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01.
arXiv (CS.CL) 2026-06-18

ToolGrad: Efficient Tool-use Dataset Generation with Textual "Gradients"

Prior work synthesizes tool-use LLM datasets by first generating a user query, followed by complex tool-use annotations like depth-first search (DFS). This leads to inevitable annotation failures and low efficiency in data generation. We introduce ToolGrad, an agentic framework that inverts this paradigm. ToolGrad first constructs valid tool-use chains through an iterative process guided by textual "gradients", and then synthesizes corresponding user queries. This "answer-first" approach led to ToolGrad-500, a dataset generated with more complex tool use, lower cost, and almost 100% pass rate. Experiments show that ToolGrad models outperform those trained on expensive baseline datasets and proprietary LLMs. The ToolGrad source code, dataset, and models are available at https://github.com/zhongyi-zhou/toolgrad.

02.
arXiv (math.PR) 2026-06-11

Patterned matrices with random walk entries

arXiv:2512.04612v3 Announce Type: replace Abstract: It is well known that the weak limit of a suitably scaled continuous-time random walk (CTRW) is the Brownian motion. We investigate the convergence of certain patterned random matrices whose entries are independent CTRWs and their time-changed versions, in a non-commutative probability framework. For the Wigner link function, the limits are free Brownian motion and its time-changed version driven by an inverse stable subordinator. For the symmetric circulant and the circulant with CTRW entries, we use their explicit eigenvalue expressions to define some empirical processes that converge weakly to a Brownian motion and a complex Brownian motion, respectively. For matrices with iid entries, and for elliptic matrices, the algebraic limits are equal in $*$-distribution to processes whose marginals are circular and elliptic variables, respectively. A random time-changed variant of these results is also established.

03.
arXiv (CS.CV) 2026-06-18

Technical Report for ICRA 2026 GOOSE 2D Fine-Grained Semantic Segmentation Challenge: Leveraging DINOv3 for Robust Outdoor Scene Understanding in Field Robotics

The GOOSE 2D Fine-Grained Semantic Segmentation Challenge at the ICRA 2026 Workshop on Field Robotics evaluates dense semantic segmentation of off-road imagery over a fine-grained taxonomy of 64 classes and 11 evaluated non-void coarse categories. We present the first-place solution to this challenge. Our solution comprises two complementary improvements: (a) a network-level design that combines a self-supervised DINOv3 ViT-L/16 backbone, a ViT-Adapter, and a Mask2Former mask-classification decoder, together with a coarse-category auxiliary loss on the global [CLS] token; and (b) an inference-time aggregation strategy based on multi-scale and horizontal-flip test-time augmentation and an ensemble of the top three checkpoints selected using Codabench scores. Our method achieves an official composite score of 76.57%, consisting of 69.32% fine-class mIoU and 83.81% category-level mIoU, and ranks first on the final phase leaderboard: www.codabench.org/competitions/14257/#/results-tab.

04.
arXiv (CS.LG) 2026-06-11

Momentum LMS Theory beyond Stationarity: Stability, Tracking, and Regret

arXiv:2602.11995v2 Announce Type: replace Abstract: In large-scale data processing scenarios, data often arrive in sequential streams generated by complex systems that exhibit drifting distributions and time-varying system parameters. This nonstationarity challenges theoretical analysis, as it violates classical assumptions of i.i.d. (independent and identically distributed) samples, necessitating algorithms capable of real-time updates without expensive retraining. An effective approach should process each sample in a single pass, while maintaining computational and memory complexities independent of the data stream length. Motivated by these challenges, this paper investigates the Momentum Least Mean Squares (MLMS) algorithm as an adaptive identification tool, leveraging its computational simplicity and online processing capabilities. Theoretically, we derive tracking performance and regret bounds for the MLMS in time-varying stochastic linear systems under various practical conditions. Unlike classical LMS, whose stability can be characterized by first-order random vector difference equations, MLMS introduces an additional dynamical state due to momentum, leading to second-order time-varying random vector difference equations whose stability analysis hinges on more complicated products of random matrices, which poses a substantially challenging problem to resolve. Experiments on synthetic and real-world data streams demonstrate that MLMS achieves rapid adaptation and robust tracking, in agreement with our theoretical results especially in nonstationary settings, highlighting its promise for modern streaming and online learning applications.

05.
arXiv (quant-ph) 2026-06-15

Sensitivity of polaron-molecule observables to MDR/GUP-like ultraviolet deformations at low energies via quantum computing

arXiv:2606.14479v1 Announce Type: new Abstract: We show that impurity many-body observables can display enhanced sensitivity to ultraviolet deformations of generalized-uncertainty-principle and modified-dispersion-relation type at accessible energy scales. Using a deformed polaron-molecule Hamiltonian constructed to preserve the infrared sector, we quantify the impact of such deformations on spectral and Ramsey observables and implement the corresponding dynamics in a controlled quantum computing setting. We identify regimes near the polaron-molecule crossover where small ultraviolet deformations are strongly amplified, leading to experimentally resolvable changes in quasiparticle properties and spectral response. Our results establish a concrete sensitivity-based route to low-energy quantum-gravity phenomenology in a well-defined many-body platform and delimit the validity of the effective description. Furthermore, we report experimental validation on the QRed superconducting quantum processor (BSC-CNS).

06.
arXiv (CS.AI) 2026-06-17

Learning-Infused Formal Reasoning: From Contract Synthesis to Artifact Reuse and Formal Semantics

arXiv:2602.02881v2 Announce Type: replace-cross Abstract: This paper articulates a long-term research vision for formal methods at the intersection with artificial intelligence, outlining multiple conceptual and technical dimensions and reporting on our ongoing work toward realising this vision. It advances a forward-looking perspective on the next generation of formal methods based on the integration of automated contract synthesis, semantic artifact reuse, and refinement-based theory. We argue that future verification systems must builds towards individual correctness proofs toward a cumulative, knowledge-driven paradigm in which specifications, contracts, and proofs are continuously synthesised and transferred across systems. To support this shift, we outline a hybrid framework combining large language models with graph-based representations to enable scalable semantic matching and principled reuse of verification artifacts. Learning-based components provide semantic guidance across heterogeneous notations and abstraction levels, while symbolic matching ensures formal soundness. Grounded in compositional reasoning, this vision points toward verification ecosystems that evolve systematically, leveraging past verification efforts to accelerate future assurance.

07.
arXiv (CS.LG) 2026-06-18

Learning Augmented Exact Exponential Algorithms

arXiv:2606.18807v1 Announce Type: cross Abstract: The field of learning-augmented algorithms has demonstrated that machine-learned predictions can bypass worst-case lower bounds across a wide range of problems. So far, however, the focus has been almost exclusively on polynomial-time algorithms, where predictions improve competitive ratios, approximation guarantees, or running times. In this paper, we raise the question of whether predictions can push the frontier of exact exponential-time algorithms for NP-hard problems. We answer this question affirmatively by proposing a general approach that augments an entire family of state-of-the-art exact algorithms for a variety of subset selection problems. We show that a noisy predictor that is only marginally better than random guessing suffices to provably reduce the search space, and that the resulting runtime speedup scales smoothly with the prediction quality. Importantly, our algorithms require only pairwise independence of predictions or, alternatively, do not require the knowledge of the predictor's accuracy - both strictly weaker and more realistic settings than typically assumed.

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

Generative Modeling on Metric Graphs via Neural Optimal Transport

arXiv:2606.16273v1 Announce Type: cross Abstract: We introduce, to our knowledge, the first deep generative modeling framework for probability distributions continuously supported on compact metric graphs. Given source and target measures on a metric graph, our method embeds the graph into a smooth ambient space, solves an entropic Kantorovich problem via a neural semidual parameterization, and projects generated samples back onto the original graph. We study two embedded geometries: an extrinsic Euclidean realization and the intrinsic tropical Abel–Jacobi embedding into the Jacobian torus. In both cases, the resulting generator is graph-supported by construction. We prove that, in the joint limit of increasing neural expressivity, the learned generator converges weakly to a valid transport coupling between the original graph measures. Empirically, across a range of geometrically distinct graphs, our method matches or improves upon heuristic transport baselines based on discrete graph OT, while scaling more favorably. Finally, we demonstrate scalability on real-world urban mobility data by training our model on one million Uber pickup locations in Manhattan, New York City.

09.
medRxiv (Medicine) 2026-06-16

Development and reliability and validity test of the Questionnaire on Knowledge, Attitude and Practice of ICU Nurses on Blood Oxygen Saturation Management in Mechanically Ventilated Patients

Objective: A questionnaire on the knowledge, attitude and practice of ICU nurses regarding the management of blood oxygen saturation in patients with mechanical ventilation was compiled, and its reliability and validity were tested. Method: Drawing upon the knowledge-attitude-practice theory, the initial questionnaire draft was developed through literature review and consultation with Delphi experts. Employing convenience sampling, 32 nurses from the General ICU of Wuxi Second People's Hospital were surveyed between 1 August 2025 and 27 September 2025, enabling item screening and assessment of reliability and validity.The full version of the developed questionnaire is provided as Supporting Information (S1 File). All items are published under a CC BY 4.0 license, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Result: A questionnaire on the knowledge, attitude and practice of ICU nurses regarding the management of blood oxygen saturation in mechanically ventilated patients was finalised, comprising 26 items: 11 in the knowledge dimension, 6 in the attitude dimension and 9 in the behaviour dimension. The overall Cronbach's coefficient for the questionnaire was 0.88, with dimension-specific coefficients of 0.787, 0.722, and 0.781 respectively. The Spearman-Brown coefficient for the entire questionnaire was 0.967, while dimension-specific coefficients were 0.796, 0.666, and 0.728 respectively. The content validity index at the questionnaire level (S-CVI) was 0.886, and the item-level content validity index (I-CVI) ranged from 0.913 to 0.967. 0.728. The questionnaire's level content validity index (S-CVI) was 0.886, and the item level content validity index (I-CVI) ranged from 0.913 to 1.00. Conclusion: The questionnaire on knowledge, attitude and practice of blood oxygen saturation management in mechanically ventilated patients demonstrates good reliability and validity. It may serve as an assessment tool for intensive care unit nurses regarding their knowledge, attitude, and practices concerning blood oxygen saturation management in mechanically ventilated patients, thereby establishing a foundation for developing targeted intervention strategies in future practice.

10.
arXiv (CS.AI) 2026-06-17

A Neuromorphic Trigger for Efficient Audio Event Detection

arXiv:2606.17775v1 Announce Type: cross Abstract: Efficient processing of continuous audio streams remains a key challenge for real-time and resource-constrained systems. This paper introduces a neuromorphic trigger for audio event detection, based on a spiking neural network (SNN) that selectively gates input to downstream models. The proposed trigger acts as a low-cost front-end, identifying salient audio segments and forwarding only these to a more computationally intensive model for tasks such as classification. The trigger is implemented as a lightweight fully connected SNN and evaluated on two representative tasks: Anomalous Sound Detection (ASD) and Sound Event Detection (SED). For ASD, the trigger achieves a one-second segment-based F1 score of 0.97 on a class-agnostic form of the URBAN-SED dataset, demonstrating high reliability in identifying relevant audio regions. For SED, the trigger is combined with the Dang classifier on the DCASE 2017 Challenge Task 2 dataset, showing a potential $42.6\times$ reduction in FLOPs while reducing the lower bound of the event-based error rate from 0.41 to 0.25. These results highlight the potential of neuromorphic triggers as real-time, energy-efficient front-end filters, enabling substantial reductions in computational cost.

11.
arXiv (CS.LG) 2026-06-12

Adaptive Model-Predictive Control of a Soft Continuum Robot Using a Physics-Informed Neural Network Based on Cosserat Rod Theory

arXiv:2508.12681v3 Announce Type: replace-cross Abstract: Dynamic control of soft continuum robots (SCRs) holds great potential for expanding their applications, but remains a challenging problem due to the high computational demands of accurate dynamic models. While data-driven approaches like Koopman-operator-based methods have been proposed, they typically lack adaptability and cannot reconstruct the full robot shape, limiting their applicability. This work introduces a real-time-capable nonlinear model-predictive control (MPC) framework for SCRs based on a domain-decoupled physics-informed neural network (DD-PINN) with adaptable bending stiffness. The DD-PINN serves as a surrogate for the dynamic Cosserat rod model with a speed-up factor of up to 44,000. It is also used within an unscented Kalman filter for estimating the model states and bending compliance from end-effector position measurements. We implement a nonlinear evolutionary MPC running at 70 Hz on the GPU. In simulation, it demonstrates accurate tracking of dynamic trajectories and setpoint control with end-effector position errors below 3 mm (2.3\% of the actuator's length). In real-world experiments, the controller achieves similar accuracy and accelerations up to 3.55 m/s2.

12.
arXiv (CS.CL) 2026-06-19

The ACUTE Protocol: Operationalizing Language Model Activations for Better Calibration, Utility, and Trust

As language models improve and become increasingly deployed to solve a variety of tasks, trustworthiness becomes essential. Calibration is a good proxy for trust: well-calibrated confidence estimates help inform the risk versus reward tradeoff when trusting a specific model output. Unfortunately, even as models improve, they remain poorly calibrated, often biasing towards overconfidence. Additionally, calibration can be gamed: a policy that always predicts the base rate is perfectly calibrated, but completely uninformative. To resolve this, we develop a new metric, expected utility renormalized by the oracle (EURO), that balances calibration and informativeness. We also propose a general-purpose activation-based confidence, utility, and trust estimation protocol (ACUTE) to appropriately adjudicate uncertainty. The ACUTE protocol provides flexible, sample-efficient, and compute-efficient confidence estimators for 3 tasks including multiple choice question answering, tool-calling, and scientific document summarization across 6 models from 4 model families. ACUTE outperforms strong baselines on EURO, while maintaining low calibration error. Taken together, our work shows that equipping LLMs with the ACUTE protocol can improve calibration, utility, and trustworthiness in numerous settings.

13.
arXiv (quant-ph) 2026-06-12

Understanding quantum behaviors of an electron in a uniform magnetic field alternatively

arXiv:2606.13290v1 Announce Type: cross Abstract: Quantum mechanically, an electron moving in a uniform magnetic field forms Landau levels. A curious feature is that for states with a negative angular quantum number, the total probability current vanishes, which appears to contradict the classical picture of cyclotron motion. While a geometric interpretation based on classical orbits exists, alternative interpretations remain of interest. In this paper, we examine the probability current density and identify a critical radius that naturally partitions the plane into an inner clockwise-flow region and an outer counterclockwise-flow region. We show that the vanishing total current results from an exact cancellation between these two regions. Furthermore, by defining a partitioned kinetic angular momentum with respect to the critical radius, we reveal an intrinsic competitive structure: the electron simultaneously carries two opposing rotational components. The negative quantum number manifests in the strength of the inner counter-rotation, while the net kinetic angular momentum remains positive. This bidirectional flow picture also provides a dynamical interpretation of the infinite degeneracy of Landau levels.

14.
arXiv (CS.AI) 2026-06-17

Model Validation of Agentic AI Systems: A POMDP-Based Framework for Belief-State, Forecast, and Policy Validation

arXiv:2606.17383v1 Announce Type: cross Abstract: Agentic artificial intelligence systems introduce a new class of model risk. Unlike traditional predictive models, autonomous agents continuously acquire information, form beliefs regarding latent states of the environment, generate forecasts, select actions, and adapt their behavior over time. Existing validation methodologies focus primarily on predictive accuracy and therefore provide limited insight into the quality of the underlying decision process. This paper proposes a model validation framework for agentic AI based on Partially Observable Markov Decision Processes (POMDPs). The framework decomposes autonomous decision making into information, beliefs, forecasts, actions, and utility, allowing each component to be validated independently. Large language models (LLMs) are formalized as approximate Bayesian filtering operators, and a model-risk taxonomy is developed encompassing state-space, filtering, forecast, policy, utility-specification, and parameter risks. The model risk validation methodology is demonstrated through a portfolio-management case study in which an agent infers latent market regimes from market and macroeconomic information, generates belief-conditioned forecasts, and constructs portfolios using a Black–Litterman framework. Empirical validation combines performance analysis, belief calibration diagnostics, coverage tests, ablation studies, and parameter-sensitivity analysis. The results indicate that latent-state inference contributes independently to decision quality and that the principal conclusions remain robust across a broad range of parameter values. The principal contribution of the paper is a practical framework for extending established model risk management concepts to autonomous AI systems and providing a rigorous foundation for their validation, governance, and monitoring.

15.
arXiv (CS.CL) 2026-06-18

MemRerank: Preference Memory for Personalized Product Reranking

LLM-based shopping agents increasingly rely on long purchase histories and multi-turn interactions for personalization, yet naively appending raw history to prompts is often ineffective due to noise, length, and relevance mismatch. We propose MemRerank, a preference memory framework that distills user purchase history into concise, query-independent signals for personalized product reranking. To study this problem, we build an end-to-end benchmark and evaluation framework centered on an LLM-based 1-in-5 selection task, which measures both memory quality and downstream reranking utility. We further train the memory extractor with reinforcement learning (RL), using downstream reranking performance as supervision. Experiments with two LLM-based rerankers show that MemRerank consistently outperforms no-memory, raw-history, and off-the-shelf memory baselines, yielding up to +10.61 absolute points in 1-in-5 accuracy. These results suggest that explicit preference memory is a practical and effective building block for personalization in agentic e-commerce systems.

16.
arXiv (CS.CV) 2026-06-11

Right Predictions, Misleading Explanations: On the Vulnerability of Vision-Language Model Explanations

Explanation mechanisms are increasingly used to support transparency and trust in vision-language models (VLMs), particularly in settings where model decisions require human oversight. However, the robustness of these explanations remains insufficiently understood. In this work, we investigate whether explanation heatmaps in VLMs, particularly CLIP-based models, faithfully reflect model reasoning under adversarial conditions. We show that explanation maps can be systematically manipulated while preserving the model's original prediction, revealing a disconnect between predictive behavior and explanation faithfulness. To study this vulnerability, we introduce X-Shift, a novel grey-box attack that perturbs patch-level visual representations to redirect explanation heatmaps toward semantically irrelevant regions without altering the predicted output. Unlike conventional adversarial attacks that aim to induce misclassification, X-Shift specifically targets the integrity of the explanation process itself. The attack operates without modifying model parameters and generalizes across multiple CLIP architectures and explanation methods. We evaluate the proposed approach on ImageNet-1k, MS-COCO, and Flickr30K, demonstrating consistent degradation in explanation alignment under imperceptible perturbations while maintaining prediction stability. Furthermore, standard prediction-oriented adversarial attacks fail to reproduce the same explanation-shifting behavior even under substantially larger perturbation budgets. Our findings highlight a fundamental limitation of current explanation mechanisms in VLMs and raise concerns about their use as reliable indicators of model trustworthiness in high-impact applications.

17.
arXiv (CS.LG) 2026-06-17

A Bayesian Boolean Matrix Factorization with Application to Copy Number Analysis in Cancer

arXiv:2606.17491v1 Announce Type: cross Abstract: Binary data factorization is common, but real-valued methods ignore discreteness and yield hard-to-interpret factors. Boolean Matrix Factorization (BooMF) instead decomposes a binary matrix into two lower-rank binary matrices via logical AND and OR, expressing the data as a Boolean disjunction of interpretable patterns. In cancer genomics, BooMF can reveal coordinated feature changes that may drive tumor evolution, unlike rotational or additive decompositions. Most existing BooMF methods are heuristic, greedy, sensitive to initialization, prone to local optima, and do not support principled model selection or uncertainty quantification. We introduce Bayesian Boolean Matrix Factorization (BBMF), a fully conjugate generative model with sparsity-inducing priors. It enforces Boolean constraints, yields interpretable latent factors with coherent uncertainty quantification, and admits Gibbs sampling with closed-form full conditionals. Because cancer evolution often involves widespread, near-simultaneous chromosome-number changes (e.g., whole-genome duplication followed by instability and selection), Boolean factorizations capture these patterns more naturally than additive models. Applied to arm-level copy-number alteration data in multiple myeloma, where entries indicate presence/absence of chromosomal-arm amplifications, BBMF finds a small set of interpretable bicliques linking patient subsets to recurrently co-altered chromosomal arms, providing a compact, biologically meaningful summary of tumor heterogeneity and demonstrating BBMF's utility for uncovering discrete latent structure in complex binary data.

18.
arXiv (CS.AI) 2026-06-24

Solving Inverse Problems of Chaotic Systems with Bidirectional Conditional Flow Matching

arXiv:2606.24824v1 Announce Type: new Abstract: Modeling chaotic systems is crucial yet challenging. Inverse problems in chaotic dynamics, namely inferring initial conditions from final states, remain largely unsolved because of ill-posedness, non-uniqueness, instability, and potentially chaotic time-reverse dynamics. We address this open problem with Bidirectional Conditional Flow Matching (Bi-CFM), which learns bidirectional mappings between distributions of initial and final states to capture the stochasticity of chaotic evolution and mitigate exponential error accumulation over time. Furthermore, for systems with conservation laws, we extend it to Conservation-constrained Bi-CFM (CBi-CFM). Across the classic Lorenz, Circuit, and high-dimensional Lorenz 96 systems, Bi-CFM improves five distribution-level metrics over baselines while achieving a speedup of more than two orders of magnitude. In the three-body planet-planet scattering problem in planetary dynamics, CBi-CFM better respects conservation laws, with conservation errors comparable to those of the ground truth. Finally, on real observations of globular clusters, collisional million-body systems shaped by $\sim 10^{10}$ years (10 Gyr) of evolution, our method represents an advance in accuracy, establishing a scalable route to solving inverse problems of long-timescale real-world chaotic dynamics.

19.
arXiv (math.PR) 2026-06-17

Limit theorems for random Dirichlet series with summation over primes, with an application to Rademacher random multiplicative functions

arXiv:2508.15032v2 Announce Type: replace Abstract: It is shown that two conjectures put forward in the recent article Iksanov and Kostohryz (2025) are true. Namely, we prove a functional central limit theorem (FCLT) and a law of the iterated logarithm (LIL) for a random Dirichlet series $\sum_p \frac{\eta_p}{p^{1/2+s}}$ as $s\to 0+$, where $\eta_1$, $\eta_2,\ldots$ are independent identically distributed random variables with zero mean and finite variance, and $\sum_p$ denotes the summation over the prime numbers. As a consequence, an FCLT and an LIL are obtained for $\log \sum_{n\geq 1} \frac{f(n)}{n^{1/2+s}}$ as $s\to 0+$, where $f$ is a Rademacher random multiplicative function.

20.
arXiv (math.PR) 2026-06-16

Flowing to Normality and the Fate of the Single Ring Theorem

arXiv:2606.15791v1 Announce Type: cross Abstract: Random non-hermitian matrix ensembles with double-sided rotation invariance obey, in the limit of large matrix size, the Single Ring Theorem, which states that the support of the mean eigenvalue distribution in the complex plane is either a disk or an annulus. In contrast, rotational-invariant random normal matrix ensembles can have mean eigenvalue densities supported over any number of concentric annuli in the complex plane. In this paper we introduce and investigate, both analytically and numerically, a non-hermitian matrix model which flows from a generic matrix distribution obeying the Single Ring Theorem to a distribution of normal matrices by tuning a parameter which penalizes non-normality. We observe numerically breakdown of the Single Ring Theorem as the model flows towards normality, and determine the critical value of the parameter at which the transition occurs. We also study in detail the behavior of the singular values of these matrices under the flow. These singular values form a Fermi gas confined to the positive half-line. In particular, we find that at small values of the flow parameter, the interparticle spacings in the gas exhibit Wigner-Dyson repulsion, whereas for asymptotically large values of the flow parameter, at the normal matrix endpoint of the flow, the spacing statistics is Poissonian. The flow interpolates continuously between these two types of statistics. However, this change in statistics is not related directly to breaking of the Single Ring Theorem, which occurs very early-on along the flow, in the regime of Wigner-Dyson statistics. Finally, we introduce a certain ensemble of random permutations associated with the gas, and make a conjecture on how to use it in order to reconstruct approximately the average density of complex eigenvalues from that of the singular values in the large-$N$ limit.

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

Revisiting Chebyshev Polynomial and Anisotropic RBF Models for Tabular Regression

arXiv:2602.22422v2 Announce Type: replace-cross Abstract: Smooth-basis models such as Chebyshev polynomial regressors and radial basis function (RBF) networks are well established in numerical analysis. Their continuously differentiable prediction surfaces suit surrogate optimisation, sensitivity analysis, and other settings where the response varies gradually with inputs. Despite these properties, smooth models seldom appear in tabular regression, where tree ensembles dominate. We ask whether they can compete, benchmarking models across 55 regression datasets organised by application domain. We develop an anisotropic RBF network with data-driven centre placement and gradient-based width optimisation, a ridge-regularised Chebyshev polynomial regressor, and a smooth-tree hybrid (Chebyshev model tree); all three are released as scikit-learn-compatible packages. We benchmark these against tree ensembles, a pre-trained transformer, and standard baselines, evaluating accuracy alongside generalisation behaviour. The transformer ranks first on accuracy across a majority of datasets, but its GPU dependence, inference latency, and dataset-size limits constrain deployment in the CPU-based settings common across applied science and industry. Among CPU-viable models, smooth models and tree ensembles are statistically tied on accuracy, but the former tend to exhibit tighter generalisation gaps. We recommend routinely including smooth-basis models in the candidate pool, particularly when downstream use benefits from tighter generalisation and gradually varying predictions.

22.
arXiv (CS.LG) 2026-06-15

High-Frequency Pricing at Scale for E-Commerce

arXiv:2606.13741v1 Announce Type: new Abstract: This paper presents the design, development, and implementation of a specialized forecast-then-optimize algorithmic pricing tool for sales campaigns in fashion e-commerce. Sales events present unique challenges for pricing including volatile demand patterns, rapid pricing decisions, and the need to balance short-term revenue with long-term profitability. We describe our approach combining daily-resolution demand forecasting using gradient-boosted trees with a multi-objective optimization framework that maximizes both long-term profit and net merchandise value for more than 5 million articles. Our solution addresses key limitations of existing weekly-granularity systems by implementing a forecast-then-optimize architecture that reduces pricing decision time from hours to minutes. We validate our approach through 23 A/B tests across 12 markets during 2023-2024 sales campaigns at Zalando, one of Europe's leading online fashion retailers. Experimental results demonstrate that the new pricing system achieves approximately 6% higher profit while maintaining equivalent performance on sales and revenue compared to the previous manual-algorithmic hybrid approach. Based on these results, the algorithm was successfully deployed to production and now handles the majority of algorithmic pricing decisions for sales campaigns at the company.

23.
arXiv (CS.AI) 2026-06-17

Skill-Constrained Model Predictive Control for Resilient Manufacturing Supply Chains

arXiv:2606.17269v1 Announce Type: new Abstract: In skill-constrained production-inventory systems, the qualified human capacity available tomorrow depends on training decisions made today: production requires certified workers, certifications decay unless maintained, and training consumes the same scarce worker hours that production needs now. We study a closed-loop skill-constrained model predictive controller that, at every shift, solves a finite-horizon mixed-integer program over production, inventory, backlog, and training, with binary predicted certification, hard production eligibility, and an interpretable terminal value that prices certified-capacity gaps at the horizon boundary; only the first-period action is applied before replanning. On synthetic, seed-controlled SkillChain-Gym scenarios - announced and surprise new-skill shocks, demand shocks, absenteeism, forecast- and availability-quality modes, capacity-boundary and training-rate sweeps, and negative controls - we evaluate the controller against production-only and maintenance-only ablations, static cross-training insurance plans, and a strong reactive heuristic, under an ex-ante locked configuration and paired statistics. The result is regime dependence, not superiority: no policy class dominates. Predictive control helps when skill or labor bottlenecks are forecastable early enough for training to complete; lean static insurance remains hard to beat under surprise shocks, near the demand-capacity boundary, and wherever pre-shock slack makes insurance cheap. Attribution ablations separate certification maintenance, re-acquisition of lapsed certifications, and greenfield skill acquisition. Forecastability, not adaptivity per se, decides when predictive control pays.

24.
bioRxiv (Bioinfo) 2026-06-22

HTS-Oracle X: AI-Guided Prospective Discovery of Small Molecule Immune Checkpoint Binders

Targeting immune checkpoint protein-protein interactions (PPIs) using small molecules remains limited by the shallow, featureless binding surfaces of co-stimulatory and co-inhibitory receptors and the characteristically low hit rates of conventional high-throughput screening against these interfaces. Here we report HTS-Oracle X, a multimodal deep learning platform that integrates bidirectional cross-attention fusion of ChemBERTa SMILES embeddings with extended RDKit descriptors, trains on continuous biophysical binding signals rather than binary labels, and employs Monte Carlo Dropout uncertainty quantification for uncertainty-adjusted compound selection. Trained on 45,760 Dianthus TRIC-screened compounds per target under scaffold-aware cross-validation, HTS-Oracle X was applied prospectively to a 100,160-compound Enamine library against CD28, TIM-3, and VISTA. From 150 model-selected compounds, 45 dose-response confirmed binders were identified (30.0% overall hit rate), yielding enrichment factors of 234-408x over experimentally established random prospective baselines and 16 sub-micromolar hits. The top hits, HX-CD28-1 (KD = 233 nM), HX-TIM3-1 (KD = 249 nM), and HX-VISTA-1 (KD = 345 nM), demonstrated on-target functional activity in immune cell and tumor co-culture assays. HTS-Oracle X represents a scalable AI-guided framework for small molecule discovery against non-enzymatic immune checkpoint targets.

25.
arXiv (CS.LG) 2026-06-24

A Comparative Study of Bayesian Contextual Bandits for Real-Time Warehouse Sorter Optimization

arXiv:2606.23977v1 Announce Type: new Abstract: Efficient sorter diversion control of automated material handling systems (MHS) is critical for optimizing operational efficiency in large-scale warehouse environments. In this study, we use an inbound receiving sorter at a high-volume e-commerce warehouse as our primary use case, where the sorter diversion system relies on cost functions with static weight configurations that fail to adapt to highly dynamic system contexts, such as volume mode, congestion level, equipment physical status, and upstream/downstream dependencies. To address this real-time sorter diversion optimization challenge, we conducted a comparative study of three candidate hybrid machine learning frameworks: Linear Regression with Gradient Descent Optimization (LR+GDO), XGBoost with Bayesian Optimization (XGB+BO), and Bayesian Contextual Bandits (BCB). Model training and evaluation were enabled by leveraging a high-fidelity physics-aware emulator to overcome the cold-start problem and allow a safe transition from offline to online learning. We performed comprehensive evaluations including reward model predictive accuracy, contextual sensitivity, action distribution, and projected reward uplift. Our results demonstrate that while tree-based reward models offer slightly better predictive power, the BCB framework achieved overall higher performance with 2.03% reward uplift over the heuristic baseline. Furthermore, BCB exhibits several superior characteristics, such as its decisive time-optimal policy backed by Bang-Bang control theory, continuous online learning capability, strategic balance between exploration and exploitation, and significantly shorter inference latency. These results demonstrate the potential of the BCB framework for real-time control optimization in large-scale warehouse environments, motivating further investigation toward operational deployment.