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01.
arXiv (quant-ph) 2026-06-17

Hamiltonian description of nonreciprocal interactions

arXiv:2505.05246v5 Announce Type: replace-cross Abstract: In a vast class of systems, which includes members as diverse as sedimenting particles and bird flocks, interactions do not stem from a potential, and are in general nonreciprocal. Thus, it is not possible to define a conventional energy function, nor to use analytical or numerical tools that rely on it. Here, we overcome these limitations by constructing a Hamiltonian that includes auxiliary degrees of freedom; when subject to a constraint, this Hamiltonian yields the original nonreciprocal dynamics. We show that Glauber dynamics based on the constrained Hamiltonian reproduce both stationary and nonstationary states of the original Langevin dynamics, as we explicitly illustrate for dissipative XY spins with vision-cone interactions. Further, the symplectic structure inherent to our construction enables us to apply the well-developed notions of Hamiltonian engineering, which we demonstrate by varying the amplitude of a periodic drive to tune the spin interactions between those of a square and a chain lattice geometry. Overall, our framework for generic nonreciprocal pairwise interactions paves the way for bringing to bear the full conceptual and methodological power of conventional statistical mechanics and Hamiltonian dynamics to nonreciprocal systems.

02.
arXiv (CS.CV) 2026-06-24

Latent Visual States for Efficient Multimodal Reasoning

The integration of visual evidence has significantly enhanced the capabilities of large multimodal models. However, this integration predominantly relies on generating discrete outputs (etc., code or box coordinates) to invoke external tools, a process that introduces rigid dependencies and substantial latency. To overcome these limitations, we propose {EVA} (LatEnt Visual StAtes), a novel framework that natively generates continuous latent visual representations. These internal representations manifest as an adaptive sequence of Latent\_slot tokens, serving as intermediate visual thoughts during the reasoning process. These Latent\_slot tokens are then trained end-to-end with the discrete text tokens. This co-optimization, notably, causes extreme policy deviation in the 'transition window' following the Latent\_slot tokens. We develop D-GSPO (Decouple-GSPO) to target this root cause by decoupling the optimization of latent and discrete components. To support SFT, we construct EVA-230K, a high-quality text-image interleaved CoT dataset encompassing a diverse range of real-world scenes, documents, charts and OCR tasks. Extensive experiments across multiple benchmarks confirm that EVA achieves significant performance gains while enhancing inference efficiency.

04.
arXiv (quant-ph) 2026-06-16

Finite-Dimensional Type I von Neumann Algebras in PyTorch: A GPU-Accelerated Framework for Random Block-Diagonal Operators

arXiv:2606.15882v1 Announce Type: cross Abstract: We present \texttt{torch\_vn\_algebra}, an open-source Python library built on PyTorch for numerical experiments with finite-dimensional Type I von Neumann algebras (direct sums of matrix algebras). The library provides: $\bullet$ a compact batched tensor representation $(B,C,k_{\max},k_{\max})$ that handles both Monte Carlo samples and multiple direct summands; $\bullet$ lazy evaluation of operators to avoid unnecessary memory allocation; $\bullet$ generation of random operators with arbitrary eigenvalue distributions (user-provided samplers) and various unitary ensembles (Haar, $\mathrm{SU}(n)$, COE, CSE, diagonal phases); $\bullet$ functional calculus via SVD (absolute value, square root, inverse, entropy) and a hybrid method for extreme eigenvalues (exact diagonalisation for $k_{\max}\le256$, otherwise power iteration); $\bullet$ three trace functionals (blunt, normalised subspace trace, and the von Neumann tracial state); $\bullet$ GPU-accelerated batched linear algebra for moderate-scale Monte Carlo studies (e.g., $2\times10^4$ samples of $100\times100$ operators). The library is validated against analytical expectations (Haar moments, trace properties). Performance benchmarks on a Tesla P100 GPU are presented and discussed. Limitations and future work are outlined. The code is open-source.

05.
arXiv (CS.AI) 2026-06-24

Fast and Slow Variational Continual Learning

arXiv:2606.24007v1 Announce Type: cross Abstract: Continual learning remains a major challenge for modern deep networks, partly because commonly used optimizers lack inherent mechanisms for continual adaptation. One such natural mechanism is fast and slow adaptation to balance stability and plasticity. This mechanism has deep roots in neuroscience and biology, but there is no consensus on how to best incorporate it in commonly used optimizers. Here, we show that this can be easily done via the VCL framework, where past posteriors are used as priors in the future. Our key idea is to incorporate slow adaptation via merging of past posteriors to slow down the drift in the knowledge as learning progresses. The merged posterior is then used as the prior in the VCL update to implement the fast-weight updates. These steps can be seamlessly implemented in the IVON optimizer, whose form and costs are nearly identical to that of Adam. We call this new optimizer the Continual IVON (CoVON) optimizer and show that it not only consistently improves over existing VCL optimizers, but also performs better than other weight-regularization strategies across domain-incremental learning, continual pre-training, and fine-tuning of large language models.

06.
arXiv (quant-ph) 2026-06-15

Bandstructure of a coupled BEC-cavity system: effects of dissipation and geometry

arXiv:2504.17730v2 Announce Type: replace-cross Abstract: We present a theoretical model for a transversally driven Bose-Einstein condensate coupled to an optical cavity. We focus on the interplay between different coherent couplings, which can trigger a structural phase transition, known as the superradiant phase transition. Our approach, based on band structure theory and a mean-field description, enables a comprehensive analysis of the nature of the system's excited modes, precursing the phase transitions. By incorporating dissipative couplings, intrinsic to these systems, we find non-Hermitian phenomena such as the coalescence of crossing precursor modes and the emergence of exceptional points (EPs). The general formulation of our model allows us to explain the role of an angle between transverse pump and the cavity deviating from $90^\circ$. This offers us a unified perspective on the plethora of different implementations of such systems.

07.
arXiv (CS.CV) 2026-06-24

3DCarGen: Scalable 3D Car Generation via 3D-consistent Multi-view Synthesis

High-quality 3D vehicle assets are essential for autonomous driving simulation. Although multi-view diffusion-based paradigms enable controllable single-image reconstruction, they typically produce limited viewpoints and exhibit cross-view geometric inconsistencies, thereby reducing reconstruction fidelity in real-world scenarios. In this work, we introduce 3DCarGen, a scalable single-view 3D car generation framework designed for real-world images by synthesizing an arbitrary number of 3D-consistent multi-view images. Specifically, given a single image as input, we first synthesize a set of images from fixed viewpoints. These images are then fed into a feed-forward reconstruction model, resulting in a coarse 3D representation based on 3D Gaussian Splatting. Conditioned on this explicit 3D prior, our multi-view diffusion model generates 3D-consistent images from arbitrary camera viewpoints. We further extend a fast mesh reconstruction algorithm by incorporating color-normal joint optimization to recover detailed and coherent 3D vehicle models from the synthesized dense views. Extensive experiments on synthetic and real-world datasets demonstrate that our approach achieves robust geometric consistency and reconstruction fidelity compared to existing methods. Code and models will be released.

08.
arXiv (CS.AI) 2026-06-16

Learning aligned EEG representations with subject-specific encoders

arXiv:2606.16462v1 Announce Type: cross Abstract: Cross-subject EEG decoding promises more training data, but it also exposes neural networks to strong inter-subject distribution shifts. We study whether task supervision and architecture alone can learn subject-aligned representations. We replace a shared EEG encoder with subject-specific encoders followed by a common classifier, and compare this hybrid model with standard EEGNet, AttentionBaseNet, and CTNet baselines with Euclidean Alignment (EA) on four motor-imagery datasets. EA improves shared encoders by recentering subject covariances, but the hybrid encoder largely internalises this role: validation-loss curves and latent-distance analyses change little when EA is removed. Subject-specific heads increase class distinctiveness and place each subject close to its own latent manifold, improving most subjects while leaving a method-sensitive subset. These results support subject-specific encoders as a learned alignment mechanism for EEG decoding and identify head selection for unseen subjects as the remaining bottleneck.

10.
Nature Medicine 2026-06-17

General-purpose chatbots outperform clinical AI tools on physicians’ real-world questions

作者: 未知作者

Specialized clinical AI tools are entering medical practice with little independent testing. In a head-to-head evaluation across two public benchmarks and real questions from physicians, three general-purpose frontier large language models outperformed two leading clinical AI tools, which performed no better than Google search AI overview.

11.
arXiv (CS.LG) 2026-06-19

Pseudo-Formalization for Automatic Proof Verification

arXiv:2605.20531v2 Announce Type: replace-cross Abstract: Reliable verification of proofs remains a bottleneck for training and evaluating AI systems on hard mathematical reasoning. Fully formal proofs, in languages like Lean, are easy to verify because they are unambiguous and modular. Most proofs, particularly those written by AI systems, have neither property, and translating them into formal languages remains challenging in many frontier math settings. We propose Pseudo-Formalization (PF), a proof format that captures the modularity and precision of formal proofs while retaining the flexibility of natural language. A Pseudo-Formal proof is decomposed into self-contained modules, each stating its premises, conclusion, and proof in natural language. To verify the correctness of a regular natural language proof, an LLM translates it to Pseudo-Formal and then verifies each module independently, an algorithm we call Block Verification (BV). We evaluate PF+BV on two benchmarks spanning olympiad and research-level mathematics, where it pareto-dominates LLM-as-judge baselines on error-finding precision and recall. To support future work, we release our research-level proof verification benchmark ArxivMathGradingBench.

12.
arXiv (CS.LG) 2026-06-12

When to Align, When to Predict: A Phase Diagram for Multimodal Learning

arXiv:2606.11190v2 Announce Type: replace Abstract: Cross-modal alignment (CA) and cross-modal prediction (CP) are the dominant paradigms for multimodal representation learning, yet there is no systematic understanding of when each succeeds, when each fails, and when cross-modal training helps at all – a gap that leaves practitioners, especially in scientific domains like biomedicine or astrophysics, with heterogeneous instruments and multiple levels of organization and measurement, unable to diagnose why standard methods underperform the best single modality. We develop a unified linear framework that addresses both questions. Under a spiked signal-plus-noise model with structured cross-modal nuisance correlation, we derive separation ratios for both objectives that expose complementary failure modes: alignment whitens each modality and fails when nuisance is strongly correlated across views; prediction encodes whatever is cross-predictable through a one-sided whitening, with recovery governed by source-modality quality. The resulting phase diagram partitions multimodal problems into four regimes: Both, CA only, CP only, and Neither. We present a data-driven procedure to locate real-world datasets in this diagram using a small labeled subsample, identifying the preferred objective and prediction direction before any cross-modal training. Experiments on synthetic data, stereo-vision benchmarks, image-caption pairs, and real astrophysical data validate the predictions in the nonlinear regime, including the Neither regime where cross-modal training is actively harmful. Our framework lets practitioners diagnose their multimodal problem and choose the right objective before committing to training. Code to reproduce the results is available at https://github.com/IlayMalinyak/mm_align_vs_pred.

13.
arXiv (quant-ph) 2026-06-11

Planted-Solution Pauli Hamiltonians as a Quantum Benchmarking Primitive

arXiv:2606.11455v1 Announce Type: new Abstract: We introduce a construction of Pauli Hamiltonians with exactly known ground-state energies, intended as reference instances for ground-state energy estimation algorithms. The construction embeds a planted block-product state as the simultaneous ground state of a sum of frustration-free local clauses on overlapping supports, exposes the resulting model only as a polynomial-size linear combination of Pauli operators, and admits optional Clifford conjugation that preserves the spectrum. The framework subsumes classical planted constraint-satisfaction problems as a diagonal special case, providing a direct embedding channel through which classical hardness properties can be inherited. Open-source software, certification keys, and example instances are made publicly available.

14.
arXiv (CS.CV) 2026-06-18

Spiking Pyramid Wavelet Transformation for High-efficient and Low-energy Image Restoration

Spiking neural networks (SNNs) have garnered significant interest in computer vision due to their potential for efficiency and biological inspiration. While spiking CNN-based methods have shown promise for image restoration (IR) tasks, their performance is constrained by the inherent receptive field limitations of CNN operations. In the paper, we explore the benefits of discrete wavelet transformation and propose a spiking pyramid wavelet-based model (SPWM) for high-efficient and low-energy target. Specifically, we develop a spiking dual pyramid wavelet (SDPW) block to model long-range dependency and exploit the properties of the degradation in the wavelet domain. Experimental results on several benchmarks demonstrate that SPWM significantly lowers computational costs and energy consumption while maintaining image quality. Our method showcases the potential of SNNs in the field of IR, offering new insights for future applications of resource-limited devices.

15.
bioRxiv (Bioinfo) 2026-06-18

Population-associated molecular variation in histologically normal breast tissue is context-dependent and associated with distinct transcriptional states

Population-associated molecular variation in breast tissue may contribute to differences in tissue biology and disease susceptibility, yet the extent to which such variation is shaped by underlying tissue states remains unclear. Here, we performed RNA-seq and lipidomic profiling of histologically normal breast tissue samples from African American (AA) and Caucasian White (CW) individuals, followed by conceptual integration of the resulting transcriptomic and lipidomic patterns. Unsupervised analysis revealed two distinct baseline transcriptional states (G1 and G2) that defined the primary axis of molecular variation across the cohort and corresponded to epithelial-enriched (G1) and vascular-enriched (G2) tissue contexts as determined by cell-type deconvolution. Global comparisons between AA and CW samples showed minimal transcriptomic differences, with only a single gene reaching significance after multiple testing correction. However, when stratified by baseline tissue state, 191 genes were differentially expressed within G1, with coordinated upregulation of extracellular matrix organization and proliferative/cytoskeletal processes in AA samples. These patterns were consistently supported across multiple enrichment approaches. No comparable population-associated differences were observed within G2. Lipidomic analyses showed partial but non-significant trends consistent with transcriptomic structure, suggesting that lipid variation provides complementary but limited support for baseline molecular differences, likely reflecting constraints of bulk tissue composition. Together, these findings suggest that population-associated molecular differences in normal breast tissue are context-dependent and emerge within specific baseline transcriptional states, where distinct biological programs can coexist and be differentially modulated. These findings highlight the importance of tissue heterogeneity in shaping molecular variation and its potential relevance to disease-associated tissue states.

16.
arXiv (quant-ph) 2026-06-16

Hardy and Cabello Arguments in Spatial and Temporal Frauchiger-Renner Scenarios

arXiv:2606.15467v1 Announce Type: new Abstract: We investigate Hardy- and Cabello-type logical structures within spatial and temporal extensions of the Frauchiger–Renner (FR) framework, embedding these constructions directly into the FR multi-observer architecture. In the spatial multi-observer scenario, both Hardy and Cabello contradictions arise, with the Cabello construction yielding the stronger violation,$\(\Delta_Cabello^{\max}=0.1078\)$, which exceeds the maximal Hardy probability $\(P_{H}^{\max}=\frac{5\sqrt{5}-11}{2}\approx 0.09017\)$. We then develop a sequential temporal FR protocol based on coherent multi-observer measurements performed on a single spin-$\tfrac12$ system. In this temporal setting, the Hardy contradiction disappears identically due to dynamical constraints imposed by sequential state updates, whereas a finite Cabello-type violation survives, \(\Delta_Cabello^{\max}\approx 0.0674\). Our results establish a fundamental structural distinction between spatial entanglement and temporal multi-observer correlations in FR-type logical scenarios, and demonstrate that certain observer-independent description failures persist even without spacelike separation.

17.
arXiv (CS.CV) 2026-06-19

OncoReg: Medical Image Registration for Oncological Challenges

In modern cancer research, the vast volume of medical data generated is often underutilised due to challenges related to patient privacy. The OncoReg Challenge addresses this issue by enabling researchers to develop and validate image registration methods through a two-phase framework that ensures patient privacy while fostering the development of more generalisable AI models. Phase one involves working with a publicly available dataset, while phase two focuses on training models on a private dataset within secure hospital networks. OncoReg builds upon the foundation established by the Learn2Reg Challenge by incorporating the registration of interventional cone-beam computed tomography with standard planning fan-beam CT images in radiotherapy. Accurate image registration is crucial in oncology, particularly for dynamic treatment adjustments in image-guided radiotherapy, where precise alignment is necessary to minimise radiation exposure to healthy tissues while effectively targeting tumours. This work details the methodology and data behind the OncoReg Challenge and provides a comprehensive analysis of the competition entries and results. Findings reveal that feature extraction plays a pivotal role in this registration task. A new method emerging from this challenge demonstrated its versatility, while established approaches continue to perform comparably to newer techniques. Both deep learning and classical approaches still play significant roles in image registration, with the combination of methods, particularly in feature extraction, proving most effective.

18.
arXiv (CS.AI) 2026-06-16

Frame-Conditioned Moral Computation in LLaMA 3.1-8B-Instruct: A Mechanistic Interpretability Audit of Ethical Reasoning

arXiv:2606.15507v1 Announce Type: new Abstract: Behavioral audits of Large Language Models on moral prompts measure what the model says, not the internal computation producing it. We use Transluce, an AI-driven mechanistic-interpretability platform, to examine LLaMA 3.1-8B-Instruct on 54 moral prompts in four batteries: 17 dilemmas, policy, and meta-ethical questions (B1); 6 role-playing scenarios (B3); and a controlled trolley contrast varying the switching mechanism with people fixed (B4, 15 prompts) or identity attributes with mechanism fixed (B5, 16 prompts). Two complementary metric families, five cluster-level metrics and a six-metric neuron-level panel, converge on a Situational Anchor Effect: domain-specific representations dominate the top of the activation list across every battery. The model's ethics-labeled capacity stays essentially constant; its salience (rank, priority, top-of-list presence) is highly sensitive to the interpretive frame the prompt selects. The B4-vs-B5 contrast confirms the model attends to whichever surface feature varies: aggregate ethics metrics are indistinguishable, but the dominant non-ethics distractor mirrors the design. A multi-temperature audit identifies a candidate ethics neuron (L16/N3837) stable across temperatures; a cross-model behavioral proxy on two frontier models yields preliminary evidence of divergence in self-reported moral focus, consistent with an Alignment Wrapper in which RLHF re-orders surface text without removing underlying domain-first frames. We unify these as Frame-Conditioned Moral Computation: the prompt's surface vocabulary selects a feature manifold, and the moral conclusion is downstream of that selection. Behavioral alignment must be supplemented by Mechanistic Alignment: a research program asking whether ethics-related features can be shown causally privileged under controlled frame variation, not merely loud in the explanation.

19.
arXiv (CS.AI) 2026-06-24

Rapid FinFET Modelling Using an Autoencoder

arXiv:2606.24046v1 Announce Type: cross Abstract: This work presents a machine learning framework that leverages an autoencoder (AE) for the efficient modeling of FinFET. We first calibrated a BSIM-CMG model to generate a dataset of current-voltage (ID-VG) characteristics. This data was used to train an autoencoder that compresses full I-V curves into a low-dimensional latent space, which intrinsically encodes key device physics. A key innovation is the explicit incorporation of parameter such as drain to source voltage (VDS) as an input feature, enhancing the model ability to capture bias dependent variation. The trained model successfully reconstructs full I-V curves and directly extracts critical device metrics including threshold voltage (VTH), subthreshold slope (SS), and peak transconductance (gm). This approach demonstrates that data driven compact models, built from actual characterization data, can achieve high accuracy with minimal training data, providing a powerful tool for rapid device characterization, modelling and circuit level simulation.

20.
arXiv (quant-ph) 2026-06-12

A ribbon ZX calculus for gauge theory

arXiv:2606.13551v1 Announce Type: cross Abstract: ZX calculus provides a graphical formalism for reasoning about quantum processes, built from two interacting Frobenius algebras associated with the Z and X bases of a qubit. While it has found widespread application in quantum information and computing, its relationship to quantum field theory has only recently begun to be explored. In this work, we further develop this connection by providing a generalization of ZX calculus to two-dimensional Yang Mills theory with a compact gauge group. The key observation is that both frameworks can be organized around the Hopf Frobenius algebraic structure associated with a group algebra, which can in turn be described by the diagrammatics of two dimensional topological quantum field theory. Given the well known relationship between gauge theory and gravity in two and three dimensions, our work paves the way for applications of ZX to low dimensional gravity.

21.
arXiv (CS.LG) 2026-06-16

Learning Topological Representations for Molecular Dynamics

arXiv:2606.14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings. Designing descriptors that are both expressive and broadly applicable, however, remains challenging. We study persistent homology (PH) as a general-purpose representation for MD and introduce the masked Flood complex, a protein-tailored modification of a recently introduced simplicial complex construction that emphasizes inter-residue structure at low computational cost. Vectorized persistence diagrams then provide information-rich, geometry-aware summaries of protein conformations, which we evaluate on protein class prediction, frame-level observable regression, and Markov state model (MSM) estimation from learned low-dimensional coordinates in a single shared representation space. Results on the mdCATH dataset show that PH-based descriptors are competitive across tasks, with masked Flood PH yielding the most consistent overall performance. Further, when using topologically-informed MSMs as a drop-in replacement within the recent MarS-FM framework for generative modeling of protein conformations, we obtain consistently better ensemble statistics than MSMs based on physical observables. Finally, we explore the transferability of the generative model to qualitatively different, fast folding, proteins.

22.
medRxiv (Medicine) 2026-06-18

Chest X-Ray as a critical screening tool for Household Contacts of TB: Lessons from Three Years of Programmatic Data in India

Introduction: Household contacts (HHCs) of pulmonary TB patients remain at high risk for TB infection and disease progression, yet many remain asymptomatic and are missed by symptom-screening pathways. While India expanded its TB preventative guidelines to include all HHCs in 2021, chest X-ray (CXR) screening continues to be used selectively, representing a missed opportunity in early case detection. Methods: The analysis uses programmatic data from Project JEET 2.0 (Joint Effort for Elimination of Tuberculosis), implemented by the William J. Clinton Foundation in India, between October 2021 and March 2024. Eligible HHCs (>=5 years) were offered CXR screening as part of TB preventive therapy (TPT) evaluation. Descriptive and multivariable analyses examined predictors of CXR uptake and TB yield. A two-stage logistic regression model estimated potential TB yield under universal CXR coverage. Model performance was evaluated using the area under the curve (AUC), and bootstrap simulations generated counterfactual estimates of missed TB cases. Results: Among 1,034,621 HHCs, 1.02% individuals were found positive for TB, which includes 7,786 HHCs who were on TB treatment already, while an additional 2,812 were identified during pre-TPT evaluation. Among eligible HHCs (n = 1,026,835), 70% were screened with CXR, of which 2.4% had suggestive TB findings. Of these, 79% went for further TB assessment. Symptomatic HHCs were more likely to be CXR screened (84% vs 69%) and assessed for TB, yet two-thirds of all detected TB cases were asymptomatic. It is estimated that universal CXR coverage and TB testing for suggestive cases can increase TB detection by at least 87%. Conclusion: The study provides a scalable approach to expand CXR coverage through public-private partnerships, enabling early TB detection among HHCs, especially among asymptomatic contacts. Future implementations will benefit from integrating AI-enabled reading, along with systematic follow up for those with suggestive findings.

23.
arXiv (CS.CL) 2026-06-15

Fragile Knowledge, Robust Instruction-Following: The Width Pruning Dichotomy in Llama-3.2

作者:

Structured width pruning of GLU-MLP layers in Llama-3.2 models, guided by the Peak-to-Peak Magnitude (PPM) criterion, reveals a systematic dichotomy in how reducing the expansion ratio affects different model capabilities. While performance on tasks relying on parametric knowledge (e.g., MMLU, GSM8K) and perplexity metrics degrades predictably with decreasing expansion ratios, instruction-following capabilities improve at the 2.4x equilibrium ratio (IFEval: +4.8 points / +46% in Llama-3.2-1B and +3.7 points / +39% in Llama-3.2-3B), and multi-step reasoning remains robust (MUSR). This pattern, observed consistently across both evaluated model sizes, challenges the prevailing assumption in compression research that pruning induces uniform degradation. To investigate this, we evaluated seven expansion ratio configurations using comprehensive benchmark suites that assess factual knowledge, mathematical reasoning, language comprehension, instruction-following, and truthfulness. Our analysis identifies the expansion ratio as a critical architectural parameter that selectively reshapes the model's task performance profile, rather than merely serving as a compression metric.

24.
arXiv (math.PR) 2026-06-17

How long does it take to train an Elephant Random Walk

作者:

arXiv:2509.15049v2 Announce Type: replace Abstract: We study how conditioning on the first $k$ steps, which we think of as training, affects the long-term behavior of the Elephant Random Walk. When the elephant is conditioned to be at position $k$ at time $k$, the first return time to the origin scales as $k^{(4-4p)/(3-4p)}$ in the diffusive regime, and grows exponentially in the critical regime. We loosely interpret this as a measurement of the rate at which the elephant forgets its training.

25.
bioRxiv (Bioinfo) 2026-06-19

Nickel-Driven Dynamics of Urease in Sporosarcina pasteurii: Integrated Computational and Experimental Insights

Urease is a nickel-dependent enzyme that plays an important role in urea hydrolysis and in a process named as microbial-induced calcium carbonate precipitation (MICP), which is widely used in sustainable environmental biotechnology. Despite its ecological importance, urease powers Biogrout (biocementation), a promising green technology for soil stabilization and infrastructure repair. Yet, the relationship between nickel availability, enzyme activation, and bacterial fitness remains poorly understood. In this study, we reveal a striking dual effect of nickel on Sporosarcina pasteurii: while high Ni2+ concentrations strongly inhibit growth (IC50 {approx} 637.7 {micro}M), they simultaneously boost specific urease activity up to six-fold. This uncoupling between biomass and enzymatic efficiency highlights a previously overlooked adaptive strategy under metal stress. Using structural bioinformatics and molecular docking, we show that Ure1–the catalytic subunit–exhibits the strongest nickel affinity (-4.3 kcal{middle dot}mol-1), supported by highly conserved active-site residues, whereas accessory proteins UreE and UreG display moderate and weak binding, consistent with their roles in metal delivery and GTP-dependent maturation. In addition, microscopic observations confirmed that calcium carbonate precipitation was most pronounced at intermediate nickel concentrations (approximately 400-1000 {micro}M), whereas higher concentrations ([≥]1000-1300 {micro}M) led to reduced mineral formation due to loss viable cells. Taken together, these results indicates that nickel availability controls both urease activation and bacterial fitness, and that an optimal balance is required to maximize biomenerilization efficiency in environmental applications, particularly in biocementation technology.