Daily Papers

Recent advances in multimodal large language models unlock unprecedented opportunities for GUI automation. However, a fundamental challenge remains: how to efficiently acquire high-quality training data while maintaining annotation reliability? We introduce a self-evolving training pipeline powered by the Calibrated Step Reward System, which converts model-generated trajectories into reliable training signals through trajectory-level calibration, achieving >90% annotation accuracy with 10-100x lower cost. Leveraging this pipeline, we introduce Step-GUI, a family of models (4B/8B) that achieves state-of-the-art GUI performance (8B: 80.2% AndroidWorld, 48.5% OSWorld, 62.6% ScreenShot-Pro) while maintaining robust general capabilities. As GUI agent capabilities improve, practical deployment demands standardized interfaces across heterogeneous devices while protecting user privacy. To this end, we propose GUI-MCP, the first Model Context Protocol for GUI automation with hierarchical architecture that combines low-level atomic operations and high-level task delegation to local specialist models, enabling high-privacy execution where sensitive data stays on-device. Finally, to assess whether agents can handle authentic everyday usage, we introduce AndroidDaily, a benchmark grounded in real-world mobile usage patterns with 3146 static actions and 235 end-to-end tasks across high-frequency daily scenarios (8B: static 89.91%, end-to-end 52.50%). Our work advances the development of practical GUI agents and demonstrates strong potential for real-world deployment in everyday digital interactions.

Tool utilization enables Large Language Model (LLM) agents to interact with the real world and resolve complex tasks. However, existing agent frameworks predominantly rely on static toolsets composed of granular atomic actions (e.g., basic file I/O or single-turn search), which forces agents to reinvent low-level logic for every recurring workflow, leading to increased reasoning overhead and failure rates. In this study, we propose that agents can achieve self-evolution by synthesizing these atomic actions into reusable Standard Operating Procedures (SOPs), which function as callable higher-order tools that encapsulate multi-step logic. We further introduce EvoSOP, a framework that empowers agents to extract SOPs from execution trajectories and iteratively optimize the toolset through a systematic lifecycle of construction, merging, evaluation, and pruning. Extensive experiments demonstrate that EvoSOP significantly boosts task success rates while substantially reducing the number of interaction rounds compared to baselines. Our analysis also reveals that iterative tool optimization fosters reliable and efficient tool-use patterns, providing a scalable pathway for the development of self-evolving agents.

Synthetic data generation has become a cornerstone for advancing large language models. However, the lack of the quantitative analysis for error tolerance became a critical bottleneck. Consequently, current filtering strategies fluctuate between two extremes: they are either overly aggressive, risking the exclusion of potentially valuable samples, or overly permissive, failing to eliminate erroneous samples effectively. To bridge this gap, this paper introduces Atomic Tree Operation Modeling (ATOM), a framework that decomposes data into functional units (f(x)rightarrow y). ATOM distinguishes benign Operand x perturbations from fatal Operator f perturbations. The former are needlessly discarded by aggressive filtering, while the latter slip through permissive filtering. Our experiments reveal a double dissociation: models are robust to operand perturbations but collapse under operator perturbations. By prioritizing operator over aggressive operand precision, our ATOM-synthesized data outperforms rigorous baselines (e.g., +3.1% gain over LIMA), suggesting that operator diversity matters more than operand precision. Our code is available at https://github.com/Lut-hub/ATOM.

Neutral atoms are a promising platform for quantum science, enabling advances in areas ranging from quantum simulations and computation to metrology, atomic clocks and quantum networking. While atom losses typically limit these systems to a pulsed mode, continuous operation could substantially enhance cycle rates, remove bottlenecks in metrology, and enable deep-circuit quantum evolution through quantum error correction. Here we demonstrate an experimental architecture for high-rate reloading and continuous operation of a large-scale atom-array system while realizing coherent storage and manipulation of quantum information. Our approach utilizes a series of two optical lattice conveyor belts to transport atom reservoirs into the science region, where atoms are repeatedly extracted into optical tweezers without affecting the coherence of qubits stored nearby. Using a reloading rate of 300,000 atoms in tweezers per second, we create over 30,000 initialized qubits per second, which we leverage to assemble and maintain an array of over 3,000 atoms for more than 2 hours. Furthermore, we demonstrate persistent refilling of the array with atomic qubits in either a spin-polarized or a coherent superposition state while preserving the quantum state of stored qubits. Our results pave the way for the realization of large-scale continuously operated atomic clocks, sensors, and fault-tolerant quantum computers.

We present a compact design of dual-beam Zeeman slower optimized for efficient production of cold atom applications. Traditional single-beam configurations face challenges from substantial residual atomic flux impacting downstream optical windows, resulting in increased system size, atomic deposition contamination, and a reduced operational lifetime. Our approach employs two oblique laser beams and a capillary-array collimation system to address these challenges while maintaining efficient deceleration. For rubidium (^{87}Rb), simulations demonstrate a significant increase in the fraction of atoms captured by a two-dimensional magneto-optical trap (2D-MOT) and nearly eliminate atom-induced contamination probability at optical windows, all within a compact Zeeman slower length of 44 cm. Experimental validation with Rb and Yb demonstrates highly efficient atomic loading within the same compact design. This advancement represents a substantial improvement for high-flux cold atom applications, providing reliable performance for high-precision metrology, quantum computation and simulation.

The growing demand for Large Language Models (LLMs) in applications such as content generation, intelligent chatbots, and sentiment analysis poses considerable challenges for LLM service providers. To efficiently use GPU resources and boost throughput, batching multiple requests has emerged as a popular paradigm; to further speed up batching, LLM quantization techniques reduce memory consumption and increase computing capacity. However, prevalent quantization schemes (e.g., 8-bit weight-activation quantization) cannot fully leverage the capabilities of modern GPUs, such as 4-bit integer operators, resulting in sub-optimal performance. To maximize LLMs' serving throughput, we introduce Atom, a low-bit quantization method that achieves high throughput improvements with negligible accuracy loss. Atom significantly boosts serving throughput by using low-bit operators and considerably reduces memory consumption via low-bit quantization. It attains high accuracy by applying a novel mixed-precision and fine-grained quantization process. We evaluate Atom on 4-bit weight-activation quantization setups in the serving context. Atom improves end-to-end throughput by up to 7.73times compared to the FP16 and by 2.53times compared to INT8 quantization, while maintaining the same latency target.

Lattice surgery with two-dimensional quantum error correcting codes is among the leading schemes for fault-tolerant quantum computation, motivated by superconducting hardware architectures. In conventional lattice surgery compilation schemes, logical circuits are compiled following a place-and-route paradigm, where logical qubits remain statically fixed in space throughout the computation. In this work, we introduce a paradigm shift by exploiting movable logical qubits via teleportation during the logical lattice surgery CNOT gate. Focusing on lattice surgery with the color code, we propose a proof-of-concept compilation scheme that leverages this capability. Numerical simulations show that the proposed approach can substantially reduce the routed circuit depth compared to standard place-and-route compilation techniques. Our results demonstrate that optimizations based on movable logical qubits are not limited to architectures with physically movable qubits, such as neutral atoms or trapped ions - they are also readily applicable to superconducting quantum hardware. An open-source implementation of our method is available on GitHub https://github.com/munich-quantum-toolkit/qecc.

Large Language Model (LLM) agents rely on external tools to perform multistage tasks. Existing agent frameworks typically assume that tool calls are atomic and return binary success or failure signals. However, real-world systems exhibit non-atomic behaviors such as timeouts after dispatch, delayed visibility, and partial state updates. These mismatches lead to reliability issues including duplicate actions, task success, and unnecessary tool executions. A lightweight, verification-aware tool wrapper is introduced that augments tool calls with postcondition verification, verify-before-retry logic, and idempotency keys. The approach is evaluated in a controlled simulated environment with injected non-atomic failures across multiple task templates. The results demonstrate that the proposed method significantly reduces duplicate actions, while maintaining comparable task success rates. Overall, the findings suggest that strengthening tool interaction semantics is a promising direction for improving LLM agent reliability without requiring modifications to the underlying language model.

This paper provides a novel approach to reconciling complex low-level memory model features, such as pointer--integer casts, with desired refinements that are needed to justify the correctness of program transformations. The idea is to use a "two-phased" memory model, one with and unbounded memory and corresponding unbounded integer type, and one with a finite memory; the connection between the two levels is made explicit by our notion of refinement that handles out-of-memory behaviors. This approach allows for more optimizations to be performed and establishes a clear boundary between the idealized semantics of a program and the implementation of that program on finite hardware. To demonstrate the utility of this idea in practice, we instantiate the two-phase memory model in the context of Zakowski et al.'s VIR semantics, yielding infinite and finite memory models of LLVM IR, including low-level features like undef and bitcast. Both the infinite and finite models, which act as specifications, can provably be refined to executable reference interpreters. The semantics justify optimizations, such as dead-alloca-elimination, that were previously impossible or difficult to prove correct.

Large Language Models (LLMs) have exhibited significant potential in performing diverse tasks, including the ability to call functions or use external tools to enhance their performance. While current research on function calling by LLMs primarily focuses on single-turn interactions, this paper addresses the overlooked necessity for LLMs to engage in multi-turn function calling--critical for handling compositional, real-world queries that require planning with functions but not only use functions. To facilitate this, we introduce an approach, BUTTON, which generates synthetic compositional instruction tuning data via bottom-up instruction construction and top-down trajectory generation. In the bottom-up phase, we generate simple atomic tasks based on real-world scenarios and build compositional tasks using heuristic strategies based on atomic tasks. Corresponding functions are then developed for these compositional tasks. The top-down phase features a multi-agent environment where interactions among simulated humans, assistants, and tools are utilized to gather multi-turn function calling trajectories. This approach ensures task compositionality and allows for effective function and trajectory generation by examining atomic tasks within compositional tasks. We produce a dataset BUTTONInstruct comprising 8k data points and demonstrate its effectiveness through extensive experiments across various LLMs.

Serving Large Language Models (LLMs) is critical for AI-powered applications but demands substantial computational resources, particularly in memory bandwidth and computational throughput. Low-precision computation has emerged as a key technique to improve efficiency while reducing resource consumption. Existing approaches for generating low-precision kernels are limited to weight bit widths that are powers of two and suffer from suboptimal performance due to high-level GPU programming abstractions. These abstractions restrict critical optimizations, such as fine-grained register management and optimized memory access patterns, which are essential for efficient low-precision computations. In this paper, we introduce a virtual machine (VM) designed for General-Purpose GPU (GPGPU) computing, enabling support for low-precision data types with arbitrary bit widths while maintaining GPU programmability. The proposed VM features a thread-block-level programming model, a hierarchical memory space, a novel algebraic layout system, and extensive support for diverse low-precision data types. VM programs are compiled into highly efficient GPU programs with automatic vectorization and instruction selection. Extensive experiments demonstrate that our VM efficiently supports a full spectrum of low-precision data types, and outperforms state-of-the-art low-precision kernels on their supported types. Compared to existing compilers like Triton and Ladder, as well as hand-optimized kernels such as QuantLLM and Marlin, our VM achieves performance improvements of 1.75x, 2.61x, 1.29x and 1.03x, respectively.

Efficient quantum compiling tactics greatly enhance the capability of quantum computers to execute complicated quantum algorithms. Due to its fundamental importance, a plethora of quantum compilers has been designed in past years. However, there are several caveats to current protocols, which are low optimality, high inference time, limited scalability, and lack of universality. To compensate for these defects, here we devise an efficient and practical quantum compiler assisted by advanced deep reinforcement learning (RL) techniques, i.e., data generation, deep Q-learning, and AQ* search. In this way, our protocol is compatible with various quantum machines and can be used to compile multi-qubit operators. We systematically evaluate the performance of our proposal in compiling quantum operators with both inverse-closed and inverse-free universal basis sets. In the task of single-qubit operator compiling, our proposal outperforms other RL-based quantum compilers in the measure of compiling sequence length and inference time. Meanwhile, the output solution is near-optimal, guaranteed by the Solovay-Kitaev theorem. Notably, for the inverse-free universal basis set, the achieved sequence length complexity is comparable with the inverse-based setting and dramatically advances previous methods. These empirical results contribute to improving the inverse-free Solovay-Kitaev theorem. In addition, for the first time, we demonstrate how to leverage RL-based quantum compilers to accomplish two-qubit operator compiling. The achieved results open an avenue for integrating RL with quantum compiling to unify efficiency and practicality and thus facilitate the exploration of quantum advantages.

We discuss an effective paradigm of utilizing AI agents to better compile quantum circuits when one can constrain bottleneck subroutines to have some form of classically verifiable structure. For example, when critical subroutines are composed exclusively of reversible classical logic, phasing operations, and measurement based uncomputation, one can efficiently simulate execution for classical inputs. This property facilitates efficient certification of approximate circuit synthesis via a form of fuzz testing, provided suitable assumptions on the input distribution. While this pattern was recently exploited to improve quantum cryptanalysis circuits, here we highlight the flexibility of the broader approach by discussing three important applications. (1) The computation of 1/x that bottlenecks real space simulations of the Coulomb operator such as those important for modeling inertial confinement fusion reactors. (2) The decoding of Reed-Solomon codes which bottlenecks the decoded quantum interferometry algorithm when used to approximately solve the optimal polynomial intersection problem. And (3) the quantum look-up tables and controlled application of Givens rotations that bottleneck the most performant quantum algorithms for simulating chemistry in second quantization. We discuss reference implementations of these algorithms and how they can be constrained and verified in the interest of seeding a Kaggle competition designed to accelerate AI-based research into the optimization of their compilation.

We report on the trapping of single rubidium atoms in large arrays of optical tweezers comprising up to 2088 sites in a cryogenic environment at 6 K. Our approach relies on the use of microscope objectives that are in-vacuum but at room temperature, in combination with windowless thermal shields into which the objectives are protruding to ensure a cryogenic environment for the trapped atoms. To achieve enough optical power for efficient trapping, we combine two lasers at slightly different wavelengths. We discuss the performance and limitations of our design. Finally, we demonstrate atom-by-atom rearrangement of an 828-atom target array using moving optical tweezers controlled by a field-programmable gate array.

Quantum algorithms are usually described as monolithic circuits, becoming large at modest input size. Near-term quantum architectures can only manage a small number of qubits. We develop an automated method to distribute quantum circuits over multiple agents, minimising quantum communication between them. We reduce the problem to hypergraph partitioning and then solve it with state-of-the-art optimisers. This makes our approach useful in practice, unlike previous methods. Our implementation is evaluated on five quantum circuits of practical relevance.

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.

Tool-augmented LLM agents commonly rely on step-wise atomic tool calls, where each invocation, observation, and value transfer is exposed in the main reasoning trace. This creates an execution-granularity mismatch: locally deterministic tool workflows are unfolded into repeated model-visible decisions, consuming context and forcing the model to manage low-level dataflow in the trace. We introduce HyperTool, a unified executable MCP-style tool interface that changes the model-visible unit of tool execution. A model invokes HyperTool with a code block that can call existing tools through their original schemas, manipulate returned values, and pass intermediate results locally, folding deterministic tool subroutines into a single outer call. To train models to use this interface, we synthesize HyperTool-format trajectories from cross-tool compositional tasks and verify them in real MCP environments. On MCP-Universe, HyperTool improves average accuracy from 15.69\% to 35.29\% on Qwen3-32B and from 9.93\% to 33.33\% on Qwen3-8B, and surpass GPT-OSS and Kimi-k2.5 on average accuracy, showing that our HyperTool can substantially improve multi-step tool use.

The key challenge in the noisy intermediate-scale quantum era is finding useful circuits compatible with current device limitations. Variational quantum algorithms (VQAs) offer a potential solution by fixing the circuit architecture and optimizing individual gate parameters in an external loop. However, parameter optimization can become intractable, and the overall performance of the algorithm depends heavily on the initially chosen circuit architecture. Several quantum architecture search (QAS) algorithms have been developed to design useful circuit architectures automatically. In the case of parameter optimization alone, noise effects have been observed to dramatically influence the performance of the optimizer and final outcomes, which is a key line of study. However, the effects of noise on the architecture search, which could be just as critical, are poorly understood. This work addresses this gap by introducing a curriculum-based reinforcement learning QAS (CRLQAS) algorithm designed to tackle challenges in realistic VQA deployment. The algorithm incorporates (i) a 3D architecture encoding and restrictions on environment dynamics to explore the search space of possible circuits efficiently, (ii) an episode halting scheme to steer the agent to find shorter circuits, and (iii) a novel variant of simultaneous perturbation stochastic approximation as an optimizer for faster convergence. To facilitate studies, we developed an optimized simulator for our algorithm, significantly improving computational efficiency in simulating noisy quantum circuits by employing the Pauli-transfer matrix formalism in the Pauli-Liouville basis. Numerical experiments focusing on quantum chemistry tasks demonstrate that CRLQAS outperforms existing QAS algorithms across several metrics in both noiseless and noisy environments.

Fault tolerant quantum computers greatly benefit from having both high fidelity entangling gates and a non-local qubit connectivity. However, most entangling gates for neutral atoms are local, requiring separated atoms to be moved using optical tweezers to yield entanglement between them. Here, we design a high fidelity Mølmer Sørensen-like entangling gate between neutral atoms coupled to a photonic cavity, enabling a programmable all-to-all connectivity through the shared cavity coupling. The gate is both robust to changes in cavity photon number, and enables selective entanglement between any subset of separated atoms through local laser addressing. This eliminates the need to physically move atoms to perform the gate, and therefore motional errors and erasure are suppressed. Using experimentally realistic parameters we demonstrate gate fidelities exceeding F > 0.99, with higher fidelities achievable through optimal control of the pump amplitudes.

Can Large Language Models (LLMs) understand and reason about quantum operators? Despite their remarkable capabilities in mathematics and symbolic reasoning, LLMs remain inherently blind to quantum representations such as unitary matrices. In this work, we take a step toward bridging this gap by introducing an approach that maps unitary operators into the latent space of an LLM, enabling unified modeling over quantum and linguistic inputs. We instantiate this idea on Clifford+T circuit synthesis over a Pauli rotation gate set, where our model achieves results competitive with state-of-the-art methods and scales consistently with training data, with no signs of saturation. Our approach further enables language-conditioned synthesis, allowing gate constraints unseen during training to be specified directly in natural language. This work suggests a path toward quantum--aware foundation models that can natively interpret and reason about quantum operations, which could have broader implications reaching across quantum compilation and algorithm discovery.

We present an experimental implementation of the multiplayer Quantum Volunteer's Dilemma on noisy intermediate-scale quantum (NISQ) hardware, executed on the ibm_kingston backend via Qiskit Runtime. The game is evaluated for N = 2 to 9 players under four transpiler optimization levels, with 20 independent repetitions per configuration and 2048 shots per circuit, including post-processing readout error correction via mthree. Target-state fidelity decays with system size but remains above 70% (corrected) through N = 9. With readout correction, the global average payoff reproduces the quantum theoretical benchmark exactly for N <= 6 and exceeds the classical Nash equilibrium across the full tested range. Optimization level 2 is selected as the reference configuration after gate count analysis reveals that levels 2 and 3 produce identical transpiled circuits, with level 2 achieving superior fidelity stability. A Hamming distance analysis of raw measurement counts shows that single-qubit errors dominate at small N, with multi-qubit contributions growing beyond N = 6. A calibration-based digital twin captures global payoff trends but exhibits a linear fidelity decay profile that diverges from the hardware behavior at large N, exposing the limits of first-order independent per-qubit noise models. These results demonstrate that aggregate quantum advantage in multiplayer games is robust to NISQ noise conditions across the full tested range, while the practical observability of state-level advantage is constrained to N <= 8 under post-processed readout correction.

Slater-type orbitals (STOs) provide the physically correct description of atomic wavefunctions but have been largely replaced by Gaussian-type orbitals in computational chemistry due to the lack of closed-form multi-center integrals. We present a systematic study of amplitude encoding of STOs on quantum computers using matrix product states (MPS). For one-dimensional orbital functions of the form p_d(x) e^{-ζx}, we derive analytical MPS constructions with constant bond dimension χ= d + 1, requiring O(n) classical and quantum resources for n-qubit registers with no grid sampling. We demonstrate a complete one-electron integral pipeline -- overlap, kinetic energy, and nuclear attraction -- in one dimension, validating the overlap and kinetic energy on IBM Heron processors at 5~qubits with 0.67\% hardware-induced error using Zero-Noise Extrapolation. In three dimensions, we compute multi-center overlap integrals between 1s and 2s orbitals in Cartesian coordinates with 0.02\% discretization error at 18~qubits. A systematic entanglement analysis reveals that the MPS bond dimension of three-dimensional STOs in Cartesian coordinates saturates with increasing grid resolution -- reaching sim138 for the hydrogen 1s orbital at 12~qubits per coordinate -- establishing bounded encoding complexity rather than the exponential scaling initially expected. The SVD truncation threshold provides a practical resource parameter, reducing the bond dimension to 39 at threshold 10^{-6} with negligible accuracy loss. These results map the entanglement landscape for amplitude encoding of atomic orbitals and establish MPS-based state preparation as a viable path toward exact STO basis sets on quantum computers.

We introduce AQCtensor, a novel algorithm to produce short-depth quantum circuits from Matrix Product States (MPS). Our approach is specifically tailored to the preparation of quantum states generated from the time evolution of quantum many-body Hamiltonians. This tailored approach has two clear advantages over previous algorithms that were designed to map a generic MPS to a quantum circuit. First, we optimize all parameters of a parametric circuit at once using Approximate Quantum Compiling (AQC) - this is to be contrasted with other approaches based on locally optimizing a subset of circuit parameters and "sweeping" across the system. We introduce an optimization scheme to avoid the so-called ``orthogonality catastrophe" - i.e. the fact that the fidelity of two arbitrary quantum states decays exponentially with the number of qubits - that would otherwise render a global optimization of the circuit impractical. Second, the depth of our parametric circuit is constant in the number of qubits for a fixed simulation time and fixed error tolerance. This is to be contrasted with the linear circuit Ansatz used in generic algorithms whose depth scales linearly in the number of qubits. For simulation problems on 100 qubits, we show that AQCtensor thus achieves at least an order of magnitude reduction in the depth of the resulting optimized circuit, as compared with the best generic MPS to quantum circuit algorithms. We demonstrate our approach on simulation problems on Heisenberg-like Hamiltonians on up to 100 qubits and find optimized quantum circuits that have significantly reduced depth as compared to standard Trotterized circuits.

Current LLM coding agents are predominantly trained on composite benchmarks (e.g., bug fixing), which often leads to task-specific overfitting and limited generalization. To address this, we propose a novel scaling paradigm that shifts the focus from task-level optimization to atomic skill mastery. We first formalize five fundamental atomic skills, code localization, code editing, unit-test generation, issue reproduction, and code review, that serve as the basis vectors for complex software engineering tasks. Compared with composite coding tasks, these atomic skills are more generalizable and composable. Then, we scale coding agents by performing joint RL over atomic skills. In this manner, atomic skills are consistently improved without negative interference or trade-offs between them. Notably, we observe that improvements in these atomic skills generalize well to other unseen composite coding tasks, such as bug-fixing, code refactoring, machine learning engineering, and code security. The observation motivates a new scaling paradigm for coding agents by training with atomic skills. Extensive experiments demonstrate the effectiveness of our proposed paradigm. Notably, our joint RL improves average performance by 18.7% on 5 atomic skills and 5 composite tasks.

We introduce Orb-v3, the next generation of the Orb family of universal interatomic potentials. Models in this family expand the performance-speed-memory Pareto frontier, offering near SoTA performance across a range of evaluations with a >10x reduction in latency and > 8x reduction in memory. Our experiments systematically traverse this frontier, charting the trade-off induced by roto-equivariance, conservatism and graph sparsity. Contrary to recent literature, we find that non-equivariant, non-conservative architectures can accurately model physical properties, including those which require higher-order derivatives of the potential energy surface. This model release is guided by the principle that the most valuable foundation models for atomic simulation will excel on all fronts: accuracy, latency and system size scalability. The reward for doing so is a new era of computational chemistry driven by high-throughput and mesoscale all-atom simulations.

Predicting chemical reactions in biomolecules is challenging because reactive centers are embedded within complex environments that strongly influence their energetics and mechanisms. Here, we present a hybrid quantum-classical workflow that combines molecular dynamics, density functional theory, and correlated wavefunction methods, tightly integrating CPUs, GPUs, and quantum processing units (QPUs) to enable simulations across multiple length and accuracy scales. We apply this approach to ADGRG1 autoproteolysis, a maturation reaction in an adhesion G protein-coupled receptor that has not previously been studied using correlated electronic-structure methods. Our simulations treat a biologically realistic system containing more than one million atoms, including the full-length uncleaved receptor embedded in an endoplasmic-reticulum membrane, while incorporating a 54-qubit IQM quantum processor and up to 1,200 NVIDIA H100 GPUs. These results demonstrate how quantum computers can serve as accelerators within scalable scientific workflows, extending correlated electronic-structure methods to biologically relevant systems.

LLM-based agents have shown strong potential for solving complex multi-step tasks, yet existing performance improvements often rely on either scaling to larger backbone models or task-specific fine-tuning. The former incurs substantial computational costs, while the latter typically generalizes poorly across different tasks. Although prompt-based control is training-free and broadly applicable, existing methods still leave input-output dependencies between subtasks implicit in textual trajectories, making verified intermediate results difficult to reuse. To address these limitations, we propose Atomic Task Graph (ATG), a unified control framework for planning and execution. Specifically, ATG maintains an explicit graph to expose dependencies and support reuse. During planning, it recursively decomposes a high-level task into subtasks, forming a sequence of directed acyclic graphs (DAGs) whose evolution can be traced. During execution, the dependencies exposed by ATG allow independent branches to be executed in parallel, thereby improving execution efficiency. When failures are detected, ATG leverages the graph evolution history to localize the error source and repair only the affected region, preserving validated regions unchanged. Experiments show that ATG consistently outperforms strong baselines in success rate and execution efficiency across three interactive benchmarks using only 7B-8B backbones.

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to these interacting fermion problems has exponential cost, while Monte Carlo methods are plagued by the fermionic sign problem. These limitations of classical computational methods have made even few-atom molecular structures problems of practical interest for medium-sized quantum computers. Yet, thus far experimental implementations have been restricted to molecules involving only Period I elements. Here, we demonstrate the experimental optimization of up to six-qubit Hamiltonian problems with over a hundred Pauli terms, determining the ground state energy for molecules of increasing size, up to BeH2. This is enabled by a hardware-efficient variational quantum eigensolver with trial states specifically tailored to the available interactions in our quantum processor, combined with a compact encoding of fermionic Hamiltonians and a robust stochastic optimization routine. We further demonstrate the flexibility of our approach by applying the technique to a problem of quantum magnetism. Across all studied problems, we find agreement between experiment and numerical simulations with a noisy model of the device. These results help elucidate the requirements for scaling the method to larger systems, and aim at bridging the gap between problems at the forefront of high-performance computing and their implementation on quantum hardware.

Significant efforts are currently being directed toward the implementation of large-scale quantum information processors, but realizing useful quantum advantage also requires the development of efficient quantum algorithms. While for many practical problems the dominant resource costs are associated with a small set of computational primitives, optimizing them in the quantum setting presents unique challenges, including a reversibility constraint absent from ordinary classical computation. Here we introduce an evolutionary framework in which large language models (LLMs) propose circuit designs and an independent evaluator verifies and scores them. We apply this framework to tasks spanning numerical computation, chemistry, optimization, quantum simulation, and number theory. In seven of the eight tasks, the discovered circuits significantly reduce both Toffoli and qubit counts relative to the state of the art. In the eighth, the search discovers a new reversible architecture for prime-field modular inversion. By handling reversibility differently, the architecture makes divsteps -- a classical algorithm previously impractical for reversible integer arithmetic -- viable and substantially improves the Toffoli-qubit trade-off for modular inversion. These results open the door for evaluator-guided LLM co-design of new algorithmic structures for quantum computation.

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.

LLM agents need memory to act consistently over long interactions, yet many systems use additional LLM calls to operate that memory. Generating intermediate records and mediating their retrieval adds recurring token and time costs, while omitted or merged details can obscure the original evidence. We ask whether structured memory access requires generation at all. Zero-Mem introduces zero-token memory operations: no step outside final question answering invokes an LLM or consumes LLM input or output tokens; encoder computation is accounted for separately. Zero-Mem preserves original interaction traces as its source of record. It organizes the traces in two complementary ways. An entity--context graph exposes connections across interactions, while a temporal hierarchy preserves conversational locality and session state. For each query, Zero-Mem weighs the two views, retrieves from both, and follows their structure to recover supporting relations or surrounding context. Deterministic calibration first discards conflicting evidence and then keeps the reader's answer grounded in the retrieved traces. Only the final-QA reader invokes an LLM. Across long-memory and long-context question-answering benchmarks, Zero-Mem achieves competitive performance while eliminating LLM calls and LLM-token consumption from memory operations. With the same final-QA reader and context budget, it reduces memory-operation time cost by 57.6\% relative to the fastest compared baseline. Ablations support the contribution of the two views and their query-dependent coordination. Overall, the results show that structured agent memory need not generate an intermediate representation of the past. After peer review, the code and implementation details will be available at blue{https://github.com/TheMoon0815/Zero-mem}.

Machine-learned interatomic potentials distilled from foundation models enable fast large-scale molecular dynamics (MD), but they can fail locally in chemical environments that their training data did not sample. System-averaged error metrics and small random audits often miss such sparse or isolated failures. Here we use an exact equivariant foundation model, MACE-MPA-0, to check every atom of million-atom production simulations. Reorganizing two-layer MACE inference into a receiver-chunked three-pass schedule that keeps no per-edge intermediates resident reduces the marginal memory per atom 340-fold, evaluates up to 2.86times10^{7} atoms on a single H200 GPU, and supervises 10^{6}-atom trajectories in LAMMPS at 1.3% of the run time. Distilled MACE students run four to nine times slower than NEP89 with 0.95-1.28 times the teacher's force error against density functional theory (DFT). In molten SiO_2, whole-system checks uncover a persistent tail of under-coordinated atoms hidden by the system-averaged error and an isolated, unphysical O-O contact that a 1% random audit misses 94% of the time. On-the-fly retraining on teacher-labelled 13-Å clusters, with the force loss restricted to their inner 6 Å, removes three quarters of the failure tail and the kilobar-level pressure biases in SiO_2 and compressed water; the repair converges to the teacher, not to DFT.

We propose and experimentally demonstrate sequential quantum computing (SQC), a paradigm that utilizes multiple homogeneous or heterogeneous quantum processors in hybrid classical-quantum workflows. In this manner, we are able to overcome the limitations of each type of quantum computer by combining their complementary strengths. Current quantum devices, including analog quantum annealers and digital quantum processors, offer distinct advantages, yet face significant practical constraints when individually used. SQC addresses this by efficient inter-processor transfer of information through bias fields. Consequently, measurement outcomes from one quantum processor are encoded in the initial-state preparation of the subsequent quantum computer. We experimentally validate SQC by solving a combinatorial optimization problem with interactions up to three-body terms. A D-Wave quantum annealer utilizing 678 qubits approximately solves the problem, and an IBM's 156-qubit digital quantum processor subsequently refines the obtained solutions. This is possible via the digital introduction of non-stoquastic counterdiabatic terms unavailable to the analog quantum annealer. The experiment shows a substantial reduction in computational resources and improvement in the quality of the solution compared to the standalone operations of the individual quantum processors. These results highlight SQC as a powerful and versatile approach for addressing complex combinatorial optimization problems, with potential applications in quantum simulation of many-body systems, quantum chemistry, among others.

To realize the full potential of quantum computers, we must mitigate qubit errors by developing noise-aware algorithms, compilers, and architectures. Thus, simulating quantum programs on high-performance computing (HPC) systems with different noise models is a de facto tool researchers use. Unfortunately, noisy simulators iteratively execute a similar circuit for thousands of trials, thereby incurring significant performance overheads. To address this, we propose a noisy simulation technique called Tree-Based Quantum Circuit Simulation (TQSim). TQSim exploits the reusability of intermediate results during the noisy simulation, reducing computation. TQSim dynamically partitions a circuit into several subcircuits. It then reuses the intermediate results from these subcircuits during computation. Compared to a noisy Qulacs-based baseline simulator, TQSim achieves a speedup of up to 3.89x for noisy simulations. TQSim is designed to be efficient with multi-node setups while also maintaining tight fidelity bounds.

Multi-controlled single-target (MC) gates are some of the most crucial building blocks for varied quantum algorithms. How to implement them optimally is thus a pivotal question. To answer this question in an architecture-independent manner, and to get a worst-case estimate, we should look at a linear nearest-neighbor (LNN) architecture, as this can be embedded in almost any qubit connectivity. Motivated by the above, here we describe a method which implements MC gates using no more than sim 4k+8n CNOT gates -- up-to 60% reduction over state-of-the-art -- while allowing for complete flexibility to choose the locations of n controls, the target, and a dirty ancilla out of k qubits. More strikingly, in case k approx n, our upper bound is sim 12n -- the best known for unrestricted connectivity -- and if n = 1, our upper bound is sim 4k -- the best known for a single long-range CNOT gate over k qubits -- therefore, if our upper bound can be reduced, then the cost of one or both of these simpler versions of MC gates will be immediately reduced accordingly. In practice, our method provides circuits that tend to require fewer CNOT gates than our upper bound for almost any given instance of MC gates.

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.

Data refinement involves executing multi-step recipes over evolving text states, where both composition and execution order of processing operators determine the outcome. While existing benchmarks either isolate text editing or entangle it with code and tool execution, it remains unclear whether LLMs can directly and faithfully execute these compositional, order-sensitive data refinement recipes. To fill this gap, we introduce CDR-Bench, a comprehensive benchmark featuring 3,462 high-quality tasks spanning four real-world data refinement domains and 29 distinct operators. Our benchmark evaluates models across atomic, order-agnostic, and order-sensitive settings, leveraging deterministic reference outputs to enable exact evaluation. Experiments on 10+ state-of-the-art LLMs reveal consistent failure patterns: performance degrades sharply in compositional settings, and order-sensitive recipe success collapses. These findings underline that current LLMs lack the procedural faithfulness required for reliable compositional data refinement.

This work describes the theoretical foundation for all quantum chemistry functionality in PennyLane, a quantum computing software library specializing in quantum differentiable programming. We provide an overview of fundamental concepts in quantum chemistry, including the basic principles of the Hartree-Fock method. A flagship feature in PennyLane is the differentiable Hartree-Fock solver, allowing users to compute exact gradients of molecular Hamiltonians with respect to nuclear coordinates and basis set parameters. PennyLane provides specialized operations for quantum chemistry, including excitation gates as Givens rotations and templates for quantum chemistry circuits. Moreover, built-in simulators exploit sparse matrix techniques for representing molecular Hamiltonians that lead to fast simulation for quantum chemistry applications. In combination with PennyLane's existing methods for constructing, optimizing, and executing circuits, these methods allow users to implement a wide range of quantum algorithms for quantum chemistry. We discuss how PennyLane can be used to implement variational algorithms for calculating ground-state energies, excited-state energies, and energy derivatives, all of which can be differentiated with respect to both circuit and Hamiltonian parameters. We provide an example workflow describing how to jointly optimize circuit parameters, nuclear coordinates, and basis set parameters for quantum chemistry algorithms. We discuss a functionality for reducing the number of qubits by using symmetries and explain how PennyLane can be used to estimate quantum resources needed to implement several quantum algorithms. By combining insights from quantum computing, computational chemistry, and machine learning, PennyLane is the first library for differentiable quantum computational chemistry.

Generalized code surgery is a versatile and low-overhead technique for performing fault-tolerant computation on quantum low-density parity-check (qLDPC) codes. In many settings, surgery exhibits practical space overheads, while its time overhead remains a bottleneck at O(d) syndrome rounds per operation. In this work, we construct surgery gadgets that perform parallel logical measurements on 2D hypergraph product codes in constant time overhead (O(1)) and near-constant space overhead (O(1)). The reduced time overhead is a result of amortization, as we show, following the formulation by Cowtan et al. (arXiv:2510.14895), that performing d surgery operations in O(d) time is fault tolerant. Our gadgets combine the strengths of different approaches to fault-tolerant logical operations: they partially retain the flexibility of surgery while achieving overheads comparable to transversal gates. Consequently, they are well-suited for near-term experimental realization and demonstrate new possibilities in the design of gadgets for fast logical computation.

Efficiently compiling quantum operations remains a major bottleneck in scaling quantum computing. Today's state-of-the-art methods achieve low compilation error by combining search algorithms with gradient-based parameter optimization, but they incur long runtimes and require multiple calls to quantum hardware or expensive classical simulations, making their scaling prohibitive. Recently, machine-learning models have emerged as an alternative, though they are currently restricted to discrete gate sets. Here, we introduce a multimodal denoising diffusion model that simultaneously generates a circuit's structure and its continuous parameters for compiling a target unitary. It leverages two independent diffusion processes, one for discrete gate selection and one for parameter prediction. We benchmark the model over different experiments, analyzing the method's accuracy across varying qubit counts, circuit depths, and proportions of parameterized gates. Finally, by exploiting its rapid circuit generation, we create large datasets of circuits for particular operations and use these to extract valuable heuristics that can help us discover new insights into quantum circuit synthesis.

We present a tool QSeqSim, a Qiskit-integrated symbolic backend that fills the current gap of having no Qiskit-native support for simulating while-loop quantum programs and their induced sequential quantum circuits. QSeqSim takes Qiskit QuantumCircuit objects, translates them into OpenQASM 3 code, and organises the resulting program into a combination of combinational, dynamic, and sequential circuits, thereby assigning while-loops a precise sequential circuit semantics with explicit internal and external qubits. Building on this semantics, QSeqSim adopts a Binary Decision Diagram (BDD)-based symbolic representation and integrates weighted model counting to compute measurement probabilities efficiently by exploiting sharing in structured and sparse BDDs. On top of this Boolean backbone, it introduces dedicated symbolic operators for state composition and state retention, thereby enabling efficient symbolic execution of sequential quantum circuits. Our experiments demonstrate that QSeqSim scales to substantial while-induced sequential circuits; in particular, in the quantum random walk benchmark we successfully simulate circuits with over 1000 qubits for more than 10 loop iterations. QSeqSim is available at https://github.com/Veri-Q/QSeqSim.

Long-horizon problem solving and scientific research require computation to accumulate across successive attempts. Partial solutions, experimental findings, and unsuccessful approaches can inform later work, yet most inference-time computation is organized around individual trajectories or candidates rather than a persistent body of reusable work. We call this paradigm compounding inference: organizing inference-time computation so that intermediate work persists and can be inspected, extended, combined, or challenged by subsequent computation. We instantiate compounding inference in GitSwarm, an asynchronous system where homogeneous agents independently decide how to advance a task while collaborating through structured persistent memory. Agents explore, experiment, verify, refine, and synthesize previous work in a shared, branch-able Git repository. Atomic commits preserve intermediate artifacts, while explicit semantic dependencies record how later contributions build on work across branches. We evaluate GitSwarm on long-horizon problem solving and sustained GPU-backed experimental research. On IMOProofBench-Advanced, GitSwarm solves all 30 problems in one run using GPT-5.5. On ProgramBench, it achieves a 79.4% mean score, versus 65.1% for the strongest reported baseline under the stated budget. On three neural architecture research tasks (Residual Matrix Transformer, Looped Transformer, NanoChat), GitSwarm improves upon the starting architectures through successive experimentation. Beyond final performance, we measure whether computation accumulates: on ProgramBench, 94.7% of contributions are subsequently built upon, while the selected solution's ancestry covers 82-93% of the contribution graph. These results show that inference-time computation can accumulate across otherwise independent episodes, forming an evolving body of work that subsequent inference can reuse.

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.

Quantum computation is inherently hybrid, and fast classical manipulation of qubit operators is necessary to ensure scalability in quantum software. We introduce PauliEngine, a high-performance C++ framework that provides efficient primitives for Pauli string multiplication, commutators, symbolic phase tracking, and structural transformations. Built on a binary symplectic representation and optimized bit-wise operations, PauliEngine supports both numerical and symbolic coefficients and is accessible through a Python interface. Runtime benchmarks demonstrate substantial speedups over state-of-the-art implementations. PauliEngine provides a scalable backend for operator-based quantum software tools and simulations.

The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian Hamiltonian. Quantum computing, particularly for quantum many-body systems, offers a promising alternative, especially within the constraints of current noisy intermediate-scale quantum (NISQ) devices. This work aims to simulate nuclear resonances using quantum algorithms by developing a variational framework compatible with non-Hermitian Hamiltonians and implementing it fully on a quantum simulator. We employ the complex scaling technique to extract resonance positions classically and adapt it for quantum simulations using a two-step algorithm. First, we transform the non-Hermitian Hamiltonian into a Hermitian form by using the energy variance as a cost function within a variational framework. Second, we perform theta-trajectory calculations to determine optimal resonance positions in the complex energy plane. To address resource constraints on NISQ devices, we utilize Gray Code (GC) encoding to reduce qubit requirements. We first validate our approach using a schematic potential model that mimics a nuclear potential, successfully reproducing known resonance energies with high fidelity. We then extend the method to a more realistic alpha-alpha nuclear potential and compute the resonance energies with a basis size of 16, using only four qubits. This study demonstrates, for the first time, that the complete theta-trajectory method can be implemented on a quantum computer without relying on any classical input beyond the Hamiltonian. The results establish a scalable and efficient quantum framework for simulating resonance phenomena in nuclear systems. This work represents a significant step toward quantum simulations of open quantum systems.

The encoding of qubits in semiconductor spin carriers has been recognised as a promising approach to a commercial quantum computer that can be lithographically produced and integrated at scale. However, the operation of the large number of qubits required for advantageous quantum applications will produce a thermal load exceeding the available cooling power of cryostats at millikelvin temperatures. As the scale-up accelerates, it becomes imperative to establish fault-tolerant operation above 1 kelvin, where the cooling power is orders of magnitude higher. Here, we tune up and operate spin qubits in silicon above 1 kelvin, with fidelities in the range required for fault-tolerant operation at such temperatures. We design an algorithmic initialisation protocol to prepare a pure two-qubit state even when the thermal energy is substantially above the qubit energies, and incorporate radio-frequency readout to achieve fidelities up to 99.34 per cent for both readout and initialisation. Importantly, we demonstrate a single-qubit Clifford gate fidelity of 99.85 per cent, and a two-qubit gate fidelity of 98.92 per cent. These advances overcome the fundamental limitation that the thermal energy must be well below the qubit energies for high-fidelity operation to be possible, surmounting a major obstacle in the pathway to scalable and fault-tolerant quantum computation.

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.

We introduce an optical tweezer platform for assembling and individually manipulating a two-dimensional register of nuclear spin qubits. Each nuclear spin qubit is encoded in the ground ^{1}S_{0} manifold of ^{87}Sr and is individually manipulated by site-selective addressing beams. We observe that spin relaxation is negligible after 5 seconds, indicating that T_1gg5 s. Furthermore, utilizing simultaneous manipulation of subsets of qubits, we demonstrate significant phase coherence over the entire register, estimating T_2^star = left(21pm7right) s and measuring T_2^echo=left(42pm6right) s.

Designing and optimizing task-specific quantum circuits are crucial to leverage the advantage of quantum computing. Recent large language model (LLM)-based quantum circuit generation has emerged as a promising automatic solution. However, the fundamental challenges remain unaddressed: (i) parameterized quantum gates require precise numerical values for optimal performance, which also depend on multiple aspects, including the number of quantum gates, their parameters, and the layout/depth of the circuits. (ii) LLMs often generate low-quality or incorrect quantum circuits due to the lack of quantum domain-specific knowledge. We propose QUASAR, an agentic reinforcement learning (RL) framework for quantum circuits generation and optimization based on tool-augmented LLMs. To align the LLM with quantum-specific knowledge and improve the generated quantum circuits, QUASAR designs (i) a quantum circuit verification approach with external quantum simulators and (ii) a sophisticated hierarchical reward mechanism in RL training. Extensive evaluation shows improvements in both syntax and semantic performance of the generated quantum circuits. When augmenting a 4B LLM, QUASAR has achieved the validity of 99.31% in Pass@1 and 100% in Pass@10, outperforming industrial LLMs of GPT-4o, GPT-5 and DeepSeek-V3 and several supervised-fine-tuning (SFT)-only and RL-only baselines.

We define an atomic generation fact f=(u,tau,omega,z;rho), recording the origin, realized transformation, concrete occurrence, generated result and relation role. Compiled into a Generation-Fact Graph (GFG), these facts provide an AI-native, compilable scientific fact substrate preserving generation histories. We establish a GFG-based recursive scientific process in which analysis, intervention, replay and validation form facts for later cycles. Using nanoGPT, we establish unified training-learning dynamics. Training is the evolution of a parameter-optimizer system with state and memory: each actual training action enters the receiving state and produces a finite-amplitude nonlinear functional response conditioned by that state and target-specific update geometry. Learning is the persistent reorganization of distributed functional support by these responses; capability formation, maintenance, decline or recovery becomes observable when target-specific states are evaluated against their readout boundaries. Three primary coordinates - target-boundary state, target-specific update geometry and parameter-Adam receiving state - yield a second-order predictor operating before post-update outputs are read. On held-out runs, it achieved 91.43% accuracy and 91.49% macro-averaged recall across four transitions. We further establish inference as a frozen projection of training-learning dynamics. Component gating and rollback show causal recruitment and non-additive combination of query-conditioned support formed during training, deriving organizational conditions realized by Attention. Controlled feedback indicates possible double-edged reinforcement effects. ResNet/CIFAR-100 and diffusion/CIFAR-10 experiments confirm receiving-state-conditioned responses, persistent support reorganization and frozen inference projection beyond nanoGPT.

The surface code family is a promising approach to implementing fault-tolerant quantum computations. Universal fault-tolerance requires error-corrected non-Clifford operations, in addition to Clifford gates, and for the former, it is imperative to experimentally demonstrate additional resources known as magic states. Another challenge is to efficiently embed surface codes into quantum hardware with connectivity constraints. This work simultaneously addresses both challenges by employing a qubit-efficient rotated heavy-hexagonal surface code for IBM quantum processors (ibm\_fez) and implementing the magic state injection protocol. Our work reports error thresholds for both logical bit- and phase-flip errors, of approx0.37% and approx0.31%, respectively, which are higher than the threshold values previously reported with traditional embedding. The post-selection-based preparation of logical magic states |H_Lrangle and |T_Lrangle achieve fidelities of 0.8806pm0.0002 and 0.8665pm0.0003, respectively, which are both above the magic state distillation threshold. Additionally, we report the minimum fidelity among injected arbitrary single logical qubit states as 0.8356pm0.0003. Our work demonstrates the potential for realising non-Clifford logical gates by producing high-fidelity logical magic states on IBM quantum devices.

In the rapidly evolving domain of distributed ledger technology, scalability and interoperability have become paramount challenges for both academic and industry sectors. In this paper, we introduce a comprehensive formal model to address atomic composability across multiple rollups on Ethereum. The proposed model incorporates mechanisms like buffering, dependency management, concurrency control, and the groundbreaking zero-knowledge proofs. Moreover, we evaluate its practical repercussions, strengths, and weaknesses, ensuring resilience against manipulative or erroneous actions. The application of the proposed model to shared sequencers and other existing solutions accentuates its versatility and universality.

We provide a theoretical analysis for a recently demonstrated cooling method. Two-level particles undergo successive adiabatic transfers upon interaction with counter-propagating laser beams that are repeatedly swept over the transition frequency. We show that particles with narrow linewidth transitions can be cooled to near the recoil limit. This cooling mechanism has a reduced reliance on spontaneous emission compared to Doppler cooling, and hence shows promise for application to systems lacking closed cycling transitions, such as molecules.

Multi-agent LLM systems share state through memory stores, vector indices, and tool registries. We model such sharing as long-running read-generate-write operations under deterministic-generation semantics -- the regime durable-execution engines enforce by deterministic replay -- and formalize four concurrency anomalies in TLA+: stale-generation, phantom-tool, causal-cascade, and tool-effect reordering, structural analogues of classical isolation anomalies, each with a TLC counter-example. The exclusion lattice over these anomalies is trivial; the contribution is the mechanically verified realizability and strict separation of one maximal chain within it, L_0 subsetneq cdots subsetneq L_4, to our knowledge the first machine-checked consistency hierarchy for such runtimes. A development of 274 Verus obligations (zero assume, zero admit; trust base: two structural axioms and a mutex correspondence) proves the detectors sound and complete against the specifications and each runtime its avoidance set. Three deployed Rust runtimes realize L0-L1 (pessimistic locking, serializable snapshot isolation, default-SI), each verified against stale-generation and refined to its state machine; L2-L4 are exec-mode-verified with dependency-free prevention twins (A3, A6, A2: 0/1000 versus 1000/1000), and L2 is run live across three model families (A3 prevented in all 120 retracted sessions). We reproduce a silent lost update in ByteDance's deer-flow, formalizing its fix as a verified L_0 to L_1 refinement, and exhibit tool-effect reordering in LangGraph's ToolNode on unmodified output, removed by an L3 commit-order sequencer. The verified detector, refinements, and realizability artifacts are the contribution; the phenomena and lattice are classical.

Memory is a fundamental component of AI systems, underpinning large language models (LLMs) based agents. While prior surveys have focused on memory applications with LLMs, they often overlook the atomic operations that underlie memory dynamics. In this survey, we first categorize memory representations into parametric, contextual structured, and contextual unstructured and then introduce six fundamental memory operations: Consolidation, Updating, Indexing, Forgetting, Retrieval, and Compression. We systematically map these operations to the most relevant research topics across long-term, long-context, parametric modification, and multi-source memory. By reframing memory systems through the lens of atomic operations and representation types, this survey provides a structured and dynamic perspective on research, benchmark datasets, and tools related to memory in AI, clarifying the functional interplay in LLMs based agents while outlining promising directions for future researchThe paper list, datasets, methods and tools are available at \href{https://github.com/Elvin-Yiming-Du/Survey_Memory_in_AI{https://github.com/Elvin-Yiming-Du/Survey\_Memory\_in\_AI}.}.

We present shadow spectroscopy as a simulator-agnostic quantum algorithm for estimating energy gaps using very few circuit repetitions (shots) and no extra resources (ancilla qubits) beyond performing time evolution and measurements. The approach builds on the fundamental feature that every observable property of a quantum system must evolve according to the same harmonic components: we can reveal them by post-processing classical shadows of time-evolved quantum states to extract a large number of time-periodic signals N_opropto 10^8, whose frequencies correspond to Hamiltonian energy differences with Heisenberg-limited precision. We provide strong analytical guarantees that (a) quantum resources scale as O(log N_o), while the classical computational complexity is linear O(N_o), (b) the signal-to-noise ratio increases with the number of processed signals as propto N_o, and (c) spectral peak positions are immune to reasonable levels of noise. We demonstrate our approach on model spin systems and the excited state conical intersection of molecular CH_2 and verify that our method is indeed intuitively easy to use in practice, robust against gate noise, amiable to a new type of algorithmic-error mitigation technique, and uses orders of magnitude fewer number of shots than typical near-term quantum algorithms -- as low as 10 shots per timestep is sufficient. Finally, we measured a high-quality, experimental shadow spectrum of a spin chain on readily-available IBM quantum computers, achieving the same precision as in noise-free simulations without using any advanced error mitigation, and verified scalability in tensor-network simulations of up to 100-qubit systems.

Classical simulation of quantum physics is a central approach to investigating physical phenomena. Quantum computers enhance computational capabilities beyond those of classical resources, but it remains unclear to what extent existing limited quantum computers can contribute to this enhancement. In this work, we explore a new hybrid, efficient quantum-classical representation of quantum states, the multiple-basis representation. This representation consists of a linear combination of states that are sparse in some given and different bases, specified by quantum circuits. Such representation is particularly appealing when considering depth-limited quantum circuits within reach of current hardware. We analyze the expressivity of multiple-basis representation states depending on the classical simulability of their quantum circuits. In particular, we show that multiple-basis representation states include, but are not restricted to, both matrix-product states and stabilizer states. Furthermore, we find cases in which this representation can be used, namely approximation of ground states, simulation of deeper computations by specifying bases with shallow circuits, and a tomographical protocol to describe states as multiple-basis representations. We envision this work to open the path of simultaneous use of several hardware-friendly bases, a natural description of hybrid computational methods accessible for near-term hardware.

We describe Qiskit, a software development kit for quantum information science. We discuss the key design decisions that have shaped its development, and examine the software architecture and its core components. We demonstrate an end-to-end workflow for solving a problem in condensed matter physics on a quantum computer that serves to highlight some of Qiskit's capabilities, for example the representation and optimization of circuits at various abstraction levels, its scalability and retargetability to new gates, and the use of quantum-classical computations via dynamic circuits. Lastly, we discuss some of the ecosystem of tools and plugins that extend Qiskit for various tasks, and the future ahead.

High-Level Synthesis leverages loop unrolling and array partitioning, but scheduling concurrent accesses is challenging when indices contain non-affine arithmetic. Conventional polyhedral frameworks systematically over-approximate these non-linear transformations, forcing conservative serialization that degrades performance. To minimize this bottleneck, we present a spatial verification framework operating at the LLVM Intermediate Representation (IR) level. By extracting flat arithmetic expressions from "getelementptr" instructions, it models memory banks as polymorphic spatial predicates to handle non-affine terms. Structural safety is enforced via a Conflict-Free Unrolling condition using Separation Logic's separating conjunction; concurrent operations targeting the same bank trigger an automatic spatial contradiction. This disjointness requirement is reduced to a matrix of pairwise inequalities over immutable Static Single Assignment (SSA) variables for a Satisfiability Modulo Theories (SMT) oracle. To guarantee safety against undecidable non-linear arithmetic, we implement a deterministic sequential fallback. Finally, a theorem of soundness bridges algebraic SMT verification with Register Transfer Level trace safety, ensuring physical hardware immune to structural memory collisions.

Quantum error correction provides a path to reach practical quantum computing by combining multiple physical qubits into a logical qubit, where the logical error rate is suppressed exponentially as more qubits are added. However, this exponential suppression only occurs if the physical error rate is below a critical threshold. In this work, we present two surface code memories operating below this threshold: a distance-7 code and a distance-5 code integrated with a real-time decoder. The logical error rate of our larger quantum memory is suppressed by a factor of Λ = 2.14 pm 0.02 when increasing the code distance by two, culminating in a 101-qubit distance-7 code with 0.143% pm 0.003% error per cycle of error correction. This logical memory is also beyond break-even, exceeding its best physical qubit's lifetime by a factor of 2.4 pm 0.3. We maintain below-threshold performance when decoding in real time, achieving an average decoder latency of 63 μs at distance-5 up to a million cycles, with a cycle time of 1.1 μs. To probe the limits of our error-correction performance, we run repetition codes up to distance-29 and find that logical performance is limited by rare correlated error events occurring approximately once every hour, or 3 times 10^9 cycles. Our results present device performance that, if scaled, could realize the operational requirements of large scale fault-tolerant quantum algorithms.

The intrinsic probabilistic nature of quantum systems makes error correction or mitigation indispensable for quantum computation. While current error-correcting strategies focus on correcting errors in quantum states or quantum gates, these fine-grained error-correction methods can incur significant overhead for quantum algorithms of increasing complexity. We present a first step in achieving error correction at the level of quantum algorithms by combining a unified perspective on modern quantum algorithms via quantum signal processing (QSP). An error model of under- or over-rotation of the signal processing operator parameterized by epsilon < 1 is introduced. It is shown that while Pauli Z-errors are not recoverable without additional resources, Pauli X and Y errors can be arbitrarily suppressed by coherently appending a noisy `recovery QSP.' Furthermore, it is found that a recovery QSP of length O(2^k c^{k^2} d) is sufficient to correct any length-d QSP with c unique phases to k^{th}-order in error epsilon. Allowing an additional assumption, a lower bound of Omega(cd) is shown, which is tight for k = 1, on the length of the recovery sequence. Our algorithmic-level error correction method is applied to Grover's fixed-point search algorithm as a demonstration.

Migrating quantum algorithms across evolving frameworks introduces subtle behavioral changes that affect accuracy and reproducibility. This paper reports our experience converting the Quantum Approximate Optimization Algorithm (QAOA) from Qiskit Algorithms with Qiskit 1.x (v1 primitives) to a custom implementation using Qiskit 2.x (v2 primitives). Despite identical circuits, optimizers, and Hamiltonians, the new version produced drastically different results. A systematic analysis revealed the root cause: the sampling budget -- the number of circuit executions (shots) per iteration. The library's implicit use of unlimited shots yielded dense probability distributions, whereas the v2 default of 10 000 shots captured only 23% of the state space. Increasing shots to 250 000 restored library-level accuracy. This study highlights how hidden parameters at the quantum-classical interaction level can dominate hybrid algorithm performance and provides actionable recommendations for developers and framework designers to ensure reproducible results in quantum software migration.

State-space models (SSMs) maintain a fixed-size recurrent state, but reading and writing it at every decoding step can bottleneck hybrid models. This eager state management causes large state I/O with low arithmetic intensity, leaves speculative decoding no cheap rollback, and feeds state quantization error into subsequent recurrent updates. We introduce ReplaySSM, which unrolls the recurrence to represent the state as a checkpoint and a buffer of recent SSM inputs. This separates output computation from checkpoint updates. By updating the checkpoint periodically, ReplaySSM avoids state writes on most steps and roughly halves the dominant state memory traffic. Keeping recent inputs also makes speculative rollback a buffer-pointer operation and enables output-only verification without materializing intermediate states. The same separation allows a low-precision checkpoint to serve output computation on most steps while a higher-precision checkpoint serves recurrent updates, so rounding error in the low-precision copy never enters later updates. We implement ReplaySSM in vLLM for Mamba-2 and Gated DeltaNet. At serving batch size 256, it accelerates standard decoding by 1.20--1.47times over a tuned vLLM baseline across four hybrid models, and delivers about 1.8times the throughput of vLLM's speculative decoding on the two 120B-class models. Separate state precisions also reduce output KL divergence and downstream accuracy losses compared with a shared low-precision checkpoint.

Code optimization is a crucial task that aims to enhance code performance. However, this process is often tedious and complex, highlighting the necessity for automatic code optimization techniques. Reinforcement Learning (RL) has emerged as a promising approach for tackling such complex optimization problems. In this project, we introduce MLIR RL, an RL environment for the MLIR compiler, dedicated to facilitating MLIR compiler research and enabling automatic code optimization. We propose a multi-discrete formulation of the action space where the action space is the Cartesian product of simpler action subspaces. We also propose a new method, called level pointers, to reduce the size of the action space related to the loop interchange transformation. This enables more efficient and effective learning of the policy. To demonstrate the effectiveness of MLIR RL, we train an RL agent to optimize MLIR Linalg code, targeting CPU. The code is generated from two domain-specific frameworks: deep-learning models generated from PyTorch, and LQCD (Lattice Quantum Chromodynamics) code generated from an LQCD compiler. The result of this work is a research environment that allows the community to experiment with novel ideas in RL-driven loop-nest optimization.

Zeroth-order optimization (ZO) is a memory-efficient strategy for fine-tuning Large Language Models using only forward passes. However, the application of ZO fine-tuning in memory-constrained settings such as mobile phones and laptops is still challenging since full precision forward passes are infeasible. In this study, we address this limitation by integrating sparsity and quantization into ZO fine-tuning of LLMs. Specifically, we investigate the feasibility of fine-tuning an extremely small subset of LLM parameters using ZO. This approach allows the majority of un-tuned parameters to be quantized to accommodate the constraint of limited device memory. Our findings reveal that the pre-training process can identify a set of "sensitive parameters" that can guide the ZO fine-tuning of LLMs on downstream tasks. Our results demonstrate that fine-tuning 0.1% sensitive parameters in the LLM with ZO can outperform the full ZO fine-tuning performance, while offering wall-clock time speedup. Additionally, we show that ZO fine-tuning targeting these 0.1% sensitive parameters, combined with 4 bit quantization, enables efficient ZO fine-tuning of an Llama2-7B model on a GPU device with less than 8 GiB of memory and notably reduced latency.

Fine-tuning large pre-trained LLMs generally demands extensive GPU memory. Traditional first-order optimizers like SGD encounter substantial difficulties due to increased memory requirements from storing activations and gradients during both the forward and backward phases as the model size expands. Alternatively, zeroth-order (ZO) techniques can compute gradients using just forward operations, eliminating the need to store activations. Furthermore, by leveraging CPU capabilities, it's feasible to enhance both the memory and processing power available to a single GPU. We propose a novel framework, ZO2 (Zeroth-Order Offloading), for efficient zeroth-order fine-tuning of LLMs with only limited GPU memory. Our framework dynamically shifts model parameters between the CPU and GPU as required, optimizing computation flow and maximizing GPU usage by minimizing downtime. This integration of parameter adjustments with ZO's double forward operations reduces unnecessary data movement, enhancing the fine-tuning efficacy. Additionally, our framework supports an innovative low-bit precision approach in AMP mode to streamline data exchanges between the CPU and GPU. Employing this approach allows us to fine-tune extraordinarily large models, such as the OPT-175B with more than 175 billion parameters, on a mere 18GB GPU--achievements beyond the reach of traditional methods. Moreover, our framework achieves these results with almost no additional time overhead and absolutely no accuracy loss compared to standard zeroth-order methods. ZO2's code has been open-sourced in https://github.com/liangyuwang/zo2.

Code Large Language Models (Code LLMs) have emerged as powerful tools, revolutionizing the software development landscape by automating the coding process and reducing time and effort required to build applications. This paper focuses on training Code LLMs to specialize in the field of quantum computing. We begin by discussing the unique needs of quantum computing programming, which differ significantly from classical programming approaches or languages. A Code LLM specializing in quantum computing requires a foundational understanding of quantum computing and quantum information theory. However, the scarcity of available quantum code examples and the rapidly evolving field, which necessitates continuous dataset updates, present significant challenges. Moreover, we discuss our work on training Code LLMs to produce high-quality quantum code using the Qiskit library. This work includes an examination of the various aspects of the LLMs used for training and the specific training conditions, as well as the results obtained with our current models. To evaluate our models, we have developed a custom benchmark, similar to HumanEval, which includes a set of tests specifically designed for the field of quantum computing programming using Qiskit. Our findings indicate that our model outperforms existing state-of-the-art models in quantum computing tasks. We also provide examples of code suggestions, comparing our model to other relevant code LLMs. Finally, we introduce a discussion on the potential benefits of Code LLMs for quantum computing computational scientists, researchers, and practitioners. We also explore various features and future work that could be relevant in this context.

Binary classical information is routinely encoded in the two metastable states of a dynamical system. Since these states may exhibit macroscopic lifetimes, the encoded information inherits a strong protection against bit-flips. A recent qubit - the cat-qubit - is encoded in the manifold of metastable states of a quantum dynamical system, thereby acquiring bit-flip protection. An outstanding challenge is to gain quantum control over such a system without breaking its protection. If this challenge is met, significant shortcuts in hardware overhead are forecast for quantum computing. In this experiment, we implement a cat-qubit with bit-flip times exceeding ten seconds. This is a four order of magnitude improvement over previous cat-qubit implementations, and six orders of magnitude enhancement over the single photon lifetime that compose this dynamical qubit. This was achieved by introducing a quantum tomography protocol that does not break bit-flip protection. We prepare and image quantum superposition states, and measure phase-flip times above 490 nanoseconds. Most importantly, we control the phase of these superpositions while maintaining the bit-flip time above ten seconds. This work demonstrates quantum operations that preserve macroscopic bit-flip times, a necessary step to scale these dynamical qubits into fully protected hardware-efficient architectures.

In this work, we initiate the study of learning quantum processes from quantum statistical queries. We focus on two fundamental learning tasks in this new access model: shadow tomography of quantum processes and process tomography with respect to diamond distance. For the former, we present an efficient average-case algorithm along with a nearly matching lower bound with respect to the number of observables to be predicted. For the latter, we present average-case query complexity lower bounds for learning classes of unitaries. We obtain an exponential lower bound for learning unitary 2-designs and a doubly exponential lower bound for Haar-random unitaries. Finally, we demonstrate the practical relevance of our access model by applying our learning algorithm to attack an authentication protocol using Classical-Readout Quantum Physically Unclonable Functions, partially addressing an important open question in quantum hardware security.

In embodied manipulation, Vision Language Action (VLA) models can execute atomic skills, but long-horizon manipulation requires recombining these skills without demonstrations for every skill combination. The full instruction route treats skill chaining as long-horizon imitation. In a controlled study, full instruction training on limited skill combination sequences reaches 40.0% ordered success on covered combinations but only 7.7% on recombination, suggesting memorization of sequence templates rather than robust skill recombination. We introduce Hierarchical Subtask Execution (HSE), a diagnostic framework that exposes skill recombination through a shared modular interface over the planner, trigger, and policy, decomposing long-horizon failures into separable modes. We introduce RoboCombine, a benchmark for skill recombination without combined skill training trajectories, with metrics for ordered success and transition conversion across subtask boundaries. RoboCombine reveals that atomic competence alone does not ensure ordered execution. Failures concentrate at transitions where downstream subtasks launch from handoff states from preceding subtasks rather than canonical atomic starts. We identify this mismatch as the start state gap. To address it, we introduce Pose Robust Task Initialization (PRTI), a lightweight atomic task post-training strategy that broadens start state coverage beyond canonical starts. Under oracle timed HSE on RoboCombine, PRTI reaches 18.16% ordered success, compared with 4.21% under random perturbation and 9.47% under a robot-reset oracle, without combined skill training trajectories. These results show that combinatorial generalization requires handoff robust atomic skills that convert first stage progress into reliable downstream execution, not merely decomposition into known subtasks. Code: https://github.com/AutoLab-SAI-SJTU/RoboCombine.

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.

QSE is emerging as a critical discipline to make quantum computing accessible to a broader developer community; however, most quantum development environments still require developers to engage with low-level details across the software stack - including problem encoding, circuit construction, algorithm configuration, hardware selection, and result interpretation - making them difficult for classical software engineers to use. To bridge this gap, we present C2|Q>, a hardware-agnostic quantum software development framework that translates specific types of classical specifications into quantum-executable programs while preserving methodological rigor. The framework applies modular SE principles by classifying the workflow into three core modules: an encoder that classifies problems, produces Quantum-Compatible Formats, and constructs quantum circuits, a deployment module that generates circuits and recommends hardware based on fidelity, runtime, and cost, and a decoder that interprets quantum outputs into classical solutions. In evaluation, the encoder module achieved a 93.8% completion rate, the hardware recommendation module consistently selected the appropriate quantum devices for workloads scaling up to 56 qubits. End-to-end experiments on 434 Python programs and 100 JSON problem instances show that the full C2|Q> workflow executes reliably on simulators and can be deployed successfully on representative real quantum hardware, with empirical runs limited to small- and medium-sized instances consistent with current NISQ capabilities. These results indicate that C2|Q> lowers the entry barrier to quantum software development by providing a reproducible, extensible toolchain that connects classical specifications to quantum execution. The open-source implementation of C2|Q> is available at https://github.com/C2-Q/C2Q and as a Python package at https://pypi.org/project/c2q-framework/.

Computer end users have spent billions of hours completing daily tasks like tabular data processing and project timeline scheduling. Most of these tasks are repetitive and error-prone, yet most end users lack the skill to automate these burdensome works. With the advent of large language models (LLMs), directing software with natural language user requests become a reachable goal. In this work, we propose a SheetCopilot agent that takes natural language task and control spreadsheet to fulfill the requirements. We propose a set of atomic actions as an abstraction of spreadsheet software functionalities. We further design a state machine-based task planning framework for LLMs to robustly interact with spreadsheets. We curate a representative dataset containing 221 spreadsheet control tasks and establish a fully automated evaluation pipeline for rigorously benchmarking the ability of LLMs in software control tasks. Our SheetCopilot correctly completes 44.3\% of tasks for a single generation, outperforming the strong code generation baseline by a wide margin. Our project page:https://sheetcopilot.github.io/.

As quantum computing approaches the threshold where certain tasks demonstrably outpace their classical machines, the need for a precise, clear, consensus-driven definition of quantum advantage becomes essential. Rapid progress in the field has blurred this term across companies, architectures, and application domains. Here, we aim to articulate an operational definition for quantum advantage that is both platform-agnostic and empirically verifiable. Building on this framework, we highlight the algorithmic families most likely to achieve early advantage. Finally, we outline our vision for the near future, in which quantum computers enhance existing high-performance computing platforms, enabling new frontiers in chemistry, materials discovery, optimization, and beyond.

Although quantum simulation can give insight into elusive or intractable physical phenomena, many quantum simulators are unavoidably limited in the models they mimic. Such is also the case for atom arrays interacting via Rydberg states - a platform potentially capable of simulating any kind of spin exchange model, albeit with currently unattainable experimental capabilities. Here, we propose a new route towards simulating generic spin exchange Hamiltonians in atom arrays, using Floquet engineering with both global and local control. To demonstrate the versatility and applicability of our approach, we numerically investigate the generation of several spin exchange models which have yet to be realized in atom arrays, using only previously-demonstrated experimental capabilities. Our proposed scheme can be readily explored in many existing setups, providing a path to investigate a large class of exotic quantum spin models.

Equipping agents with memory is essential for solving real-world long-horizon problems. However, most existing agent memory mechanisms rely on static and hand-crafted workflows. This limits the performance and generalization ability of these memory designs, which highlights the need for a more flexible, learning-based memory framework. In this paper, we propose AtomMem, which reframes memory management as a dynamic decision-making problem. We deconstruct high-level memory processes into fundamental atomic CRUD (Create, Read, Update, Delete) operations, transforming the memory workflow into a learnable decision process. By combining supervised fine-tuning with reinforcement learning, AtomMem learns an autonomous, task-aligned policy to orchestrate memory behaviors tailored to specific task demands. Experimental results across 3 long-context benchmarks demonstrate that the trained AtomMem-8B consistently outperforms prior static-workflow memory methods. Further analysis of training dynamics shows that our learning-based formulation enables the agent to discover structured, task-aligned memory management strategies, highlighting a key advantage over predefined routines.

We introduce a technique that uses gauge fixing to significantly improve the quantum error correcting performance of subsystem codes. By changing the order in which check operators are measured, valuable additional information can be gained, and we introduce a new method for decoding which uses this information to improve performance. Applied to the subsystem toric code with three-qubit check operators, we increase the threshold under circuit-level depolarising noise from 0.67% to 0.81%. The threshold increases further under a circuit-level noise model with small finite bias, up to 2.22% for infinite bias. Furthermore, we construct families of finite-rate subsystem LDPC codes with three-qubit check operators and optimal-depth parity-check measurement schedules. To the best of our knowledge, these finite-rate subsystem codes outperform all known codes at circuit-level depolarising error rates as high as 0.2%, where they have a qubit overhead that is 4.3times lower than the most efficient version of the surface code and 5.1times lower than the subsystem toric code. Their threshold and pseudo-threshold exceeds 0.42% for circuit-level depolarising noise, increasing to 2.4% under infinite bias using gauge fixing.

We report on Quantinuum Helios, a 98-qubit trapped-ion quantum processor based on the quantum charge-coupled device (QCCD) architecture. Helios features ^{137}Ba^{+} hyperfine qubits, all-to-all connectivity enabled by a rotatable ion storage ring connecting two quantum operation regions by a junction, speed improvements from parallelized operations, and a new software stack with real-time compilation of dynamic programs. Averaged over all operational zones in the system, we achieve average infidelities of 2.5(1)times10^{-5} for single-qubit gates, 7.9(2)times10^{-4} for two-qubit gates, and 4.8(6)times10^{-4} for state preparation and measurement, none of which are fundamentally limited and likely able to be improved. These component infidelities are predictive of system-level performance in both random Clifford circuits and random circuit sampling, the latter demonstrating that Helios operates well beyond the reach of classical simulation and establishes a new frontier of fidelity and complexity for quantum computers.

Integrated sensing and communication (ISAC) is a key technology for next generation wireless networks, requiring highly sensitive, compact receiver front ends with multiband coverage. Rydberg atomic receivers (RARs) provide a promising architecture that satisfies these requirements owing to their high sensitivity and continuous frequency tuning capability. Unlike in classical ISAC systems utilizing orthogonal resource allocation, executing concurrent multi band tasks within a single atomic ensemble relies on shared energy state transitions. Owing to this shared structure, the communication and sensing tradeoff in RAR-based ISAC introduces an atomic-response tradeoff beyond the classical subspace and deterministic-random tradeoffs. This paper studies a multi-branch RAR (MB-RAR) architecture for joint communication and radar sensing. By solving the five level Lindblad master equation at the local oscillator (LO) biased operating point and linearizing the communication and sensing radio frequency (RF) signals as small perturbations, we obtain the double-sideband dynamic signal response of the MB-RAR. The model reveals two intrinsic constraints. First, increasing the coupling laser strength broadens the response bandwidth but can weaken the atomic response. Second, strengthening one branch's LO can suppress the other branch's conversion gain through the shared Rydberg state, even when the latter's LO bias remains fixed, which is termed the inter band gain inhibition (IBGI). Based on these mechanisms, we formulate the achievable Cramér--Rao bound (CRB)-rate region and develop a rate-constrained joint search over coupling strength and LO power allocation. Numerical results validate the proposed response model and show that joint optimization provides a more complete characterization of the achievable CRB-rate region.

Large language models (LLM) have achieved remarkable outcomes in addressing complex problems, including math, coding, and analyzing large amounts of scientific reports. Yet few works have explored the potential of LLM in quantum computing. The most challenging problem is how to leverage LLMs to automatically generate quantum circuits at a large scale. In this paper, we address such a challenge by fine-tuning LLMs and injecting the domain-specific knowledge of quantum computing. In particular, we investigate the mechanisms to generate training data sets and construct the end-to-end pipeline to fine-tune pre-trained LLMs that produce parameterized quantum circuits for optimization problems. We have prepared 14,000 quantum circuits covering a substantial part of the quantum optimization landscape: 12 optimization problem instances and their optimized QAOA, VQE, and adaptive VQE circuits. The fine-tuned LLMs can construct syntactically correct parametrized quantum circuits in the most recent OpenQASM 3.0. We have evaluated the quality of the parameters by comparing them to the optimized expectation values and distributions. Our evaluation shows that the fine-tuned LLM outperforms state-of-the-art models and that the parameters are better than random. The LLM-generated parametrized circuits and initial parameters can be used as a starting point for further optimization, e.g., templates in quantum machine learning and the benchmark for compilers and hardware.

We present a decomposition technique that uses non-deterministic circuits to approximate an arbitrary single-qubit unitary to within distance ε and requires significantly fewer non-Clifford gates than existing techniques. We develop "Repeat-Until-Success" (RUS) circuits and characterize unitaries that can be exactly represented as an RUS circuit. Our RUS circuits operate by conditioning on a given measurement outcome and using only a small number of non-Clifford gates and ancilla qubits. We construct an algorithm based on RUS circuits that approximates an arbitrary single-qubit Z-axis rotation to within distance ε, where the number of T gates scales as 1.26log_2(1/ε) - 3.53, an improvement of roughly three-fold over state-of-the-art techniques. We then extend our algorithm and show that a scaling of 2.4log_2(1/ε) - 3.28 can be achieved for arbitrary unitaries and a small range of ε, which is roughly twice as good as optimal deterministic decomposition methods.

Reverse-mode differentiation is used for optimization, but it introduces references, which break the purity of the underlying programs, making them notoriously harder to optimize. We present a reverse-mode differentiation on a purely functional language with array operations. It is the first one to deliver a provably efficient, purely functional, and denotationally correct reverse-mode differentiation. We show that our transformation is semantically correct and verifies the cheap gradient principle. Inspired by PROPs and compilation to categories, we introduce a novel intermediate representation that we call 'unary form'. Our reverse-mode transformation is factored as a compilation scheme through this intermediate representation. We obtain provably efficient gradients by performing general partial evaluation optimizations after our reverse-mode transformation, as opposed to manually derived ones. For simple first-order programs, the obtained output programs resemble static-single-assignment (SSA) code. We emphasize the modularity of our approach and show how our language can easily be enriched with more optimized primitives, as required for some speed-ups in practice.

We introduce a simple algorithm that efficiently computes tensor products of Pauli matrices. This is done by tailoring the calculations to this specific case, which allows to avoid unnecessary calculations. The strength of this strategy is benchmarked against state-of-the-art techniques, showing a remarkable acceleration. As a side product, we provide an optimized method for one key calculus in quantum simulations: the Pauli basis decomposition of Hamiltonians.

We review thirteen generative systems and five supporting datasets for quantum circuit and quantum code generation, identified through a structured scoping review of Hugging Face, arXiv, and provenance tracing (January-February 2026). We organize the field along two axes: artifact type (Qiskit code, OpenQASM programs, circuit graphs); crossed with training regime (supervised fine-tuning, verifier-in-the-loop RL, diffusion/graph generation, agentic optimization); and systematically apply a three-layer evaluation framework covering syntactic validity, semantic correctness, and hardware executability. The central finding is that while all reviewed systems address syntax and most address semantics to some degree, none reports end-to-end evaluation on quantum hardware (Layer 3b), leaving a significant gap between generated circuits and practical deployment. Scope note: quantum code refers throughout to quantum program artifacts (QASM, Qiskit); we do not cover generation of quantum error-correcting codes (QEC).

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is often unstructured, multimodal, and difficult to incorporate into current AI systems. This paper introduces the k-agents framework, designed to support experimentalists in organizing laboratory knowledge and automating experiments with agents. Our framework employs large language model-based agents to encapsulate laboratory knowledge including available laboratory operations and methods for analyzing experiment results. To automate experiments, we introduce execution agents that break multi-step experimental procedures into state machines, interact with other agents to execute each step and analyze the experiment results. The analyzed results are then utilized to drive state transitions, enabling closed-loop feedback control. To demonstrate its capabilities, we applied the agents to calibrate and operate a superconducting quantum processor, where they autonomously planned and executed experiments for hours, successfully producing and characterizing entangled quantum states at the level achieved by human scientists. Our knowledge-based agent system opens up new possibilities for managing laboratory knowledge and accelerating scientific discovery.

Demonstrating the practical utility of Noisy Intermediate-Scale Quantum (NISQ) hardware for recurrent tasks in Computer-Aided Drug Discovery is of paramount importance. We tackle this challenge by performing three-dimensional protein pockets hydration-site prediction on a quantum computer. Formulating the water placement problem as a Quadratic Unconstrained Binary Optimization (QUBO), we use a hybrid approach coupling a classical three-dimensional reference-interaction site model (3D-RISM) to an efficient quantum optimization solver, to run various hardware experiments up to 123 qubits. Matching the precision of classical approaches, our results reproduced experimental predictions on real-life protein-ligand complexes. Furthermore, through a detailed resource estimation analysis, we show that accuracy can be systematically improved with increasing number of qubits, indicating that full quantum utility is in reach. Finally, we provide evidence that advantageous situations could be found for systems where classical optimization struggles to provide optimal solutions. The method has potential for assisting simulations of protein-ligand complexes for drug lead optimization and setup of docking calculations.

We introduce the FCHL19 representation for atomic environments in molecules or condensed-phase systems. Machine learning models based on FCHL19 are able to yield predictions of atomic forces and energies of query compounds with chemical accuracy on the scale of milliseconds. FCHL19 is a revision of our previous work [Faber et al. 2018] where the representation is discretized and the individual features are rigorously optimized using Monte Carlo optimization. Combined with a Gaussian kernel function that incorporates elemental screening, chemical accuracy is reached for energy learning on the QM7b and QM9 datasets after training for minutes and hours, respectively. The model also shows good performance for non-bonded interactions in the condensed phase for a set of water clusters with an MAE binding energy error of less than 0.1 kcal/mol/molecule after training on 3,200 samples. For force learning on the MD17 dataset, our optimized model similarly displays state-of-the-art accuracy with a regressor based on Gaussian process regression. When the revised FCHL19 representation is combined with the operator quantum machine learning regressor, forces and energies can be predicted in only a few milliseconds per atom. The model presented herein is fast and lightweight enough for use in general chemistry problems as well as molecular dynamics simulations.

Vision-Language-Action (VLA) policies achieve strong performance in robotic manipulation but remain brittle once execution deviates from nominal trajectories. We propose CARE (Corrective Atomic Robotic Execution), a framework that improves recovery by learning from failures encountered during execution. Instead of generating corrective data from manually designed or random perturbations, CARE collects failed rollouts, models stage-conditioned post-failure deviations, and uses the resulting empirical distributions to synthesize representative failure states and corrective demonstrations. At inference time, CARE combines stage-wise planning with physically grounded 3D monitoring to trigger atomic adjustments or re-operations while preserving task progress. We further introduce the Failure State Recovery Benchmark (FSR-Bench), which evaluates recovery from intermediate failure states under local deviations and structural anomalies. Experiments across multiple VLA backbones, simulation benchmarks, and real-world dual-arm tasks show consistent improvements, with average task-success gains of 14.5 points in simulation and 15.9 points in the real world. Code, models, and data are available at https://github.com/xiaojunlan/care

Modular quantum processors require a compiler to reason about two resources at the same time: local device connectivity and communication across QPUs. A mapping that is acceptable on a single coupling graph may be unsuitable for a modular machine if it creates excessive cross-QPU traffic, concentrates that traffic on a small number of interconnect links, or assigns many boundary qubits to a QPU with few communication ports. This paper presents QuPort, a Python and Qiskit-based compilation framework that studies this setting through an explicit three-level model: a weighted logical interaction graph, a directed physical coupling map, and an undirected QPU-level interconnect graph. The main partitioning method, TPCCAP, optimizes the implemented objective formed by weighted cut distance, communication-port overflow, and routed link-load congestion. The framework also includes heavy-edge clustering, balanced greedy partitioning, simulated-annealing refinement, communication-port-aware layout, extraction of remote two-qubit operations, local-only routing of per-QPU circuits, and topology-aware schedule estimation. The model is a compiler-level abstraction. It does not claim a calibrated hardware runtime or an implementation of a physical remote-gate protocol.

The popularity of the Rust language continues to explode; yet, many critical codebases remain authored in C, and cannot be realistically rewritten by hand. Automatically translating C to Rust is thus an appealing course of action. Several works have gone down this path, handling an ever-increasing subset of C through a variety of Rust features, such as unsafe. While the prospect of automation is appealing, producing code that relies on unsafe negates the memory safety guarantees offered by Rust, and therefore the main advantages of porting existing codebases to memory-safe languages. We instead explore a different path, and explore what it would take to translate C to safe Rust; that is, to produce code that is trivially memory safe, because it abides by Rust's type system without caveats. Our work sports several original contributions: a type-directed translation from (a subset of) C to safe Rust; a novel static analysis based on "split trees" that allows expressing C's pointer arithmetic using Rust's slices and splitting operations; an analysis that infers exactly which borrows need to be mutable; and a compilation strategy for C's struct types that is compatible with Rust's distinction between non-owned and owned allocations. We apply our methodology to existing formally verified C codebases: the HACL* cryptographic library, and binary parsers and serializers from EverParse, and show that the subset of C we support is sufficient to translate both applications to safe Rust. Our evaluation shows that for the few places that do violate Rust's aliasing discipline, automated, surgical rewrites suffice; and that the few strategic copies we insert have a negligible performance impact. Of particular note, the application of our approach to HACL* results in a 80,000 line verified cryptographic library, written in pure Rust, that implements all modern algorithms - the first of its kind.

The discovery of novel materials is critical for global energy and quantum technology transitions. While deep learning has fundamentally reshaped this landscape, existing predictive or generative models typically operate in isolation, lacking the autonomous orchestration required to execute the full discovery process. Here we present ElementsClaw, an agentic framework for materials discovery that synergizes Large Atomic Models (LAMs) with Large Language Models (LLMs). In response to varied human queries, ElementsClaw orchestrates a suite of LAM tools finetuned from our proposed 1-billion-parameter model Elements for atomic-scale numerical computation, while leveraging LLMs for high-level semantic reasoning. This shift moves AI-driven materials science from isolated processes toward integrated and human interactive discovery. Applied to superconductors, ElementsClaw screens 2.4 million crystals in just 28 GPU hours to identify 68,000 high-confidence candidates (The complete dataset of screened superconductors is available at https://developer.damo-academy.com/material), expanding known superconducting space by orders of magnitude compared to datasets curated over decades. Critically, ElementsClaw achieves a high success rate in identifying superconductors hidden in literature and discovers four novel experimentally verified superconductors, exemplified by Zr3ScRe8 with a transition temperature of 6.8 K and HfZrRe4 at 6.7 K. Together, our results establish a knowledge integrated, autonomously orchestrated, and experimentally grounded paradigm for materials discovery.

This whitepaper seeks to elucidate implications that the capabilities of developing quantum architectures have on blockchain vulnerabilities and mitigation strategies. First, we provide new resource estimates for breaking the 256-bit Elliptic Curve Discrete Logarithm Problem, the core of modern blockchain cryptography. We demonstrate that Shor's algorithm for this problem can execute with either <1200 logical qubits and <90 million Toffoli gates or <1450 logical qubits and <70 million Toffoli gates. In the interest of responsible disclosure, we use a zero-knowledge proof to validate these results without disclosing attack vectors. On superconducting architectures with 1e-3 physical error rates and planar connectivity, those circuits can execute in minutes using fewer than half a million physical qubits. We introduce a critical distinction between fast-clock (such as superconducting and photonic) and slow-clock (such as neutral atom and ion trap) architectures. Our analysis reveals that the first fast-clock CRQCs would enable on-spend attacks on public mempool transactions of some cryptocurrencies. We survey major cryptocurrency vulnerabilities through this lens, identifying systemic risks associated with advanced features in some blockchains such as smart contracts, Proof-of-Stake consensus, and Data Availability Sampling, as well as the enduring concern of abandoned assets. We argue that technical solutions would benefit from accompanying public policy and discuss various frameworks of digital salvage to regulate the recovery or destruction of dormant assets while preventing adversarial seizure. We also discuss implications for other digital assets and tokenization as well as challenges and successful examples of the ongoing transition to Post-Quantum Cryptography (PQC). Finally, we urge all vulnerable cryptocurrency communities to join the ongoing migration to PQC without delay.

Preparing high-fidelity logical magic states is crucial for fault-tolerant quantum computation. Among prior attempts to reduce the substantial cost of magic state preparation, magic state cultivation (MSC), a recently proposed protocol for preparing T states without magic state distillation, achieves state-of-the-art efficiency. Inspired by this work, we propose a new MSC procedure that would produce a logical T state on a rotated surface code at a further reduced cost. For our MSC protocol, we define a new code family, the RP^2 code, by putting the rotated surface code on RP^2 (a two-dimensional manifold), as well as two self-dual CSS codes named SRP-3 and SRP-5 respectively. Small RP^2 codes are used to hold logical information and checked by syndrome extraction (SE) circuits. We design fast morphing circuits that enable switching between a distance 3 (5) RP^2 code and an SRP-3 (SRP-5) code on which we can efficiently check the correctness of the logical state. To preserve the high accuracy of the cultivated logical T state, we design an efficient and easy-to-decode expansion stage that grows a small RP^2 code to a large rotated surface code in one round. Our MSC protocol utilizes non-local connectivity, available on both neutral atom array and ion trap platforms. According to our Monte Carlo sampling results, our MSC protocol requires about an order of magnitude smaller space-time volume to reach a target logical error rate around 10^{-9} compared to the original MSC protocol.

Variational optimization of neural-network representations of quantum states has been successfully applied to solve interacting fermionic problems. Despite rapid developments, significant scalability challenges arise when considering molecules of large scale, which correspond to non-locally interacting quantum spin Hamiltonians consisting of sums of thousands or even millions of Pauli operators. In this work, we introduce scalable parallelization strategies to improve neural-network-based variational quantum Monte Carlo calculations for ab-initio quantum chemistry applications. We establish GPU-supported local energy parallelism to compute the optimization objective for Hamiltonians of potentially complex molecules. Using autoregressive sampling techniques, we demonstrate systematic improvement in wall-clock timings required to achieve CCSD baseline target energies. The performance is further enhanced by accommodating the structure of resultant spin Hamiltonians into the autoregressive sampling ordering. The algorithm achieves promising performance in comparison with the classical approximate methods and exhibits both running time and scalability advantages over existing neural-network based methods.

This paper presents ``Stim", a fast simulator for quantum stabilizer circuits. The paper explains how Stim works and compares it to existing tools. With no foreknowledge, Stim can analyze a distance 100 surface code circuit (20 thousand qubits, 8 million gates, 1 million measurements) in 15 seconds and then begin sampling full circuit shots at a rate of 1 kHz. Stim uses a stabilizer tableau representation, similar to Aaronson and Gottesman's CHP simulator, but with three main improvements. First, Stim improves the asymptotic complexity of deterministic measurement from quadratic to linear by tracking the {\em inverse} of the circuit's stabilizer tableau. Second, Stim improves the constant factors of the algorithm by using a cache-friendly data layout and 256 bit wide SIMD instructions. Third, Stim only uses expensive stabilizer tableau simulation to create an initial reference sample. Further samples are collected in bulk by using that sample as a reference for batches of Pauli frames propagating through the circuit.

We present a reproducible, parameter-driven software workflow for optimizing approximate mutually unbiased basis (AMUB) configurations in arbitrary dimensions d using a Lie-algebra unitary parameterization. The workflow is designed for portable execution across CPU, Apple MPS, CUDA-capable GPU, and HPC backends, using a Taylor-series matrix exponential layer as an accelerator compatibility pathway. As a dimension-six case study, we optimize unanchored configurations across 100 random seeds for basis counts n = 3, 4, 5, 6 in complex128 and complex64 arithmetic. The workflow recovers exact three-basis configurations, identifies a recurrent four-basis partial-exact hub-and-triangle structure, and finds no near-exact pairs for n = 5 or n = 6 in the reported campaigns under the primary tolerance. As a hardware-execution check, we embed the representative d = 6, n = 4 transition unitaries into three-qubit 8x8 unitaries and execute the resulting circuits on the 156-qubit Heron processor ibm-marrakesh using subspace post-selection. The measured QPU pairwise losses are dominated by a hardware and compilation noise floor of approximately 0.02-0.08, associated with compiled circuits averaging 37 native CZ gates, which obscures the distinction between classically near-exact and defective pairs. The results provide a reproducible computational framework for exploring AMUB landscapes, together with an initial assessment of the challenges involved in executing optimized dimension-six unitaries on current quantum hardware.

Recently, sample-based quantum diagonalization (SQD) has emerged as a promising approach to compute ground and excited states of problem Hamiltonians.This method classically diagonalizes a Hamiltonian in a subspace that is spanned by samples obtained from a quantum computer. However, by its nature, SQD suffers from a fundamental sampling problem, as some basis states that are required for a targeted accuracy may only be sampled extremely rarely. To alleviate this limitation, we introduce the SQD-AA algorithm that combines SQD with amplitude amplification (AA). SQD-AA uses AA to sequentially reduce probabilities of already measured bitstrings, thus making the observation of new ones more likely. We observe a reduction in the total query complexity of more than a factor 100 for algebraically and exponentially decaying model distributions, and analytically show a quadratic advantage for the latter. Moreover, we evaluate real molecules in an early fault-tolerant scenario and compare SQD-AA to SQD and iterative quantum phase estimation (iQPE). For all considered examples, we observe the lowest total number of T-gates for SQD-AA while only requiring circuits that are 3-4 orders of magnitude shallower than those needed for iQPE. Given this substantial reduction in circuit depth compared to iQPE while saving 2 orders of magnitude in total runtime compared to SQD, we expect a significant regime in early fault-tolerance where SQD-AA runs feasibly, but iQPE circuits are too deep to execute confidently.

We present 1d-qt-ideal-solver, an open-source Python library for simulating one-dimensional quantum tunneling dynamics under idealized coherent conditions. The solver implements the split-operator method with second-order Trotter-Suzuki factorization, utilizing FFT-based spectral differentiation for the kinetic operator and complex absorbing potentials to eliminate boundary reflections. Numba just-in-time compilation achieves performance comparable to compiled languages while maintaining code accessibility. We validate the implementation through two canonical test cases: rectangular barriers modeling field emission through oxide layers and Gaussian barriers approximating scanning tunneling microscopy interactions. Both simulations achieve exceptional numerical fidelity with machine-precision energy conservation over femtosecond-scale propagation. Comparative analysis employing information-theoretic measures and nonparametric hypothesis tests reveals that rectangular barriers exhibit moderately higher transmission coefficients than Gaussian barriers in the over-barrier regime, though Jensen-Shannon divergence analysis indicates modest practical differences between geometries. Phase space analysis confirms complete decoherence when averaged over spatial-temporal domains. The library name reflects its scope: idealized signifies deliberate exclusion of dissipation, environmental coupling, and many-body interactions, limiting applicability to qualitative insights and pedagogical purposes rather than quantitative experimental predictions. Distributed under the MIT License, the library provides a deployable tool for teaching quantum mechanics and preliminary exploration of tunneling dynamics.

Quantum error correction can suppress logical errors exponentially with code distance when physical noise is below threshold. Realizing this on hardware requires tight coordination among quantum gates, mid-circuit measurements, and qubit coherence. Device variation, noise asymmetry, and correlations across space and time complicate the translation of these capabilities into logical error suppression. Here, we study rotated surface-code memory on an IBM Nighthawk r2 processor. Performance varies across tested processor placements, which we attribute to differences in qubit quality. We optimize the code by combining short readout, fused measurement and reset, and an XX echo on data qubits during ancilla readout. Compared with standard readout without reset or echo, the optimized syndrome extraction circuit reduces the median per-round logical error rate by factors of 3.8 in the X basis and 1.4 in the Z basis. In memory experiments of up to 150 rounds, the distance advantage weakens, alongside long-lived correlations that may reflect a persistent error component. Under our optimization recipe, increasing the protected distance from 3 to 6 while holding the other distance fixed reduces the per-round logical error rate from 0.53% to 0.24% in Z memory and from 0.52% to 0.22% in X memory. The corresponding error-suppression factors under maximum-likelihood decoding are 1.68 and 1.85. These results connect circuit compilation and optimization to surface-code memory performance and limitations, and motivate QPU and QEC circuit codesign for fault-tolerant quantum computing primitives on current cloud hardware.

This paper envisions a quantum database (Qute) that treats quantum computation as a first-class execution option. Unlike prior simulation-based methods that either run quantum algorithms on classical machines or adapt existing databases for quantum simulation, Qute instead (i) compiles an extended form of SQL into gate-efficient quantum circuits, (ii) employs a hybrid optimizer to dynamically select between quantum and classical execution plans, (iii) introduces selective quantum indexing, and (iv) designs fidelity-preserving storage to mitigate current qubit constraints. We also present a three-stage evolution roadmap toward quantum-native database. Finally, by deploying Qute on a real quantum processor (origin_wukong), we show that it outperforms a classical baseline at scale, and we release an open-source prototype at https://github.com/weAIDB/Qute.

Atomic-scale simulations have been transformed by machine-learning models that predict the properties of atomistic structures with the accuracy of quantum calculations, but at a small fraction of the cost. These models have increased dramatically in generality, thanks to the availability of synthetic datasets of ever-increasing size and scope. The proliferation of datasets, with properties often computed using different levels of electronic-structure approximation, is problematic, as there is often overlap between different datasets, and strong correlations between structures obtained with short molecular dynamics trajectories or geometry optimization. To address these problems, we introduce a protocol to stratify a dataset into a hierarchy of nested subsets, subsampling from the coarsest to the finest resolution based on an "ecumetric" built to reflect the latent space representation of several popular universal machine-learning interatomic potentials. We then use this approach to combine most of the open structural datasets currently available, consolidating them into MAD-COSMO, a well-organized collection of almost 1.7 billion structures, whose 2^{24} most diverse members form the MAD-CORE stratified coreset, which can be easily used for all sorts of tasks, from exploratory experiments to the training of foundation models at scale. We envision that this collection will guide and help coordinate future efforts, focusing them on the most relevant and/or undersampled regions of chemical and structural space, and that it will be further extended to incorporate the outcomes of the collective work of this community.

Near-term quantum workloads are shaped by coupled compilation and execution choices: qubit layout, routing, basis translation, gate suppression, measurement mitigation, shot budget, and artifact reproducibility. This paper analyzes QBalance, a Python workflow library for dataset-level selection among quantum compilation, noise-suppression, and error-mitigation strategies built on the Qiskit ecosystem. The contribution is formulated as a finite multi-objective strategy-selection problem over circuits, backends, and transformation policies. The manuscript derives the implemented weighted objective, non-dominated selection rule, survival-product error proxy, Bayesian linear candidate-ordering surrogate, and distributional diagnostics. It also positions the system relative to established work on Qiskit pass-manager compilation, SABRE-style routing, randomized compiling, dynamical decoupling, zero-noise extrapolation, matrix-free measurement mitigation, circuit cutting, and Thompson sampling. The analysis shows that QBalance provides a reproducible orchestration and artifact model for quantum workflow studies. It also establishes precise limitations: the current bandit mechanism orders candidates but does not reduce the number of candidate evaluations, the custom layout heuristic is greedy and only partially topology-aware, the implemented ZNE helper is parity-centered, and the cutting integration is a hook rather than a full reconstruction pipeline.

Binary decompilation is fundamental to security tasks such as vulnerability discovery, malware inspection, and executable-only program understanding. Recent LLM-based decompilation methods have shown promising results, but most still follow a single-turn generation paradigm: given assembly code or decompiler-produced pseudo-code, the model generates one output and stops. Consequently, the generated code may appear readable or even compile successfully, yet still deviate from the behavior of the original binary and mislead downstream analysis. This paper presents AutoDecompiler, a decompilation-specialized LLM trained with reinforcement learning for feedback-driven multi-turn binary decompilation. Instead of treating decompilation as one-shot code generation, AutoDecompiler formulates it as an iterative refinement process, where the model revises generated code based on compilation, execution, and input/output testing feedback. To enable this process, we design decompilation-specific rewards that capture code validity, recompilability, execution consistency, and semantic fidelity. We further construct stage-aware diagnostic feedback from compiler errors, execution failures, and failed test cases, and introduce progress-aware trajectory rewarding and turn-aware advantage reweighting to encourage beneficial revisions while suppressing regressions. We train the AutoDecompiler family and evaluate it across different input settings, model scales, and benchmarks. Experimental results show that AutoDecompiler consistently outperforms its single-turn counterparts under the same model size and input setting, achieving clear improvements in behavioral re-executability. These results demonstrate that learning to exploit program feedback with reinforcement learning is an effective direction for improving the functional correctness of LLM-based binary decompilation.

Machine-learning interatomic potentials have become indispensable tools in atomistic simulations. The most popular models rely heavily on physical priors, such as locality, smoothness and symmetry, that are assumed to improve the accuracy and transferability of the trained models. However, recent evidence suggests that, in the data-rich regime, unconstrained models that learn symmetry from the data can achieve very competitive accuracy and computational efficiency, without sacrificing stability and generalization power. Many equivariant symmetric architectures historically rely on the assumption that the interatomic potential can be approximated well by a convergentcluster expansion, i.e., a decomposition in terms associated to atomic pairs, triplets, quadruplets, and higher-order tuples. We describe an architecture that incorporates locality, smoothness, and symmetry priors, but that -- thanks to a computationally efficient tensor product formulation -- does not assume low-order truncation of the body-ordered series.

We introduce fusion-based quantum computing (FBQC) - a model of universal quantum computation in which entangling measurements, called fusions, are performed on the qubits of small constant-sized entangled resource states. We introduce a stabilizer formalism for analyzing fault tolerance and computation in these schemes. This framework naturally captures the error structure that arises in certain physical systems for quantum computing, such as photonics. FBQC can offer significant architectural simplifications, enabling hardware made up of many identical modules, requiring an extremely low depth of operations on each physical qubit and reducing classical processing requirements. We present two pedagogical examples of fault-tolerant schemes constructed in this framework and numerically evaluate their threshold under a hardware agnostic fusion error model including both erasure and Pauli error. We also study an error model of linear optical quantum computing with probabilistic fusion and photon loss. In FBQC the non-determinism of fusion is directly dealt with by the quantum error correction protocol, along with other errors. We find that tailoring the fault-tolerance framework to the physical system allows the scheme to have a higher threshold than schemes reported in literature. We present a ballistic scheme which can tolerate a 10.4% probability of suffering photon loss in each fusion.

Landmark mathematical formalizations have taken specialist teams years to complete. We present FormalFlow, a system that coordinates AI proving agents under human supervision to address statement drift and proof composition in long-horizon formalization. Drawing on software engineering principles and practices, it uses a shared blueprint to guide nested planning, proving and review loops. Agents strengthen verification and review throughout formalization. We completed a machine-checked Lean 4 proof of the quantum soundness of the classical low individual-degree test, a core theorem underlying MIP* = RE. Developing the proof took 63 days; greater parallelism could further reduce this time. The final library contains 126,367 lines of Lean code, all generated by agents. The formalization corrects side conditions and intermediate errors while preserving the published final error bound under corrected assumptions. This work provides a verified foundation for quantum complexity and demonstrates a route to affordable verification of major research proofs by small teams.

Agentic systems use large language models (LLMs) to carry out concrete tasks. Prior work often borrows abstractions such as scheduling, caching or isolation piecemeal from operating systems, so the mechanisms it builds share little common ground, and the shared view of the two forms of agentic system, Workflows and Agents, is limited. We construct an abstract machine that provides both. We treat the LLM as an Oracle and extend a two-stack pushdown automaton with one instruction, which hands the Oracle a whole stack as its query and appends the answer to that same stack. The machine thus performs two computations, the Oracle's and a Turing-complete one that we call the Priestess. A stack that the program only appends to grows autoregressively, as an agent's context does. Two symmetry breakings, S in storage and T in transitions, make a Priestess program the operating system of the programs the Oracle runs, and produce the Agent and the Workflow as the two placements of a task's program. For internally autoregressive Oracles, the two computations synchronize at the end of every answer under certain conditions, and through that synchronization we model caching and analyse scheduling. No guarantee that holds for every Oracle can fix which content crosses between the two computations, but such a guarantee does fix the boundary itself. The construction V fits the machine to a von Neumann computer. To show that it is realizable, we propose ArchNights, an extended RISC-V ISA and a Linux-style operating system implementing the machine by design. ArchNights-SE runs on gem5 as a computer system, becomes an agentic system when it runs an LLM as the Oracle, and will be open source. Agentic systems can then be designed as computer systems are. With a foundation built and a unified view, future work can share invariants and bounds, each with its conditions.

Machine Learning-based quantum error mitigation (ML-QEM) has emerged as a promising approach for improving the performance of noisy quantum algorithms. However, existing ML-QEM methods often have restricted applicability to variational circuits and rely on inaccessible noiseless training data. In this work, we propose a practical ML-QEM protocol tailored to variational quantum algorithms, which generates training data by simulating (near-)Clifford circuits. This data is used for model selection and training, producing a mitigation model that can correct variational circuits with arbitrary parameters and transfer across different target Hamiltonians of similar structure. We benchmark the proposed method on the Variational Quantum Eigensolver (VQE) task for the Sherrington-Kirkpatrick Hamiltonian of up to n=12 qubits under various noise models, analyzing its effect on trainability and comparing its performance against standard Zero-Noise Extrapolation (ZNE). The results demonstrate consistent several-fold error suppression across all tested settings and superior performance over ZNE in the high-noise regime, providing evidence for the applicability of the proposed protocol to present-day NISQ processors.

We present a polynomial-time classical algorithm for estimating expectation values of arbitrary observables on typical quantum circuits under any incoherent local noise, including non-unital or dephasing. Although previous research demonstrated that some carefully designed quantum circuits affected by non-unital noise cannot be efficiently simulated, we show that this does not apply to average-case circuits, as these can be efficiently simulated using Pauli-path methods. Specifically, we prove that, with high probability over the circuit gates choice, Pauli propagation algorithms with tailored truncation strategies achieve an inversely polynomially small simulation error. This result holds for arbitrary circuit topologies and for any local noise, under the assumption that the distribution of each circuit layer is invariant under single-qubit random gates. Under the same minimal assumptions, we also prove that most noisy circuits can be truncated to an effective logarithmic depth for the task of {estimating} expectation values of observables, thus generalizing prior results to a significantly broader class of circuit ensembles. We further numerically validate our algorithm with simulations on a 6times6 lattice of qubits under the effects of amplitude damping and dephasing noise, as well as real-time dynamics on an 11times11 lattice of qubits affected by amplitude damping.

Formal verification of floating-point arithmetic remains challenging due to non-linear arithmetic behavior and the tight coupling between control and datapath logic. Existing approaches often rely on high-level C models for equivalence checking against Register Transfer Level (RTL) designs, but this introduces abstraction gaps, translation overhead, and limits scalability at the RTL level. To address these challenges, this paper presents a scalable methodology for verifying floating-point arithmetic using direct RTL-to-RTL model checking against a golden reference model. The approach adopts a divide-and conquer strategy that decomposes verification into modular stages, each captured by helper assertions and lemmas that collectively prove a main correctness theorem. Counterexample (CEX)-guided refinement is used to iteratively localize and resolve implementation defects, while targeted fault injection validates the robustness of the verification process against precision-critical datapath errors. To assess scalability and practicality, the methodology is extended with agentic AI-based formal property generation, integrating large language model (LLM)-driven automation with Human-in-the-Loop (HITL) refinement. Coverage analysis evaluates the effectiveness of the approach by comparing handwritten and AI-generated properties in both RTL-to-RTL model checking and standalone RTL verification settings. Results show that direct RTL-to-RTL model checking achieves higher coverage efficiency and requires fewer assertions than standalone verification, especially when combined with AI-generated properties refined through HITL guidance.

Intermediate Representations (IRs) play a critical role in compiler design and program analysis, yet their comprehension by Large Language Models (LLMs) remains underexplored. In this paper, we present an explorative empirical study evaluating the capabilities of six state-of-the-art LLMs: GPT-4, GPT-3, DeepSeek, Gemma 2, Llama 3, and Code Llama, in understanding IRs. Specifically, we assess model performance across four core tasks: control flow graph reconstruction, decompilation, code summarization, and execution reasoning. While LLMs exhibit competence in parsing IR syntax and identifying high-level structures, they consistently struggle with instruction-level reasoning, especially in control flow reasoning, loop handling, and dynamic execution. Common failure modes include misinterpreting branching instructions, omitting critical operations, and relying on heuristic reasoning rather than precise instruction-level logic. Our findings highlight the need for IR-specific enhancements in LLM design. We recommend fine-tuning on structured IR datasets and integrating control-flow-sensitive architectures to improve model effectiveness. All experimental data and source code are publicly available at

This paper presents the Functional Machine Calculus (FMC) as a simple model of higher-order computation with "reader/writer" effects: higher-order mutable store, input/output, and probabilistic and non-deterministic computation. The FMC derives from the lambda-calculus by taking the standard operational perspective of a call-by-name stack machine as primary, and introducing two natural generalizations. One, "locations", introduces multiple stacks, which each may represent an effect and so enable effect operators to be encoded into the abstraction and application constructs of the calculus. The second, "sequencing", is known from kappa-calculus and concatenative programming languages, and introduces the imperative notions of "skip" and "sequence". This enables the encoding of reduction strategies, including call-by-value lambda-calculus and monadic constructs. The encoding of effects into generalized abstraction and application means that standard results from the lambda-calculus may carry over to effects. The main result is confluence, which is possible because encoded effects reduce algebraically rather than operationally. Reduction generates the familiar algebraic laws for state, and unlike in the monadic setting, reader/writer effects combine seamlessly. A system of simple types confers termination of the machine.

Bosonic cat qubits stabilized with a driven two-photon dissipation are systems with exponentially biased noise, opening the door to low-overhead, fault-tolerant and universal quantum computing. However, current gate proposals for such qubits induce substantial noise of the unprotected type, whose poor scaling with the relevant experimental parameters limits their practical use. In this work, we provide a new perspective on dissipative cat qubits by reconsidering the reservoir mode used to engineer the tailored two-photon dissipation, and show how it can be leveraged to mitigate gate-induced errors. Doing so, we introduce four new designs of high-fidelity and bias-preserving cat qubit gates, and compare them to the prevalent gate methods. These four designs should give a broad overview of gate engineering for dissipative systems with different and complementary ideas. In particular, we propose both already achievable low-error gate designs and longer-term implementations.

A range of quantum algorithms, especially those leveraging variational parameterization and circuit-based optimization, are being studied as alternatives for solving classically intractable combinatorial optimization problems (COPs). However, their applicability is limited by hardware constraints, including shallow circuit depth, limited qubit counts, and noise. To mitigate these issues, we propose a hybrid classical--quantum framework based on graph shrinking to reduce the number of variables and constraints in QUBO formulations of COPs, while preserving problem structure. Our approach introduces three key ideas: (i) constraint-aware shrinking that prevents merges that will likely violate problem-specific feasibility constraints, (ii) a verification-and-repair pipeline to correct infeasible solutions post-optimization, and (iii) adaptive strategies for recalculating correlations and controlling the graph shrinking process. We apply our approach to three standard benchmark problems: Multidimensional Knapsack (MDKP), Maximum Independent Set (MIS), and the Quadratic Assignment Problem (QAP). Empirical results show that our approach improves solution feasibility, reduces repair complexity, and enhances quantum optimization quality on hardware-limited instances. These findings demonstrate a scalable pathway for applying near-term quantum algorithms to classically challenging constrained optimization problems.

The rapid expansion of capabilities in Large Language Model (LLM) agents has exposed a critical architectural bottleneck: when agents are given access to a flat, monolithic registry of tools, the model must evaluate hundreds or thousands of options simultaneously. This leads to decision-space explosion, context window saturation, and degraded routing accuracy. To address these limitations, this paper presents a hierarchical, skill-based architecture for agentic orchestration. Capabilities are organized as a rooted tree where internal nodes make routing decisions and leaf nodes execute deterministic tasks. The runtime enforces a single-step execution loop governed by a Last-In-First-Out (LIFO) stack, giving the agent a form of memory akin to a Pushdown Automaton, therefore enabling it to track nested execution contexts and resume deterministically from any depth. Capability discovery follows a manifest-driven, lazy-loading protocol: only the immediate children of the active node are loaded, so memory and prompt costs scale with the explored path rather than the global registry. By replacing global memory with localized stack frames, the architecture prevents outputs from one execution branch from leaking into another, establishing the isolation guarantees required for deployment in regulated enterprise environments. We also discuss UPI Help, an AI-powered digital payments support product, as a motivating production deployment context. We provide a mathematical formalization of the orchestration state, detailed algorithmic analysis of the execution loop, and controlled benchmarks comparing flat and hierarchical routing under increasing tool catalogs, multi-step workflow pressure, and visible schema-token exposure per LLM call.

As the field of quantum computing grows, novel algorithms which take advantage of quantum phenomena need to be developed. As we are currently in the NISQ (noisy intermediate scale quantum) era, quantum algorithm researchers cannot reliably test their algorithms on real quantum hardware, which is still too limited. Instead, quantum computing simulators on classical computing systems are used. In the quantum circuit model, quantum bits (qubits) are operated on by quantum gates. A quantum circuit is a sequence of such quantum gates operating on some number of qubits. A quantum gate applied to a qubit can be controlled by other qubits in the circuit. This applies the gate only to the states which satisfy the required control qubit state. We particularly target FPGAs as our main simulation platform, as these offer potential energy savings when compared to running simulations on CPUs/GPUs. In this work, we present a memory access pattern to optimise the number of iterations that need to be scheduled to execute a quantum gate such that only the iterations which access the required pairs (determined according to the control qubits imposed on the gate) are scheduled. We show that this approach results in a significant reduction in the time required to simulate a gate for each added control qubit. We also show that this approach benefits the simulation time on FPGAs more than CPUs and GPUs and allows to outperform both CPU and GPU platforms in terms of energy efficiency, which is the main factor for scalability of the simulations.

In LLM inference, the same prompt may yield different outputs across different runs. At the system level, this non-determinism arises from floating-point non-associativity combined with dynamic batching and GPU kernels whose reduction orders vary with batch size. A straightforward way to eliminate non-determinism is to disable dynamic batching during inference, but doing so severely degrades throughput. Another approach is to make kernels batch-invariant; however, this tightly couples determinism to kernel design, requiring new implementations. This coupling also imposes fixed runtime overheads, regardless of how much of the workload actually requires determinism. Inspired by ideas from speculative decoding, we present LLM-42, a scheduling-based approach to enable determinism in LLM inference. Our key observation is that if a sequence is in a consistent state, the next emitted token is likely to be consistent even with dynamic batching. Moreover, most GPU kernels use shape-consistent reductions. Leveraging these insights, LLM-42 decodes tokens using a non-deterministic fast path and enforces determinism via a lightweight verify-rollback loop. The verifier replays candidate tokens under a fixed-shape reduction schedule, commits those that are guaranteed to be consistent across runs, and rolls back those violating determinism. LLM-42 mostly re-uses existing kernels unchanged and incurs overhead only in proportion to the traffic that requires determinism.

We scale a CUDA-Q-native pipeline coupling a generative quantum eigensolver (GQE) to quantum-selected configuration interaction (QSCI) across active spaces of 14 to 44 qubits, applied to the extreme-ultraviolet (EUV) photoresist chemistry of monoalkyltin oxo-hydroxides. A GPT-2 policy emits UCCSD operator sequences; sampled bitstrings become determinants, diagonalised classically, and a cross-circuit generalised-eigenvalue refinement makes every reported GQE+QSCI energy a variational upper bound. Every rung from 14 to 40 qubits carries an exact CASCI or FCI reference, up to 166 million determinants for SnO at 32 qubits. The pipeline is chemically accurate, below 1.6 mHa, through 30 qubits on methyltin trihydroxide and through 32 on SnO, on the best seed at the top rungs. Circuit depth rather than training length is the scaling lever; the refined subspace grows near-linearly with the operator count while staying a vanishing fraction of the determinant space, 0.017% at the 32-qubit SnO rung. It also runs on the 54-qubit IQM Emerald processor, at the shallow depths its routed two-qubit gates allow, reaching +0.330 mHa for SnO at 14 qubits from a CCSD-amplitude-ordered pool prefix and +3.92 mHa for the industrial n-butyltin ligand at 22 qubits from depth-truncated trained circuits under per-circuit readout self-calibration, 81% of the active-space correlation; classical configuration recovery on those counts tightens the 22-qubit result to +0.18 to 0.21 mHa. For the methyl resist, ionisation collapses the classical UCCSD(T) Sn-C bond dissociation energy from 72.6 to 21.2 kcal/mol, the switch that flips solubility on exposure. Against that, the 40-qubit result is support-limited at 22.8 mHa, the full trained ansatz on hardware awaits better fidelities, and classical subspace expansion reaches the 32 to 40-qubit spaces with no quantum sampler, so that boundary is mapped, not beaten.

Qiskit is an open-source quantum computing framework that allows users to design, simulate, and run quantum circuits on real quantum hardware. We explore post-training techniques for LLMs to assist in writing Qiskit code. We introduce quantum verification as an effective method for ensuring code quality and executability on quantum hardware. To support this, we developed a synthetic data pipeline that generates quantum problem-unit test pairs and used it to create preference data for aligning LLMs with DPO. Additionally, we trained models using GRPO, leveraging quantum-verifiable rewards provided by the quantum hardware. Our best-performing model, combining DPO and GRPO, surpasses the strongest open-source baselines on the challenging Qiskit-HumanEval-hard benchmark.

Machine-learned interatomic potentials trained across the periodic table have made atomistic simulation broadly accessible, and specializing them to a single compound class is widely expected to improve accuracy. Yet examples remain scarce, and fewer still surpass universal models in speed or reach a higher level of electronic-structure theory. Here we present a potential that is universal within the class of water-free solid-state hydrogen-bond network mediated proton conductors rather than across chemistry and a database of 4.4 million first-principles configurations spanning 55 materials. It surpasses leading general-purpose potentials across this domain, recovering measured activation energies and the ordering of anion rotational dynamics that those models miss; agreement on static structure does not imply agreement on transport. Accuracy falls for compositions far from the training set but stays competitive for close structural relatives, and a higher level of electronic-structure theory is reached with a few hundred additional configurations per material. We further introduce a compact variant carrying a fifth of the parameters, faster still and yet more accurate than every general-purpose model tested. It sustains more than a quarter of a million atoms on a single graphics processor, placing grain boundaries and the transition into the highly conducting phase within reach, and making a quantum treatment of the protons affordable. Reference accuracy and accessible system size thus become largely independent, offering a template for other compound classes.