths of 10 km to 100 km where coarser models lose spectral power. We validate EarthMind-SR across three CONUS case studies spanning winter, summer, and spring seasons, and demonstrate zero-shot global transferability over India and Germany using independent surface station observations without any retraining or fine-tuning. As an open-weights foundation model, EarthMind-SR establishes a new paradigm for kilometer-scale AI weather prediction and provides a platform for regional fine-tuning, distillation, and downstream applications in climate services and hazard forecasting.

The optical properties of the superconducting K_{0.8}Fe_{1.7}(Se_{0.73}S_{0.27})_2 single crystals with a critical temperature T_capprox 26 K have been measured in the {\it ab} plane in a wide frequency range using both infrared Fourier-transform spectroscopy and spectroscopic ellipsometry at temperatures of 4--300 K. The normal-state reflectance of K_{0.8}Fe_{1.7}(Se_{0.73}S_{0.27})_2 is analyzed using a Drude-Lorentz model with one Drude component. The temperature dependences of the plasma frequency, optical conductivity, scattering rate, and dc resistivity of the Drude contribution in the normal state are presented. In the superconducting state, we observe a signature of the superconducting gap opening at 2Δ(5~K) = 11.8~meV. An abrupt decrease in the low-frequency dielectric permittivity varepsilon _1(ω) at T < T_c also evidences the formation of the superconducting condensate. The superconducting plasma frequency ω_{pl,s} = (213pm 5)~cm^{-1} and the magnetic penetration depth λ=(7.5pm 0.2)~μm at T=5~K are determined.

It has been proposed that the superconducting transition temperature T_{c} of an unconventional superconductor with a large pairing scale but strong phase fluctuations can be enhanced by coupling it to a metal. However, the general efficacy of this approach across different parameter regimes remains an open question. Using the dynamical cluster approximation, we study this question in a system composed of an attractive Hubbard layer in the intermediate coupling regime, where the magnitude of the attractive Coulomb interaction |U| is slightly larger than the bandwidth W, hybridized with a noninteracting metallic layer. We find that while the superconducting transition becomes more mean-field-like with increasing interlayer hopping, the superconducting transition temperature T_{c} exhibits a nonmonotonic dependence on the strength of the hybridization t_{perp}. This behavior arises from a reduction of the effective pairing interaction in the correlated layer that out-competes the growth in the intrinsic pair-field susceptibility induced by the coupling to the metallic layer. We find that the largest T_{c} inferred here for the composite system is below the maximum value currently estimated for the isolated negative-U Hubbard model.

We evaluate electromagnetic-response observables in a half-filled Chern band, across a topological phase transition between a composite Fermi liquid (CFL) and a Fermi liquid (FL) phase. While a sharp gapped plasma mode exists deep in the CFL phase, we demonstrate that it is damped near the proposed continuous phase transition between CFL and FL. This plasmon-damping phenomenon originates from emergent gauge fields and a Dirac-fermion-like spectrum. Similar features also occur in other continuous deconfined topological phase transitions, such as the Laughlin to superfluid transition in a bosonic system. In particular, this damping behavior extends over a finite range across the phase boundary, and, hence, we expect it to persist even when the transition is weakly first-order. Furthermore, we analyze the behavior of the Drude weight, the wavevector-dependent conductivity, and the chiral mirror effect across these topological phase transitions.

The local structure of V_{2}O_{3}, an archetypal strongly correlated electron system that displays a metal-insulator transition around 160 K, has been investigated via pair distribution function (PDF) analysis of neutron and x-ray total scattering data. The rhombohedral-to-monoclinic structural phase transition manifests as an abrupt change on all length scales in the observed PDF. No monoclinic distortions of the local structure are found above the transition, although coexisting regions of phase-separated rhombohedral and monoclinic symmetry are observed between 150 K and 160 K. This lack of structural fluctuations above the transition contrasts with the known presence of magnetic fluctuations in the high-temperature state, suggesting that the lattice degree of freedom plays a secondary role behind the spin degree of freedom in the transition mechanism.

Recent progress in multi-turn reinforcement learning (RL) has significantly improved reasoning LLMs' performances on complex interactive tasks. Despite advances in stabilization techniques such as fine-grained credit assignment and trajectory filtering, instability remains pervasive and often leads to training collapse. We argue that this instability stems from inefficient exploration in multi-turn settings, where policies continue to generate low-information actions that neither reduce uncertainty nor advance task progress. To address this issue, we propose Token- and Turn-level Policy Optimization (T^2PO), an uncertainty-aware framework that explicitly controls exploration at fine-grained levels. At the token level, T^2PO monitors uncertainty dynamics and triggers a thinking intervention once the marginal uncertainty change falls below a threshold. At the turn level, T^2PO identifies interactions with negligible exploration progress and dynamically resamples such turns to avoid wasted rollouts. We evaluate T^2PO in diverse environments, including WebShop, ALFWorld, and Search QA, demonstrating substantial gains in training stability and performance improvements with better exploration efficiency. Code is available at: https://github.com/WillDreamer/T2PO.

We present dla-ideal-solver, a high-performance framework for simulating two-dimensional Diffusion-Limited Aggregation (DLA) using Numba-accelerated Python. By leveraging just-in-time (JIT) compilation, we achieve computational throughput comparable to legacy static implementations while retaining high-level flexibility. We investigate the Laplacian growth instability across varying injection geometries and walker concentrations. Our analysis confirms the robustness of the standard fractal dimension D_f approx 1.71 for dilute regimes, consistent with the Witten-Sander universality class. However, we report a distinct crossover to Eden-like compact growth (D_f approx 1.87) in high-density environments, attributed to the saturation of the screening length. Beyond standard mass-radius scaling, we employ generalized Rényi dimensions and lacunarity metrics to quantify the monofractal character and spatial heterogeneity of the aggregates. This work establishes a reproducible, open-source testbed for exploring phase transitions in non-equilibrium statistical mechanics.

On a global level, ecological communities are being perturbed at an unprecedented rate by human activities and environmental instabilities. Yet, we understand little about what factors facilitate or impede long-term persistence of these communities. While observational studies indicate that increased biodiversity must, somehow, be driving stability, theoretical studies have argued the exact opposite viewpoint instead. This encouraged many researchers to participate in the ongoing diversity-stability debate. Within this context, however, there has been a severe lack of studies that consider spatial features explicitly, even though nearly all habitats are spatially embedded. To this end, we study here the linear stability of meta-ecosystems on networks that describe how discrete patches are connected by dispersal between them. By combining results from random-matrix theory and network theory, we are able to show that there are three distinct features that underlie stability: edge density, tendency to triadic closure, and isolation or fragmentation. Our results appear to further indicate that network sparsity does not necessarily reduce stability, and that connections between patches are just as, if not more, important to consider when studying the stability of large ecological systems.

In this paper we study the out-of-equilibrium phase diagram of the quantum version of Derrida's Random Energy Model, which is the simplest model of mean-field spin glasses. We interpret its corresponding quantum dynamics in Fock space as a one-particle problem in very high dimension to which we apply different theoretical methods tailored for high-dimensional lattices: the Forward-Scattering Approximation, a mapping to the Rosenzweig-Porter model, and the cavity method. Our results indicate the existence of two transition lines and three distinct dynamical phases: a completely many-body localized phase at low energy, a fully ergodic phase at high energy, and a multifractal "bad metal" phase at intermediate energy. In the latter, eigenfunctions occupy a diverging volume, yet an exponentially vanishing fraction of the total Hilbert space. We discuss the limitations of our approximations and the relationship with previous studies.

Coding agents now produce a growing share of a team's code, while the reasoning behind each change -- the alternatives weighed, the constraints discovered, the approaches rejected -- is trapped in assistant transcripts that vanish with the session. Memory for this setting, the agentic development lifecycle (ADLC), is usually posed as one retrieval problem and built as machinery: tiered stores, memory graphs, compiled wikis, model-judged admission. We argue memory should instead be git-bound -- built into the repository's version control, inheriting the guarantees the machinery struggles to construct: ground truth from commits, freshness from rebuild, verification from the merge, containment from review. On this ledger we solve two problems separately, then combine them. Seed supply is closed as an eight-corpus retrieval study under a pre-registered ship discipline: five imported ranking mechanisms rejected, two kept, and a best configuration of ~0.31 pooled MRR -- ~60x the raw-transcript grep floor, ~15x an honest parsed-turn floor. Answer assembly is where ranking stops helping: single-shot retrieval scores only 0.07-0.20 answer-sufficiency on real developer questions, and ungated episode injection measurably degrades good answers. A router dispatches breadth to a git-anchored structural map, pointed lookups to confidence-gated episodes, and rationale to decision synthesis, which reconstructs why-arcs no single session contains (0.83 sufficiency on a young ~50k-LOC production system). Routed, the system answers at 382-980 tokens per question -- three orders of magnitude below the recorded history. Because ground truth is mined from commit-session links rather than annotated, every result is replicable on any user's own history at zero labeling cost. The remaining constraint is capture. Code, benchmark, and paper source: github.com/rekal-dev/rekal-cli.

Teams that have trained large Transformer-based models have reported training instabilities at large scale that did not appear when training with the same hyperparameters at smaller scales. Although the causes of such instabilities are of scientific interest, the amount of resources required to reproduce them has made investigation difficult. In this work, we seek ways to reproduce and study training stability and instability at smaller scales. First, we focus on two sources of training instability described in previous work: the growth of logits in attention layers (Dehghani et al., 2023) and divergence of the output logits from the log probabilities (Chowdhery et al., 2022). By measuring the relationship between learning rate and loss across scales, we show that these instabilities also appear in small models when training at high learning rates, and that mitigations previously employed at large scales are equally effective in this regime. This prompts us to investigate the extent to which other known optimizer and model interventions influence the sensitivity of the final loss to changes in the learning rate. To this end, we study methods such as warm-up, weight decay, and the muParam (Yang et al., 2022), and combine techniques to train small models that achieve similar losses across orders of magnitude of learning rate variation. Finally, to conclude our exploration we study two cases where instabilities can be predicted before they emerge by examining the scaling behavior of model activation and gradient norms.

We pursue the development and application of the recently-introduced linear optimization method for determining the optimal linear and nonlinear parameters of Jastrow-Slater wave functions in a variational Monte Carlo framework. In this approach, the optimal parameters are found iteratively by diagonalizing the Hamiltonian matrix in the space spanned by the wave function and its first-order derivatives, making use of a strong zero-variance principle. We extend the method to optimize the exponents of the basis functions, simultaneously with all the other parameters, namely the Jastrow, configuration state function and orbital parameters. We show that the linear optimization method can be thought of as a so-called augmented Hessian approach, which helps explain the robustness of the method and permits us to extend it to minimize a linear combination of the energy and the energy variance. We apply the linear optimization method to obtain the complete ground-state potential energy curve of the C_2 molecule up to the dissociation limit, and discuss size consistency and broken spin-symmetry issues in quantum Monte Carlo calculations. We perform calculations of the first-row atoms and homonuclear diatomic molecules with fully optimized Jastrow-Slater wave functions, and we demonstrate that molecular well depths can be obtained with near chemical accuracy quite systematically at the diffusion Monte Carlo level for these systems.

The interstellar medium (ISM) is all but empty. To date, more than 300 molecules have already been discovered. Because of the extremely low temperature, the gas-phase chemistry is dominated by barrierless exothermic reactions of radicals and ions. However, several abundant molecules and organic molecules cannot be produced efficiently by gas-phase reactions. To explain the existence of such molecules in the ISM, gas-surface interactions between small molecules and dust particles covered with amorphous solid water (ASW) mantles must be considered. In general, surface processes such as adsorption, diffusion, desorption, and chemical reactions can be linked to the binding energy of molecules to the surface. Hence, a lot of studies have been performed to identify the binding energies of interstellar molecules on ASW surfaces. Cosmic radiation and free electrons may induce a negative charge on the dust particles, and the binding energies may be affected by this charge. In this study, we calculate the binding energies of CO, CH4, and NH3, on neutral and charged ASW surfaces using DFT calculations. Our results indicate that CO can interact with the surface charge, increasing its binding energy. In contrast, the binding energy of CH4 remains unchanged in the presence of surface charge, and that of NH3 typically decreases.

Many hybrid quantum-classical algorithms for the application of ground state energy estimation in quantum chemistry involve estimating the expectation value of a molecular Hamiltonian with respect to a quantum state through measurements on a quantum device. To guide the selection of measurement methods designed for this observable estimation problem, we propose a benchmark called CSHOREBench (Common States and Hamiltonians for ObseRvable Estimation Benchmark) that assesses the performance of these methods against a set of common molecular Hamiltonians and common states encountered during the runtime of hybrid quantum-classical algorithms. In CSHOREBench, we account for resource utilization of a quantum computer through measurements of a prepared state, and a classical computer through computational runtime spent in proposing measurements and classical post-processing of acquired measurement outcomes. We apply CSHOREBench considering a variety of measurement methods on Hamiltonians of size up to 16 qubits. Our discussion is aided by using the framework of decision diagrams which provides an efficient data structure for various randomized methods and illustrate how to derandomize distributions on decision diagrams. In numerical simulations, we find that the methods of decision diagrams and derandomization are the most preferable. In experiments on IBM quantum devices against small molecules, we observe that decision diagrams reduces the number of measurements made by classical shadows by more than 80%, that made by locally biased classical shadows by around 57%, and consistently require fewer quantum measurements along with lower classical computational runtime than derandomization. Furthermore, CSHOREBench is empirically efficient to run when considering states of random quantum ansatz with fixed depth.

Classical machine learning (ML) provides a potentially powerful approach to solving challenging quantum many-body problems in physics and chemistry. However, the advantages of ML over more traditional methods have not been firmly established. In this work, we prove that classical ML algorithms can efficiently predict ground state properties of gapped Hamiltonians in finite spatial dimensions, after learning from data obtained by measuring other Hamiltonians in the same quantum phase of matter. In contrast, under widely accepted complexity theory assumptions, classical algorithms that do not learn from data cannot achieve the same guarantee. We also prove that classical ML algorithms can efficiently classify a wide range of quantum phases of matter. Our arguments are based on the concept of a classical shadow, a succinct classical description of a many-body quantum state that can be constructed in feasible quantum experiments and be used to predict many properties of the state. Extensive numerical experiments corroborate our theoretical results in a variety of scenarios, including Rydberg atom systems, 2D random Heisenberg models, symmetry-protected topological phases, and topologically ordered phases.

Synchronization in one dimension displays generic scale invariance with universal properties previously observed in surface kinetic roughening and the wider context of the Kardar-Parisi-Zhang (KPZ) universality class. This has been established for phase oscillators and also for some limit-cycle oscillators, both in the presence of columnar (quenched) disorder and of time-dependent noise, by extensive numerical simulations, and has been analytically motivated by continuum approximations in the strong oscillator coupling limit. The robustness and the precise boundaries in parameter space for such critical behavior remain unclear, however, which may preclude further developments, including the extension of these results to higher dimensions and the experimental observation of nonequilibrium criticality in synchronizing (e.g.~electronic or chemical) oscillators. We here present complete numerical phase diagrams of one-dimensional synchronization, including saturation times and values, but, most importantly, also dynamical features giving insight into the gradual emergence of synchronous dynamics, based on systems of phase oscillators with either type of randomness. In the absence of synchronization, the dynamics evolves as expected for random deposition (for time-dependent noise) or linear growth (for columnar disorder), while a crossover from Edwards-Wilkinson to Kardar-Parisi-Zhang behavior (with the corresponding type of randomness) is observed as the randomness strength, or the nonoddity of the coupling among oscillators, is increased in the synchronous region -- their combined effect being partially captured by the so-called KPZ coupling. The distortion of scaling due to phase slips near the desynchronization boundary, a feature that is likely to play a role in experimental contexts, is also discussed.

Comprehensive study using DC transport, specific heat, magnetization, and two-coil mutual inductance measurements unveils an understanding of three temperature regimes in SmB_6: (i) T geq T^{*} (sim66K), (ii) T_g (sim40 K) leq T < T^{*}, and (iii) T < T_g. Onset of Kondo breakdown below T^{*} releases disorder-driven magnetic fluctuations, which splits the bulk (sim116K) and surface Kondo temperature (T_k^{s} approx 7 K). Below T_g, as magnetic fluctuations subside, surface Kondo screening revives, stabilizing the topological surface state and generating an in-gap feature (sim2.2 meV) across which Dirac-like carriers are excited. Nyquist impedance analysis reveals a crossover from purely capacitive to capacitive-inductive behavior, signalling a disorder-driven two-fluid phase of heavy quasiparticles and light, high-mobility carriers below T_g. We identify a characteristic length scale, L_{ν_0}(T), associated with the high-mobility phase, exhibiting an almost divergent trend below T_k^{s}. These findings underscore the complex nature of the surface conducting state in SmB_6.

Quantum many-body scars (QMBS) are exotic many-body states that exhibit anomalous non-thermal behavior in an otherwise ergodic system. In this work, we demonstrate a simple, scalable and intuitive construction of QMBS in a kinetically constrained quantum model exhibiting weak Hilbert space fragmentation. We show that exact QMBS can be constructed by injecting a quasiparticle that partially activates the frozen regions in the lattice. Meanwhile, the inelastic collision between multiple quasiparticles allows for the construction of approximate scars, whose damping is governed by an emergent two-body loss. Our findings establish direct connections between quantum many-body scarring and Hilbert space fragmentation, paving the way for systematically constructing exact and approximate QMBS with nontrivial spatial connectivity. The proposed model can be readily implemented in neutral-atom quantum simulators aided by strong Rydberg interactions.

We investigate equilibration and generalized thermalization of the quantum Harmonic chain under local quantum quench. The quench action we consider is connecting two disjoint harmonic chains of different sizes and the system jumps between two integrable settings. We verify the validity of the Generalized Gibbs Ensemble description for this infinite dimensional Hilbert space system and also identify equilibration between the subsystems as in classical systems. Using Bogoliubov transformations, we show that the eigenstates of the system prior to the quench evolve towards the Gibbs Generalized Ensemble description. Eigenstates that are more delocalized (in the sense of inverse participation ratio) prior to the quench, tend to equilibrate more rapidly. Further, through the phase space properties of a Generalized Gibbs Ensemble and the strength of stimulated emission, we identify the necessary criterion on the initial states for such relaxation at late times and also find out the states which would potentially not be described by the Gibbs Generalized Ensemble description.

The structural stability and phonon properties of SnSe/SnS superlattices at finite temperatures have been studied using machine learning force field molecular dynamics and the anharmonic phonon approach. The vertical SnSe/SnS superlattice undergoes a phase transition from the Pnma phase to a novel P4/nmm phase at finite temperatures, which is different from the high-temperature Cmcm phase of the SnSe and SnS systems. The stability of P4/nmm phase is determined by molecular dynamics trajectories and anharmonic phonon dispersion relations. The imaginary modes of TO modes at the q=M(1/2,1/2,0) point of the P4/nmm phase in harmonic approximation become rigid at elevated temperatures. An analysis of phonon power spectra upon temperature also confirms the dynamic stabilization. The P4/nmm phase has higher symmetry than the Pnma phase, and the phase transition between them is accompanied by competition between the Jahn-Teller effect and phonon anharmonicity. Unlike the anisotropic distribution of Sn-Se/S bonds in the Pnma phase, the P4/nmm phase forms chemical bonds with similar bond lengths both in-plane and interlayer, and their resonance effect can significantly enhance phonon scattering. The calculated phonon density of states and lifetime is strongly temperature dependent, demonstrating the heavy anharmonicity in the SnSe/SnS system. The P4/nmm phase has an extremely low lattice thermal conductivity, close to the experimental values of SnSe and SnS. Moreover, with the reduction of band gap and the enhancement of band degeneracy near the Fermi level, the P4/nmm phase exhibits superior electronic transport properties and significantly enhanced response to infrared and visible light. This makes it show great potential in thermoelectric and photovoltaic applications.

Existing benchmarks measure capability -- whether a model succeeds on a single attempt -- but production deployments require reliability -- consistent success across repeated attempts on tasks of varying duration. We show these properties diverge systematically as task duration grows, and that pass@1 on short tasks is structurally blind to this divergence. We introduce a reliability science framework for long-horizon LLM agents with four metrics: Reliability Decay Curve (RDC), Variance Amplification Factor (VAF), Graceful Degradation Score (GDS), and Meltdown Onset Point (MOP). We evaluate 10 models across 23,392 episodes on a 396-task benchmark spanning four duration buckets and three domains. Key findings: (1) reliability decay is domain-stratified -- SE GDS drops from 0.90 to 0.44 while document processing is nearly flat (0.74 to 0.71); (2) VAF bifurcates by capability tier -- high VAF is a capability signature, not an instability signal; (3) capability and reliability rankings diverge substantially, with multi-rank inversions at long horizons; (4) frontier models have the highest meltdown rates (up to 19%) because they attempt ambitious multi-step strategies that sometimes spiral; and (5) memory scaffolds universally hurt long-horizon performance across all 10 models. These results motivate reliability as a first-class evaluation dimension alongside capability.

Approximations based on moment-closure (MA) are commonly used to obtain estimates of the mean molecule numbers and of the variance of fluctuations in the number of molecules of chemical systems. The advantage of this approach is that it can be far less computationally expensive than exact stochastic simulations of the chemical master equation. Here we numerically study the conditions under which the MA equations yield results reflecting the true stochastic dynamics of the system. We show that for bistable and oscillatory chemical systems with deterministic initial conditions, the solution of the MA equations can be interpreted as a valid approximation to the true moments of the CME, only when the steady-state mean molecule numbers obtained from the chemical master equation fall within a certain finite range. The same validity criterion for monostable systems implies that the steady-state mean molecule numbers obtained from the chemical master equation must be above a certain threshold. For mean molecule numbers outside of this range of validity, the MA equations lead to either qualitatively wrong oscillatory dynamics or to unphysical predictions such as negative variances in the molecule numbers or multiple steady-state moments of the stationary distribution as the initial conditions are varied. Our results clarify the range of validity of the MA approach and show that pitfalls in the interpretation of the results can only be overcome through the systematic comparison of the solutions of the MA equations of a certain order with those of higher orders.

We model and study the processes of excitation, absorption, and transfer in various networks. The model consists of a harmonic oscillator representing a single-mode radiation field, a qubit acting as an antenna, a network through which the excitation propagates, and a qubit at the end serving as a sink. We investigate how off-resonant excitations can be optimally absorbed and transmitted through the network. Three strategies are considered: optimising network energies, adjusting the couplings between the radiation field, the antenna, and the network, or introducing and optimising driving fields at the start and end of the network. These strategies are tested on three different types of network with increasing complexity: nearest-neighbour and star configurations, and one associated with the Fenna-Matthews-Olson complex. The results show that, among the various strategies, the introduction of driving fields is the most effective, leading to a significant increase in the probability of reaching the sink in a given time. This result remains stable across networks of varying dimensionalities and types, and the driving process requires only a few parameters to be effective.

I propose a version of quantum mechanics featuring a discrete and finite number of states that is plausibly a model of the real world. The model is based on standard unitary quantum theory of a closed system with a finite-dimensional Hilbert space. Given certain simple conditions on the spectrum of the Hamiltonian, Schr\"odinger evolution is periodic, and it is straightforward to replace continuous time with a discrete version, with the result that the system only visits a discrete and finite set of state vectors. The biggest challenges to the viability of such a model come from cosmological considerations. The theory may have implications for questions of mathematical realism and finitism.