Papers

Additive friction stir deposition (AFSD) involves coupled thermal and material-flow fields governed by frictional heating, plastic deformation, and tool-imposed boundary conditions. High-fidelity finite-volume methods (FVMs) can resolve these fields but are computationally expensive, while constant-property approximations can distort the predicted thermo-mechanical response. This work develops a steady-state multi-task coupled physics-informed neural network (MCoPINN) to predict three-dimensional temperature and material-flow fields while reconstructing temperature-dependent thermal conductivity, density, and specific heat from sparse property measurements. A theoretical analysis decomposes prediction error into property reconstruction and neural field-solver contributions and characterizes the discrepancy associated with constant-property models. A controlled one-dimensional nonlinear-conduction study evaluates property reconstruction under sparse measurements. The framework is then evaluated for AFSD against a temperature-dependent FVM benchmark and experimental thermocouple measurements. MCoPINN reproduces the reference thermal and material-flow fields and reduces average temperature root-mean-square error from 50.13 K for the constant-property CoPINN to 30.28 K across four traverse speeds. MCoPINN requires approximately 8.5 hours of training per condition, compared with 52 hours for the FVM benchmark. These results demonstrate computationally efficient, physics-coupled prediction with temperature-dependent material properties.

Extreme values of a physical system are rare by definition, yet they can govern some of its most consequential and anomalous behavior. Their sparsity makes them particularly costly to identify in large data sets. Quantum computation offers a potential way to reduce this cost. The challenge is that quantum amplitudes cannot simply be read, copied, compared, or marked using conventional search oracles. Here we introduce an algorithm for searching amplitude-encoded quantum signals that exploits their underlying structure. Through a nonlinear amplitude transformation, the algorithm identifies and certifies a global extremum while exponentially reducing the effective search space for structured signals. We establish a polylogarithmic query complexity in the data size $N$, together with global completeness, efficient classical verification, and a measurable criterion for quantifying exploitable structure. We demonstrate the framework using computational turbulence data. Applied to line cuts of velocity gradients from a $1024^3$ simulation containing more than one billion grid points, the algorithm consistently isolates the extreme tail and reduces the median search space to $O(\log N)$. The clustered structure characteristic of turbulence further accelerates the search. These results establish a direct connection between physical structure and quantum advantage in extreme-value search. For accessibility, the main text emphasizes the central ideas and results, while the theoretical derivations are provided in the Appendices.

Flashblocks divide a block's priority gas auction into shorter sequential auctions that commit transaction order before the block is complete. We ask how this auction cadence affects bidding and competition among automated arbitrageurs, or searchers. In July 2025 Base replaced a single 2 s auction with ten 200 ms auctions. We use this change to estimate the searcher response from on-chain data alone. On an address-day panel of 3,032 searchers and 8,053 activity-matched controls, a difference-in-differences design estimates a 0.187 gwei fall in the effective priority fee (59% of the searcher pre-period mean). The share of searcher priority-fee value paid in the first tenth of block gas falls from 0.98 to 0.28. This fee compression is the identified effect. The revert-rate response is not (causally) identified and is reported descriptively. At the level of a single opportunity, the winning fee splits into an approximately invariant floor and a competitive premium. The premium scales about linearly with auction duration at high contention and less steeply at low contention. A first-price auction model with uncertain arrival and partial payments by losing searchers accounts for this pattern. We match attempts to the pool they contest. A higher-fee transaction reverts behind a lower-fee winner that landed earlier in 1.9 to 2.7% of contested opportunities by value, an upper bound. Latency therefore decides part of the ordering. A micro-auction model projects diminishing returns from shortening the window below 200 ms, as bids approach a nonzero floor. Rollups such as Arbitrum One now make auction cadence a governance tunable parameter, so these estimates inform how it is set.

We consider a new algorithmic stablecoin called Dexy consisting of three components: a central bank, a secondary market in the form of a customized CP-AMM liquidity pool, and a trusted oracle. The price of the stablecoin in the liquidity pool is stabilized, relative to the oracle price, via central bank interventions. Users mint Dexy stablecoins from the bank using basecoins, the base cryptocurrency asset.

Bayesian data assimilation combines model forecasts with noisy observations, but sampling high-dimensional, non-Gaussian posteriors remains challenging. We introduce an observation-interpolant framework that turns pretrained stochastic interpolant, flow matching, and diffusion models into posterior samplers without retraining. Conditioning the interpolant path on observations yields a shared likelihood-score correction to the drift or velocity, unifying stochastic and deterministic posterior sampling. The resulting SDEs and ODEs sample the exact posterior when the intermediate likelihood score is known. For practical computation, we approximate this score using a closed-form Gaussian surrogate with a bias-corrected mean and covariance inflated by the model's source covariance. Jacobian-free and ensemble-shared approximations make the method tractable in high dimensions. We evaluate the framework on linear-Gaussian dynamics, stochastic two-dimensional Navier-Stokes, and urban airflow with up to $O(10^4)$ degrees of freedom.

Yield point phenomena in metals, anticracks in soils and snows, or planewise collapses in lattice metamaterials, are different manifestations of plastic instabilities characterized by stress softening and strain localization. Several independent constitutive descriptions exist and suffer from similar challenges: experimental difficulties to link local events to global measurements, and computational lack of convergence, spurious localization and mesh sensitivity. This work proposes a minimal field-agnostic constitutive framework where plastic softening is represented by a damage-like internal variable which explicitly separates stable hardening behavior from unstable softening. The resulting formulation admits a variational structure and can leverage regularization tools originally developed by the ductile fracture community. The framework aims at emphasizing similarities within plastic instability phenomena and establishing a bridge with continuum damage mechanics, to open a path towards regularized variational formulations of localized plastic flows.

We present a space-time finite element formulation for the transient analysis of geometrically exact shear-deformable beams. The formulation treats space and time within a unified finite element framework and employs a mixed approach in which translational and angular velocities are introduced as independent fields. The rotation field is parametrized using nodal rotation (pseudo-)vectors and a suitable objective interpolation of the triad field is employed. The resulting formulation supports generally curved beam structures, including geometric kinks and rigid joints. Furthermore, time-dependent material domains can be represented directly through the geometry of the space-time surface, enabling the treatment of non-material boundaries without modifying the underlying beam formulation. Numerical examples demonstrate convergence to solutions obtained with classical time-stepping schemes, objectivity of the formulation, and the influence of the space-time stabilization. Finally, the sliding spaghetti problem illustrates the applicability of the proposed approach to axially moving continua.

AI weather forecasting models are commonly trained on the ERA5 reanalysis, which is unavailable in real time. Operational deployment therefore relies on initial conditions produced by numerical or AI analysis systems that differ from those encountered during training. This mismatch can degrade forecast skill, while retraining for every analysis system is costly. Here, we present Domain-Adaptive Data Assimilation (DADA), an observation-guided framework that adapts external analyses to pretrained AI weather models. Starting from a background state, DADA optimizes only an initial-state perturbation while keeping the forecast model frozen. The perturbed state is propagated through the model, and its short-range trajectory is constrained by real-world observations through a learned observation operator. The resulting initial condition is shaped jointly by observational constraints and the dynamics learned by the target model. We evaluate DADA across five global AI weather models using backgrounds from the Global Forecast System and the AI-based HealDA. Across deterministic and probabilistic forecasts, DADA substantially reduces short-range skill loss caused by changes in the initial-condition source. More broadly, DADA turns observations into a common interface between independently developed analysis and forecasting systems, enabling pretrained AI weather models to accommodate evolving operational initial conditions without reconstructing ERA5 or retraining the forecast model.

The mechanical properties needed for geotechnical design require laboratory tests and are thus available for far fewer field samples than routinely measured basic (index) properties which are available for nearly every sample. We term this difference as the characterization gap. Purely data-driven models do not explicitly enforce physical laws and may be unreliable beyond their training domain, while direct constitutive calibration preserves physical consistency but requires advanced laboratory data and expert judgment. We therefore propose BRIDGE (Bridging Routine Inputs and Digital modelling for Geotechnical Engineering) a modular framework that predicts mechanical properties from routinely available basic properties. BRIDGE screens the dataset for outliers and non-physical responses, bins the retained samples into Cells, and selects a small calibration dataset from each Cell, while the remaining samples are used for validation. A mechanical model is then calibrated for each calibration sample, and the converged calibrations collectively define the mechanical surrogate of the Cell together with its parameter ranges and the corresponding predictive envelope in the mechanical property space. A Cell is validated when most validation samples fall within this envelope, whereupon the surrogate can predict the mechanical property ranges of new samples whose basic properties lie within the Cell. In this work, we adopt a finite element implementation of the Extended Cam-Clay (ECC) constitutive model as the mechanical model, whose four parameters are calibrated in a multi-stage process. Applied to the Tokyo-CLAY/14/67760 database, BRIDGE predicts the mechanical properties of an entire Cell from calibrations of just 10 to 20% of its samples. Finally, since the mechanical model, the binning criteria, and the sampling method are components of BRIDGE, the framework is easily extensible.

Discovering broadly neutralizing antibodies (bnAbs) from human natural immune repertoires remains a fundamental challenge in immunology, hindered by: the extreme rarity of bnAb, incomplete understanding of their cellular origins across pathogens, and the inability of existing computational tools to generalize across emerging viral threats. Here we present ImmuneAgent, a closed-loop AI system that integrates multimodal reasoning with continual meta-learning and wet-lab feedback to overcome these barriers. Applied to screen the natural BCR repertoires from vaccinated or infected cohorts, the system achieves a ~55% neutralization antibody discovery rate (60 of 110 cloned candidates) and a ~11% bnAb yield (12 of 110), substantially outperforming a state-of-the-art sequence-based neutralization predictor or cofolding models evaluated at the same cloning budget. Five ImmuneAgent-discovered antibodies conferred 100% in vivo protection against lethal influenza challenge, comparable to the clinical-stage therapeutic MEDI8852. The system recovered the cellular and structural determinants of bnAb activity and identified FCRL5+CD27+ atypical memory B cells as a conserved bnAb reservoir and hydrophobic interface enrichment as a cross-viral structural signature, which generalized to unseen antigens, discovering human metapneumovirus (hMPV) cross-neutralizing and human papillomavirus (HPV)-neutralizing antibodies without antigen-specific sorting. These results validate that ImmuneAgent is a generalizable framework for rapid therapeutic antibody discovery against emerging viral threats.

Magneto-active elastomers, as a class of smart materials, exhibit strongly coupled magnetic and mechanical behavior at finite strains. Considering variations in microstructure, material properties, and geometry can lead to computationally expensive analyses. Building on the finite operator learning (FOL) framework, this study develops a data-free, physics-informed operator-learning framework for families of coupled finite-strain magneto-mechanical boundary-value problems. The governing magnetostatic and mechanical equations are enforced through finite-element weak-form residuals, allowing the neural operators to be trained without labeled finite-element solution data. The main contribution of this study is the development of a weak-form staggered neural operator (WSNO) framework for strongly coupled magneto-mechanical saddle-point problems. Separate magnetic and mechanical neural operators are trained alternately using a staggered optimization strategy, while their physical coupling is retained through the constitutive relations and residual evaluations. The resulting framework learns mappings from parameterized material and geometric descriptions to the corresponding coupled magnetic and mechanical solution fields. The proposed framework is investigated across several settings, including heterogeneous random-inclusion microstructures, varying magnetic phase contrast, area-fraction-dependent geometries, strongly out-of-distribution material morphologies, and three-dimensional geometry-parametric problems. In addition, the learned operator is combined with a neural-initialized Newton strategy, in which the nonlinear finite-element solver is initialized using the neural prediction. The results demonstrate that the proposed operator-learning framework can accurately capture coupled magneto-mechanical responses across a broad range of parametric problem settings.

Large language models are increasingly used as reasoning components in AI-driven materials Co-Scientists, yet the reliability of the resulting verification pipeline remains unclear. Metal-organic frameworks (MOFs) provide a particularly challenging setting because structures may appear under different identifiers, synthesis outcomes depend strongly on experimental conditions, evidence is distributed across heterogeneous sources, and some hypotheses require computation rather than literature alone. We introduce a diagnostic benchmark with four task families covering structural grounding, synthesis-condition verification, evidence-sufficiency verification, and MLIP-based computational verification. T-MOF-1-3 are evaluated under closed-book, retrieval-enabled, and oracle-evidence settings to localize failures in knowledge access, evidence acquisition, and reasoning, while T-MOF-4 separately evaluates computational verification. Guided by these diagnosed failure modes, we develop MOF-Verify, a failure-aware agentic harness that targets structural, literature, evidence-sufficiency, and computational bottlenecks before producing a final verdict. Across multiple backbone LLMs, MOF-Verify substantially improves hypothesis-verification performance over direct inference and retrieval-based baselines. Benchmark datasets are released at https://github.com/IMMS-Ewha/MOF-Verify-Benchmark.

Short-horizon price-trend prediction from limit order books in equity and intraday electricity markets requires models that combine predictive quality with low single-sample latency and a small serialized model size to keep pace with rapid and continuous market updates. We introduce MBOFormer, a 7,203-parameter causal transformer, and MBOFusion, a 14,371-parameter extension with a slow temporal-context branch. Both models process market-by-order (level-3) histories of individual order submissions, cancellations, and executions. We compare them with level-2-based baselines that process sampled order-book snapshots and simple statistics instead of their underlying messages. Across three markets and four prediction horizons, our models achieve the highest mean macro-F1 in eleven of the twelve settings in a comparison against other benchmark models of varying sizes. Both our models achieve sub-millisecond median inference on a single Apple M2 CPU thread and have serialized state dictionaries below 70 kB. MBOFormer is 5.1x-8.1x faster than the million-parameter baselines at comparable predictive quality. Our results show that fine-grained market event history can reduce the need for model size under tight deployment constraints for short-term equity and electricity price forecasting tasks.

Financial time-series pretraining typically learns from masked observations, contrastive relations, or future outcomes—yet existing objectives struggle to simultaneously avoid future-supervision uncertainty and maintain return-prediction alignment. We propose DIVINE (DIVerse INdicator rEconstruction), a simple cross-market pretraining framework that reconstructs technical indicators from raw OHLCV history. Computed from observed price-volume history, technical indicators provide consistently defined supervision across markets while summarizing diverse market dynamics with established relevance to return prediction. Pretrained jointly on six-equity market datasets, DIVINE reconstructs 77 targets derived from 16 standard indicators and transfers only the learned encoder to downstream stock ranking. Across all six markets, DIVINE achieves the strongest average portfolio performance with a lightweight 0.05M-parameter encoder, outperforming pretraining baselines and matching or exceeding substantially larger financial foundation models, while remaining robust and data-efficient. Systematic analyses show that indicator diversity and market diversity provide complementary gains in transfer. Together, these results suggest that supervision design and cross-market diversity—rather than model scale—are the key drivers of strong, transferable financial representations.

High-fidelity simulations are essential to scientific and engineering design, but can be expensive to run repeatedly. Learned surrogates offer a faster alternative, yet their higher errors may alter downstream decisions. This accuracy-speed tradeoff creates a need to determine whether a surrogate can be used or the full simulator remains necessary. We study decisions determined by whether a scalar quantity of interest lies above or below a fixed threshold. For each input, we use the surrogate when its conformal interval lies entirely on one side of the threshold and route the input to simulation when the interval intersects it. Standard conformal prediction constructs intervals without reference to the downstream decision threshold: even a narrow interval near the threshold can cross it and trigger simulation, whereas a wider interval farther away can remain entirely on one side and require no simulation. We introduce Threshold-Aware Conformal Routing (TACR), which learns an input-dependent scale using a threshold-aware objective that concentrates interval tightness near the decision boundary. Exact split-conformal calibration on held-out data preserves distribution-free marginal coverage, which also upper-bounds the probability of an incorrect threshold decision that is not routed. Across various scientific and engineering datasets, TACR reduces simulator deferrals by 14-75% relative to standard conformal prediction at the same coverage target. Against a variant without threshold-local weighting but with similar predictor accuracy, TACR further reduces deferrals by 10-24% on four datasets. These results show that optimizing interval allocation for routing can reduce simulator calls without weakening the standard conformal guarantee.

Protein mutation effect generation asks a model to describe the functional consequence of a point mutation in natural language. Existing protein-to-text systems typically encode mutation information into undifferentiated representations, overlooking the organization of mutation-induced evidence across structural and biochemical factors. We propose RipplePLM, a mutation-aware generation framework centered on Direct-Distal Cross-Attention (DDCA). By constructing a residue-level Mutation Perturbation Field from pre-trained protein language models, DDCA leverages predicted contact maps to organize mutation representations into two pathways: the mutation site's immediate contact neighborhood and its multi-hop distal context. To complement this structural decomposition, we further introduce the Property Latent Chain (PLChain), which injects expert-guided supervision of biochemical property changes (e.g., thermostability and optimal pH) into the LLM hidden-state pathway through latent property tokens. On MutaDescribe, RipplePLM improves over mutation-specific baselines on temporal and structural splits; under a matched-backbone comparison, average structural-split ROUGE-L increases from 22.23 to 35.65. Expert evaluation further shows a higher proportion of biologically accurate or relevant descriptions than the mutation-specific baseline. Additional ablations, representation diagnostics, and low-$N$ fitness regression experiments further support the effectiveness of the learned mutation-aware representations. Code: https://github.com/Lyu6PosHao/RipplePLM.

The central challenge in de novo protein design is generating plausible, mutually compatible structures and sequences, such that each designed sequence folds into its intended structure and the structure accommodates that sequence. Compared to typical two-stage design methods, which decouple the modeling of the interdependent modalities, co-design models improve the cross-modal consistency by jointly generating sequences and structures. However, naively generating sequences and structures simultaneously does not ensure their consistency. To address this challenge, we propose CODesign framework. We improve data consistency by generating approximately 105,000 consistency-distilled dimers. We further promote consistency through a multimodal joint flow model that captures the joint distribution of sequences, backbone structures, and local atomic configurations, together with a consistency-aware joint resampling strategy that iteratively refines sequences and side chains. Experiments show that CODesign achieves state-of-the-art performance with the highest in silico success rates on both protein- and ligand-target binder design. Ablation studies also demonstrate our distilled dataset increases performance by 70.9%, which can be further improved by our proposed resampling mechanism with negligible additional computational cost. Code, model weights and the new dataset will be completely open-source.

In this framing study, we propose a new lunar-habitat design based on topological interlocking of the building blocks. The design combines block geometries that permit interlocking without binders or connectors with a pyramidal overall structure. This approach is well suited for ISRU-enabled extraterrestrial construction. Finite element simulations employing the Drucker-Prager model confirm that habitats manufactured from lunar regolith using this concept are tolerant to local failures or missing blocks. We further suggest that this approach can be extended and improved by optimising the geometry of the interlockable building blocks.

Decentralized finance (DeFi) vaults are smart-contract-based asset management systems that pool deposits, execute programmable strategies, and mint tokenized shares representing claims on underlying assets and strategy performance. As vault designs have evolved from early yield aggregators to modular, actively managed systems, a new control layer, curation, has emerged to select strategies, configure risk parameters, and coordinate operational execution, introducing principal-agent dynamics and new failure modes. This paper systematizes DeFi vault architectures and curator-mediated control planes through (i) a unified system model and formal definitions for share accounting, roles, and operational dependencies, and (ii) three complementary taxonomies covering vault exposures and objectives, curator governance and accountability mechanisms, and strategy execution patterns together with their failure modes. We further map a representative set of production protocols to the proposed dimensions. The frameworks in this work aim to support rigorous analysis and safer design of blockchain-based financial applications.

We test the stability, reproducibility and investment outcomes of language-model stock rankings. Four models and five numerical comparators share a portfolio engine over 72 monthly holding periods in the Shanghai Stock Exchange (SSE) 50, China Securities Index (CSI) 300 and CSI 500. Rankings use nine characteristics, and five repeated SSE 50 runs measure variation under identical inputs. Linear rules fitted to development-period model preferences are frozen before unseen-month, larger-pool and controlled-intervention tests. Their mean Spearman agreement with model rankings is 0.923-0.984 in the SSE 50 and 0.795-0.985 after transfer. Aggregate rank-change error falls relative to a zero-change prediction in twelve archived feature-group comparisons and eight matched single-feature comparisons, with Holm adjustments applied in separate nine-plus-three and six-plus-two families. Prediction of individual entries and exits remains weak (event Jaccard 0.000-0.125). Historical mean model compound annual growth rates range from 6.26% to 11.17%. At 10 basis points per side and six-month blocks, the twelve-comparison model-minus-rule return family and factor-controlled associations yield no adjusted finding. Three higher-cost, twelve-month-block comparisons favor a Terra rule within their twelve-test slices, with no adjusted finding across the full 144-test sensitivity grid. Two input-intervention batches totaling 5,184 responses supply paired intervention-return tests. The three-model batch has no bootstrap-adjusted finding at the primary block length; a Luna row-order effect appears under heteroskedasticity- and autocorrelation-consistent (HAC) adjustment within its three-test family but not in a pooled 24-test adjustment. Compact rules approximate aggregate rankings; return conclusions depend on comparison families, uncertainty methods and tie priorities.

The reliability of computational results in scientific research and financial modeling increasingly depends on verifiable traceability, not merely on trust in a reported output. Existing provenance systems operate at the granularity of files, datasets, or pipeline stages, leaving the internal sequence of algebraic transformations connecting an algorithm's inputs to its outputs unrecorded; a rounding error, an undocumented substitution, or a missing intermediate value can propagate to a final result with no recoverable trace. This work presents CompProv, a Java-based, audit-oriented provenance framework that captures lineage at the atomic level of individual algebraic operations by encapsulating numerical values in high-precision wrapper objects, producing a serializable Calculation Provenance Graph (CPG) that persists as a self-contained artifact rather than a discarded byproduct. The framework is evaluated through three heterogeneous case studies: a decentralized-finance NAV calculation, a reconstruction of an interferometric gauge-block calibration in metrology under explicitly documented input assumptions, and a hydrological model performance evaluation. Deterministic replay reproduced each result exactly in a fresh environment, and CPG-based input substitution supported sensitivity analysis without exposing the underlying source code. These results indicate that, provided the CompProv runtime and wrapper classes are available in the replay environment, a CPG allows numerical integrity to be audited without disclosing proprietary business logic, and that its self-contained structure supports temporal auditability once an execution environment has become deprecated. This framework establishes an operation-level foundation for auditable-by-design computational systems, with scaling to high-throughput computing identified as a direction for future work.

Large language models can produce economic policy responses that sound reasonable, but this does not show that their actions are consistent with economic dynamics. We test this by placing an instruction-tuned language model inside six Snowdrop-backed dynamic stochastic general equilibrium (DSGE) simulators. At each turn, the model observes the economy and a change in economic discourse, selects a bounded policy action, and receives the next simulated state and an economic reward. We implement a common Python interface for repeated rollouts, persistent shocks, state cloning, and rolling-horizon simulation. This setting creates a long-horizon credit-assignment problem. Policy effects may appear several quarters after an action is taken. PPO has a learned value function that can propagate delayed reward to earlier tokens through generalized advantage estimation. GRPO has no learned value function and instead assigns a group-relative advantage from complete rollout returns. It therefore cannot distinguish which earlier turn caused the outcome; if every rollout receives the same return, the normalized advantage is zero. We use PPO as the primary method and GRPO as a matched critic-free baseline. The experiments also test directional semantic signals, reward horizon, trajectory warm starts, cross-simulator transfer, and historically anchored pandemic and monetary-policy shocks. The objective is to judge policy actions by their simulated economic consequences rather than by plausible language alone.

Asset names are associated with investor trading and asset prices, but where names and issuer quality are formed jointly, information, preference and attention-coordination explanations are difficult to distinguish. We study a token launchpad on which tokens issued under the default template use the same contract code, have a fixed supply and carry no cash flows, while names can be registered at almost no cost, cannot be verified and may be reused. Using all 458,174 default-template tokens launched from February to June 2026 and a sample split by creator entity fixed in advance, we find that the share of tokens attracting an outside buyer rises from 34.9% to 52.8% across name-appeal deciles, but within creator and creation minute the effect of appeal is small and does not replicate in the validation sample. Conditional on early capital inflow and creator fixed effects, the residual effects of names on migration, peak market capitalization and post-peak drawdown are statistically equivalent to zero, and buyers who follow appealing names earn no economically meaningful premium. The same name attracts less capital with each reuse, names whose first token draws more capital are copied sooner, and competition over names mainly transfers wealth among buyers.

Cooperative perception, in which connected vehicles and roadside infrastructure share sensor information, is a candidate enabler of automated mobility, and benchmark accuracy is the evidence cited when roadside deployment is considered. This paper audits that evidence base across one simulated and two real-world vehicle-to-everything (V2X) benchmarks. In simulation, two widely studied robustness axes leave almost no recoverable headroom: an infrastructure-anchored pose correction returns about one accuracy point at every error level, and corrupting a partner costs 0.7 points. On real data, measurement choices govern the conclusion. An apparent seventeen-fold advantage of infrastructure in partner-poor frames falls below four-fold once the split is broadened, and an ad-hoc class definition measures a far smaller benefit than the official protocol reports. Cooperation is worth 7 to 15 accuracy points, yet 27% of frames on one split offer no partner and almost none do on another, so every regime-conditioned claim must name its split.

It has recently been shown that nearest-neighbour retrieval provides a strong baseline for molecular fingerprint prediction from MS/MS spectra, with several variants matching or outperforming current deep learning models (Khoo and Barzilay, 2026; Liu et al., 2026; Gupta et al., 2026). Importantly, "nearest neighbour" encompasses a family of retrieval methods that differ in the information assumed to be available at inference. In this report, we systematically compare several nearest-neighbour variants and show how these differing assumptions affect performance. Our goal is to establish stricter baselines that enable more rigorous benchmarking and better measure progress in this area.

We evaluate hybrid quantum-classical machine learning for the reduced-order prediction of spatiotemporal brain deformation fields. To mitigate the computational intractability of high-dimensional displacement fields, we employ Proper Orthogonal Decomposition (POD) to project the data into a compact latent space. Within this framework, we formulate two distinct learning objectives: static temporal-to-latent regression and autoregressive latent state forecasting. We systematically benchmark compact classical baselines against both minimal and enhanced hybrid quantum architectures. Our results demonstrate that classical networks provide the strongest baselines in the present setting. For static regression, a classical POD-MLP outperforms all evaluated quantum variants, although an enhanced Variational Quantum Circuit (VQC) substantially improves upon a minimal VQC baseline. For temporal forecasting, a classical POD-LSTM delivers superior predictive accuracy and statistical robustness compared to an enhanced Quantum LSTM (QLSTM) across varying history windows and random initializations. Overall, this study establishes reduced-order physical field learning as a rigorous testbed for near-term QML, highlighting that while hybrid enhancements successfully recover expressivity in weak quantum circuits, classical architectures retain a definitive advantage in both fidelity and stability.

AI agents that control wallets read attacker-reachable content, so they can be steered into proposing harmful transactions. The usual last line of defense is a pre-signing check: a static allowlist, an LLM reviewer, or a transaction simulation. All three share a gap: the check describes the chain state at check time, but the transaction executes in a later state that an adversary can shape through front-running, contract upgrades or token-parameter changes. We call this state drift. We present Proof-Gated Signing (PGS), which simulates a proposed transaction, extracts its effects, and uses an SMT solver to check a declarative value-and-permission policy for every price in an oracle-uncertainty band. It then compiles on-chain post-conditions (wallet balance bounds, payee receipts, allowance caps and ownership) and proves that every execution satisfying them also satisfies the policy. The agent's smart-contract wallet enforces them atomically, so the guarantee applies to the executed transaction under arbitrary drift. On an open testbed of 260 scenarios (14 attack families including five drift and two adaptive families, and 12 benign families), with harm measured from attacker balances rather than from any policy, PGS prevented 93.6% of the 140 harmful scenarios and passed 97.5% of the benign ones. Simulation-only checking prevented 57.9% and a static allowlist 71.4%. None of the 50 drift scenarios produced attacker gain under PGS. The only unprevented family, an in-policy drain, was bounded by the per-session budget. We also find that giving an LLM reviewer a clean pre-drift simulation made it more likely to approve a drift attack. Overhead is about 41k gas and 0.1-0.2 s per check.

The Wind Farm Layout Optimization problem consists of placing a given number of turbines within a given area so as to maximize energy production. One of its main challenges is the wake effect between turbines, which can strongly affect production and is a cumbersome function to evaluate and to embed in an optimization framework. In this paper we introduce a new endogenous wake model (EndoWake), based on the idea of treating the wind speed at every grid point as a decision variable, linked to its upwind neighbors through linear propagation constraints. This makes it possible to incorporate the wake equations directly into a Mixed-Integer Linear Programming (MILP) model. We then develop such a MILP model and, in particular, introduce a new class of valid "band" inequalities, showing that they substantially strengthen the root bound. Building on this, we design a branch-and-check scheme: the master problem retains only the site variables together with one hypograph variable per cell and scenario, integer solutions are evaluated by an exact linear-time oracle, and the optimality cuts are problem-specific "upwind cuts". Computational results are reported on a ladder of square grids under a four-sector axial wind rose, demonstrating the effectiveness of the proposed improvements.

Diffusion-weighted MRI can probe tissue microstructure non-invasively, however interpreting microstructural parameter estimates remains challenging due to the intrinsic ambiguity of the inverse problem. While simulation-based approaches can incorporate increasingly realistic tissue models, they still lack voxel-wise characterisation of the reliability and degeneracy of the inferred parameters. Here, we introduce a reliability framework for simulation-based microstructure estimation based on three complementary scores that identify distinct sources of unreliability in the estimation process: out-of-distribution signals, local signal mismatch, and parameter degeneracy. The framework was implemented using a Monte Carlo dictionary of 1,050 synthetic voxels generated from geometrically realistic substrates, with parameter ranges grounded in electron microscopy measurements of rat corpus callosum. The dictionary spans biologically plausible axon radii (0.25-0.85 $\mu$m), microscopic angular spread (0-10$^\circ$), packing densities (60-92%), and intrinsic diffusivities (1.75-3.0 $\mu$m$^2$/ms). On synthetic data, the resulting Reliability Index correlated with actual estimation error (Spearman $\rho = -0.742$) and distinguished between extrapolation, poor local interpolation, and parameter degeneracy. Applied to in vivo corpus callosum DW-MRI in rat (256 voxels, four animals) and human (MGH-USC HCP, 18,765 voxels, nine subjects), 91% and 73% of voxels respectively exceeded $R > 0.5$. These results demonstrate how reliability-aware analysis can support the interpretation and future development of simulation-based diffusion MRI microstructure models.

In finance, interpreting machine learning predictions is essential, yet the numerical outputs of explainable AI can be difficult for non-experts to understand. While large language models (LLMs) can translate these outputs into natural language, they may produce errors when inferring numerical changes and feature relations. We propose an LLM narrative framework for cross-sectional stock return prediction that combines temporal Shapley additive explanations (SHAP) evidence with historical regime analogs. Temporal evidence tracks changes in the normalized global SHAP importance of an XGBoost model over six months. Historical analogs are past periods with similar changes in SHAP importance, their model performance and subsequent market returns are provided as comparative context. Using this framework, we conduct a controlled study of progressive reasoning externalization, sequentially providing raw SHAP sequences, deterministic temporal descriptors, and feature relations. Each generated claim is verified against provenance-linked evidence. Across Qwen3, externalizing numerical and relational reasoning improved evidence faithfulness as well as temporal and relational accuracy. Evidence faithfulness increased from 0.696 to 0.996 for Qwen3-32B-Instruct. While historical analogs did not improve structured automatic faithfulness, they received higher human-rated usefulness scores. These results suggest that externalizing verifiable reasoning enhances narrative faithfulness and that historical context adds interpretive value.