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01.
arXiv (CS.LG) 2026-06-19

Entropy Estimation in Multi-Qutrit Systems via Variational and Classical Neural Networks

arXiv:2606.20504v1 Announce Type: cross Abstract: We present a systematic study of von Neumann entropy estimation in multi-qutrit quantum systems using two complementary approaches: variational quantum algorithms (VQAs) and classical convolutional neural networks (CNNs), evaluated using an ideal (noise-free) quantum simulator. For systems up to three qutrits, we construct and evaluate 11 hardware-efficient SU(3)-inspired ansatzes. A parameter sweep shows that estimation accuracy is primarily determined by the number of trainable parameters, provided sufficient entanglement is present. Based on this study, we fix the parameter count to approximately 120 for subsequent experiments, observing that increasing entangling-gate counts beyond a threshold yields only marginal improvements. For larger systems (two to five qutrits), we use a CNN trained on measurement outcomes from tensor-product mutually unbiased bases. The model achieves accurate and stable predictions and exhibits a systematic improvement in performance with system size, with the highest errors for two-qutrit systems and the lowest for five-qutrit systems. Notably, using only 12.5% of the measurements required for full state tomography is sufficient to reach 90th-percentile absolute errors of approximately 0.13-0.16 nats for both four- and five-qutrit systems. The CNN model is also robust to shot noise and generalizes well to out-of-distribution states. Overall, within the simulated settings studied here, our results indicate a transition in practical methods: VQAs are effective for small systems, while CNN-based estimators offer improved scalability and robustness for larger qutrit systems.

02.
arXiv (CS.CV) 2026-06-19

Linear Recurrent Unit with Semantic Modulation for Image Super-Resolution

Linear recurrent unit (LRU), designed with a principled formulation for stable linear recurrence, has demonstrated promising accuracy and robustness on long-range dependency tasks. However, its static parameterization and single-scan method limits its applicability to 2D vision tasks. In this study, we propose a LRU-based restoration network with a semantic modulating unit (SMU) to achieve a harmonious balance between performance and efficiency in single-image super-resolution. The SMU plays three key roles: LRU modulation, spatial categorization, and feature enhancement through learned prototype. Extensive experiments demonstrate that our method quantitatively and qualitatively surpasses recent state-of-the-art methods. Notably, our approach achieves superior performance with computational complexity on par with existing methods. The source code and models are available at https://github.com/MingyuChoi-run/LSM

03.
arXiv (math.PR) 2026-06-16

Pricing Excess-of-Loss Reinsurance and CAT Bonds under Climate Uncertainty: A Cox Process Framework with Temperature-Dependent Stochastic Intensity

arXiv:2606.14830v1 Announce Type: cross Abstract: This paper develops a climate-aware pricing framework for excess-of-loss (XL) reinsurance contracts and catastrophe (CAT) bonds under non-stationary catastrophe risk. Catastrophe arrivals are modeled as a Cox process whose stochastic intensity depends exponentially on a temperature-related climate index. To represent climate dynamics, the index is modeled as a mean-reverting Ornstein–Uhlenbeck process around a time-dependent warming trend. Within this setting, aggregate losses follow a compound Cox structure with lognormal severities. Pricing is performed under a reduced-form risk-adjusted measure, which provides a tractable valuation approach for XL reinsurance layers and binary zero-coupon CAT bond payoffs in an incomplete market setting. Because catastrophe losses are not dynamically replicable, the framework emphasizes scenario-based valuation rather than model-independent no-arbitrage bounds. A Monte Carlo valuation scheme is implemented to quantify the economic implications of climate-dependent catastrophe intensity. The numerical results show that climate dependence materially changes the loss-generation mechanism and affects the valuation of catastrophe-linked contracts. In the baseline calibration, the climate-aware model increases the excess-of-loss reinsurance premium and lowers the CAT bond price relative to the stationary benchmark. Furthermore, our analysis of the 99.5\% Tail Value-at-Risk (TVaR) indicates that stationary benchmarks may underestimate economic capital requirements by approximately 13.7\% compared to the climate-aware framework, highlighting the potential regulatory relevance of the proposed model. This finding highlights that benchmark design is critical for interpreting climate-pricing effects.

04.
arXiv (CS.AI) 2026-06-19

Conditional Diffusion Guidance under Hard Constraint: A Stochastic Analysis Approach

arXiv:2602.05533v3 Announce Type: replace Abstract: We study conditional generation in diffusion models under hard constraints, where generated samples must satisfy prescribed events with probability one. Such constraints arise naturally in safety-critical applications and in rare-event simulation, where soft or reward-based guidance methods offer no guarantee of constraint satisfaction. Building on a probabilistic interpretation of diffusion models, we develop a principled conditional diffusion guidance framework based on Doob's h-transform, martingale representation and quadratic variation process. Specifically, the resulting guided dynamics augment a pretrained diffusion with an explicit drift correction involving the logarithmic gradient of a conditioning function, without modifying the pretrained score network. Leveraging martingale and quadratic-variation identities, we propose two novel off-policy learning algorithms based on a martingale loss and a martingale-covariation loss to estimate h and its gradient using only trajectories from the pretrained model. We provide non-asymptotic guarantees for the resulting conditional sampler in both total variation and Wasserstein distances, explicitly characterizing the impact of score approximation and guidance estimation errors. Numerical experiments demonstrate the effectiveness of the proposed methods in enforcing hard constraints and generating rare-event samples. The code of the numerical experiments can be found at https://github.com/ZhengyiGuo2002/CDG_Finance.

05.
arXiv (CS.AI) 2026-06-16

MA-SBI: Misspecification-Aware Simulation-Based Inference via Side-Channel Guidance

arXiv:2606.16923v1 Announce Type: new Abstract: Simulation-based inference (SBI) of latent parameters is often hindered by simulator misspecification, the mismatch between simulated and real-world observations caused by inherent modeling simplifications. RoPE, the recent state-of-the-art for robust SBI, addresses this through optimal transport between learned representations of real and simulated observations, but requires ground-truth parameter calibration pairs that are typically unavailable in the very settings where SBI is needed. What practitioners do have is unstructured side-information such as regime labels, instruction text, and policy bulletins. We propose Misspecification-Aware Simulation-Based Inference (MA-SBI), a calibration-free framework that turns this side-channel into a posterior correction. A learned corrector maps side-channel text to an observation-space shift applied before any pre-trained amortized posterior, requiring no retraining and no parameter ground-truth. Our main theorem bounds achievable bias reduction by the mutual information between misspecification and side-channel, with a non-vacuous constant that extends to all sub-Gaussian noise via Donsker-Varadhan. On hide-the-calibration benchmarks, MA-SBI with text alone matches the oracle posterior across 10 seeds and two backbones (TOST equivalence), while RoPE given more data does not. The two approaches are complementary: where misspecification is structural and recoverable from parameter pairs, RoPE dominates, as the theory predicts. A stochastic variant improves posterior-predictive log-likelihood on real COVID and OxCGRT epidemiological data, and correctly leaves the posterior unchanged on a well-specified cognitive-science corpus.

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

Reconstruction of detector error model for quantum error correction

arXiv:2606.16288v1 Announce Type: new Abstract: Fault-tolerant quantum computing fundamentally relies on the accurate characterization of circuit-level noise to optimize decoding algorithms. However, extracting complex multi-body error correlations remains challenging. Contemporary greedy inference algorithms can suffer from statistical distortion, discarding true physical mechanisms while introducing many unphysical false positives. Here, we introduce the Correlation-Analysis-based Hypergraph Reconstruction (CAHR) algorithm, a globally consistent framework to invert experimental syndrome statistics directly into discrete physical hypergraphs. By coupling exact algebraic correlation equations with a top-down concurrent-pruning strategy, CAHR recovers the fault topology without false positives for both $d=5$ rotated surface codes and dense 8-body 2D color codes in our benchmark settings. Furthermore, we show that exact continuous parameter extraction in dense codes is limited by a variance cascade, where absolute statistical variance accumulates linearly from high- to low-degree mechanisms. This motivates a two-stage inference paradigm: utilizing CAHR to extract the fault topology, followed by continuous probability optimization. This provides a practical approach for characterizing and decoding highly correlated noise in realistic quantum hardware.

07.
arXiv (CS.CL) 2026-06-11

Agent Skill Evaluation and Evolution: Frameworks and Benchmarks

The growth of agent skills has transformed how agentic systems are built, evaluated, and deployed. As skill libraries continue to scale, rigorous evaluation becomes critical to ensuring their utility, quality, and safety in real-world applications. Consequently, the field is undergoing an emerging paradigm shift from isolated skill creation to automated, evaluation-driven skill evolution. In this survey, we systematically examine the landscape of skill evolution and evaluation beyond foundational skill creation. We categorize evolution into four distinct paradigms, spanning execution feedback, trajectory distillation, compression, and reinforcement learning, showing how each element contributes to improving skill utility and reliability. We also provide an analysis of six skill-centric benchmark categories, identifying structural gaps in benchmark coverage, trade-offs, and metric richness to advance skill research. Finally, we identify open directions for building skill ecosystems that are generalizable, efficient, and verifiably safe. The project URL is https://github.com/Cassie07/AgentSkill_Survey

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

Decision-Weighted Flow Matching for Contextual Stochastic Optimization

arXiv:2606.16790v1 Announce Type: cross Abstract: Conditional generative models are increasingly used as scenario generators for stochastic optimization, but standard training objectives emphasize uniform distributional fit rather than the downstream decisions induced by generated scenarios. This creates an objective mismatch: errors in statistically common regions may have little effect on decision regret, whereas errors in decision-sensitive regions can substantially change the optimal action. We propose Decision-Weighted Flow Matching (DW-FM), a regret-aligned training framework that preserves the simplicity of standard flow matching while reweighting its velocity-regression objective using decision-sensitive endpoint information. Theoretically, we connect downstream regret to pathwise velocity mismatch through a loss-induced decision discrepancy and an adjoint transport argument, yielding an ideal regret-aligned surrogate and practical endpoint-weighted objectives with regret guarantees. Empirically, we demonstrate the effectiveness of DW-FM on three CVaR-based contextual stochastic optimization benchmarks spanning synthetic portfolio, semi-real financial, and traffic-CVaR tasks, where DW-FM improves downstream regret over standard baselines.

09.
arXiv (CS.AI) 2026-06-19

Neural Additive and Basis Models with Feature Selection and Interactions

arXiv:2606.19850v1 Announce Type: cross Abstract: Deep neural networks (DNNs) exhibit attractive performance in various fields but often suffer from low interpretability. The neural additive model (NAM) and its variant called the neural basis model (NBM) use neural networks (NNs) as nonlinear shape functions in generalized additive models (GAMs). Both models are highly interpretable and exhibit good performance and flexibility for NN training. NAM and NBM can provide and visualize the contribution of each feature to the prediction owing to GAM-based architectures. However, when using two-input NNs to consider feature interactions or when applying them to high-dimensional datasets, training NAM and NBM becomes intractable due to the increase in the computational resources required. This paper proposes incorporating the feature selection mechanism into NAM and NBM to resolve computational bottlenecks. We introduce the feature selection layer in both models and update the selection weights during training. Our method is simple and can reduce computational costs and model sizes compared to vanilla NAM and NBM. In addition, it enables us to use two-input NNs even in high-dimensional datasets and capture feature interactions. We demonstrate that the proposed models are computationally efficient compared to vanilla NAM and NBM, and they exhibit better or comparable performance with state-of-the-art GAMs.

10.
arXiv (CS.AI) 2026-06-16

Stable Menus of Public Goods: AI-Enabled Progress

Authors:

arXiv:2606.16989v1 Announce Type: cross Abstract: Using an open problem from the EC 2025 paper "Stable Menus of Public Goods" as a testbed, we conduct experiments to understand the effectiveness of different AI-for-EconCS research workflows. Specifically, we study three questions: Does providing human intuition in the prompt help? Does automated multi-turn interaction help? And, does an LLM outperform a first-year PhD student? Regarding the first two questions, we provide evidence for the following workflow suggestions: (1) prompting with human intuition can encourage the LLM to have better "taste", (2) multi-turn workflows help when the pipeline encourages "ambitious" steps. Regarding the third question, using an unpublished manuscript written by the paper's senior authors prior to collaborating with the first-year PhD student, we compare the effectiveness of the LLM with that of the first-year PhD student, and find that the LLM is slightly less effective.

11.
arXiv (quant-ph) 2026-06-17

Impact of Network Constraints on Fault-Tolerant Distributed Quantum Computing

arXiv:2606.17495v1 Announce Type: new Abstract: As we move towards scalable and modular quantum computing, quantum data centres become imperative. Existing analyses typically treat network constraints in isolation or through simplified models, leaving the interplay between error correction operations and communication resources underexplored. In this work, we present an end-to-end simulation framework that jointly models surface-code operations, internal QPU connectivity, and realistic network constraints including finite entanglement generation rates, limited communication qubits, and bandwidth contention, producing execution latency, from which logical error rate estimates are obtained. The framework is modular by design, allowing individual components such as routing heuristics, scheduling policies, and network topologies to be independently replaced. Numerical evaluation reveals distinct operating regimes in which the optimal resource allocation and code distance selection shift depending on the network characteristics. These results point to tradeoffs in the design of distributed quantum computing architectures that are not visible when computation and communication are modeled separately.

12.
arXiv (quant-ph) 2026-06-17

Quantum-inspired Ising machine using sparsified spin connectivity

arXiv:2604.04606v2 Announce Type: replace-cross Abstract: Combinatorial optimization problems become computationally intractable as these NP-hard problems scale. We previously proposed extraction-type majority voting logic (E-MVL), a quantum-inspired algorithm using digital logic circuits. E-MVL mimics the thermal spin dynamics of simulated annealing (SA) through controlled sparsification of spin interactions for efficient ground-state search. This study investigates the performance potential of E-MVL through systematic optimization and comprehensive benchmarking against SA. The target problem is the Sherrington-Kirkpatrick (SK) model with bimodal and Gaussian coupling distributions. Through equilibrium state analysis, we demonstrate that the sparsity control mechanism provides a consistent search of the solution space regardless of the problem's coupling distribution (bimodal, Gaussian) or size. E-MVL not only achieves the best performance among all tested algorithms–solving exact solutions up to 1600 spins where the best SA baseline is limited to 400 spins–but also provides insights that significantly improve SA's own temperature scheduling. These results establish E-MVL's dual contribution as both an efficient optimizer and a practical methodology for enhancing SA performance. Moreover, FPGA implementation achieved an approximately 6-fold faster solution speed than SA.

13.
bioRxiv (Bioinfo) 2026-06-11

Sequence-Based Therapeutic Peptide Classification with Augmented Negative Sampling

Therapeutic peptides offer high target specificity, low toxicity, and the ability to modulate protein-protein interactions, yet experimental functional characterization remains costly and slow. Computational prediction of therapeutic function directly from sequence could accelerate peptide screening and enable generative design pipelines, but requires reliable discrimination between therapeutic and non-therapeutic peptides. Existing multi-label predictors cover few functions, rely on limited datasets, and exhibit high glspl{fpr}, limiting their practical utility. We present a lightweight CNN classifier trained on the most comprehensive therapeutic peptide database to date (54,655 peptides, 48 functional categories). A key contribution is a statistically motivated negative sampling strategy using Markov models to generate diverse synthetic decoys at multiple difficulty levels. When evaluated on this controlled decoy benchmark, the FRP is reduced from over 60% for previous models to 2.1% for our approach. Our fine-tuned five-model ensemble achieves 78.9% Micro F1 and 54.6% Macro F1 while requiring only amino acid sequences as inputs. Analysis using a sparse L1-constrained variant of our model shows that convolutional filters capture conserved functional motifs and statistically improbable non-therapeutic patterns, with downstream layers combining these signals, providing mechanistic evidence that the network learns biologically meaningful structure. In a generalization task on the TPpred-LE benchmark, our model achieves 55.3% Micro F1 and 38.6% Macro F1, comparable to TPpred-LE trained on its native dataset (57.9%/38.1%) while predicting four times more therapeutic functions with four times fewer parameters. Code and models will be made available at https://github.com/terra-quantum-public/tq-therapep-ai.

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

From Compression to Deployment: Real-Time and Energy-Efficient FastGRNN on Ultra-Constrained Microcontrollers

arXiv:2606.17249v1 Announce Type: cross Abstract: The dominant trajectory of modern machine learning has been to scale up: larger models, larger accelerators, larger memory budgets. Yet a multi-year global semiconductor supply constraint and the growing energy and carbon cost of always-online inference expose the fragility of this trajectory and motivate the opposite direction: refactoring AI and ML algorithms to fit the small, ubiquitous microcontrollers already in mass production in wearables, sensors, and edge appliances. We present an end-to-end open-source reproduction of FastGRNN, a compact gated recurrent cell, deployed on two bare-metal targets: the 8-bit Arduino (ATmega328P) and the 16-bit MSP430 (no hardware multiplier; 16 KB Flash; 512 B SRAM). Our compression pipeline combines low-rank weight factorization, iterative hard-thresholding sparsity, and per-tensor Q15 post-training quantization with explicit activation calibration. The deployed model occupies 566 bytes of weights and achieves macro F1 = 0.918 (seed 0; five-seed Q15 mean 0.853+-0.107) on the HAPT test set. It matches a PyTorch reference at 100% prediction agreement across 3,399 test windows (MCU seed 0; 99.91-100% C-equivalent across five seeds). Both platforms sustain real-time 50 Hz streaming inference (9.21 ms per sample on Arduino; 13 ms on MSP430), where a 256-entry sigmoid/tanh look-up table delivers a 30.5x speedup on the multiplier-less MSP430. Four contributions extend the original FastGRNN paper: (i) cross-platform bit-equivalent deterministic inference; (ii) characterization of recurrent warm-up latency (median 74 samples, 1.48 s; worst-case 125 samples, 2.50 s over 100 test windows); (iii) a deployable look-up-table recipe for multiplier-less embedded targets; and (iv) hardware energy characterization showing 17.7 mW active inference power,

15.
arXiv (CS.AI) 2026-06-19

Speeding up the annotation process in semantic segmentation industrial applications

arXiv:2606.19934v1 Announce Type: cross Abstract: Current machine learning models commonly require large and well-annotated datasets. However, the annotation process often becomes a bottleneck, with increased complexity leading to higher chances of human errors. Within this context, our goal in this paper is to leverage unsupervised algorithms to improve data annotation efficiency for complex semantic segmentation problems in industrial materials science. Previous research has quantified labeling time and others explored unsupervised methods. However, to the best of our knowledge, this is the first study to quantify how much unsupervised algorithms accelerate the labeling process. We aim to validate the extent to which this laborious process can be accelerated, focusing on semantic segmentation tasks that involve annotating each pixel of high-resolution images, such as the microstructure characterization challenge in materials science. Specifically, we demonstrate that by using unsupervised computer vision algorithms, the time required for the labeling process can be reduced from 170 hours to 37 hours, achieving an approximate reduction of 78\%. The dataset we work with includes large images of dimensions 1280x959 and 960x703, which further increases the complexity of the annotation task. Despite these challenges, we create and share the largest public steel microstructure segmentation dataset to date, available under MIT License with permanent DOI, contributing a fully annotated, high-resolution dataset to the field. Additionally, this is the first work to compare the labeling time from scratch (a common approach in previous studies) to the labeling time when using these unsupervised algorithms as a pre-annotation step. Furthermore, we provide a Deep Learning model trained on this dataset, validated by field experts, and deployed in an industrial setting, serving as an initial benchmark for this public dataset.

16.
arXiv (CS.AI) 2026-06-12

Evaluation Sovereignty in Metadata-Driven Classification: A Multi-Track Framework for Weakly Supervised Information Systems

arXiv:2606.13436v1 Announce Type: new Abstract: Evaluation in machine learning is typically treated as a neutral measurement process. However, in operational information systems, evaluation outcomes are often conditioned by the processes used to generate labels. This paper does not seek to improve classification performance. Instead, it examines the validity of performance measurement under differing label-authority regimes. This issue is particularly relevant in large-scale metadata-driven systems, where labels are often incomplete, inconsistent, or weakly supervised. We introduce evaluation sovereignty, defined as the degree to which performance metrics are independent of label authority and supervision regime, and propose a multi-track evaluation framework that systematically varies training and evaluation label sources. Using hierarchical multi-label classification on large-scale scientific metadata, we demonstrate that models exhibiting strong performance under operational ("silver") evaluation degrade substantially under independent ("gold") evaluation, particularly for fine-grained classification. For example, Micro-F1 decreases from approximately 0.54 to 0.03. Notably, ranking-based metrics remain above baseline, revealing a divergence between latent model signal and classification validity. These findings suggest that commonly reported performance metrics may reflect alignment with labeling processes rather than true predictive capability. We therefore reconceptualize evaluation validity as a system-level property shaped by label governance and provide a practical methodology for auditing intelligent systems operating under weak supervision.

17.
arXiv (CS.AI) 2026-06-15

A Deep Reinforcement Learning (DRL)-Based Transformer Method for Solving the Open Shop Scheduling Problem

arXiv:2606.13682v1 Announce Type: new Abstract: The open shop scheduling problem (OSSP) arises in many industrial and service settings but remains computationally challenging as the number of jobs and machines increases. While exact methods quickly become intractable, classical dispatching rules and metaheuristics may require substantial tuning to maintain solution quality at large scales. This study develops a Transformer-based scheduling policy for OSSP using an encoder-decoder architecture with multi-head attention. The model is trained on Taillard benchmark instances (4x4, 5x5, 7x7, and 10x10) using only the processing-time matrix as input and produces feasible schedules with makespans typically within 15-30% of best-known values. To evaluate scalability, the trained policy is applied without retraining to randomly generated instances from 40x40 to 100x100 and compared against classical dispatching heuristics, including SPT, LPT, MWKR, and EST. Across these large instances, the Transformer achieved average gaps of 12.89-15.12% relative to a standard lower bound. Compared with EST, the Transformer remained competitive, typically within a modest margin, while substantially outperforming SPT and LPT. These results indicate that a Transformer policy trained on small OSSP instances can generalize to substantially larger problems and provide a feature-light, learning-based alternative to classical dispatching rules.

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

Direction-Conditioned Policies via Compositional Subgoal Scoring for Online Goal-Conditioned Reinforcement Learning

arXiv:2606.16515v1 Announce Type: cross Abstract: Hamilton-Jacobi-Bellman theory implies that the optimal goal-conditioned action depends on the goal only through the gradient of the goal-reaching distance at the current state, yet standard online GCRL still conditions the actor on the raw goal – a signal that is geometrically uninformative when the goal is far from the data distribution. We propose Direction-Conditioned Policies (DCP), a fully online method that decomposes goal-reaching into two components sharing one InfoNCE representation $\psi$: a subgoal-scoring step that selects a visited state $z_t$ aligned with the final goal $g$ in $\psi_g$, and a direction-conditioned actor that consumes the unit direction $d_t$ and magnitude $r_t$ from $\psi(s_t)$ to $\psi(z_t)$. The two components train jointly, factor cleanly at deployment (subgoal scoring is removed, while direction conditioning remains with $g$ in place of $z_t$), and admit independent modification at the same $(d_t,r_t)$ interface. We prove three results. First, direction sufficiency under HJB: the optimal action under control-affine dynamics depends on the goal only through the value gradient. Second, a quantitative bound showing that, under mild conditions on the learned representation and assuming the scoring rule returns an on-path $z_t$, the actor's conditioning input at training and at deployment coincide up to representation error and geodesic slack. Third, a controllable-subspace characterization of when directional conditioning fails. Across nine environments, DCP improves over Contrastive RL on most final metrics, with the largest gains on manipulation and obstacle-interaction tasks; a qualitative analysis of the learned $\psi$-distance landscape shows the contrastive representation behaves as an online quasimetric encoding environment topology, and the single failure case (AntSoccer) localizes to a learned-gradient pathology that the theory anticipates.

19.
arXiv (CS.LG) 2026-06-18

Data-driven sparse identification of governing PDEs via knockoff filters and multi-criteria trade-offs

arXiv:2605.26631v2 Announce Type: replace-cross Abstract: We propose KO-PDE-IDENT, a data-driven framework for identifying parsimonious partial differential equations (PDEs) with false discovery rate (FDR) control. PDE discovery from noisy observations is often hindered by extreme multicollinearity among candidate terms, which causes typical sparse-regression methods to select spurious terms. To address this problem, KO-PDE-IDENT initially mines a support set of potential candidate terms via model-X knockoff filters with finite-sample FDR control, then refines and ranks the surviving PDE alternatives. The framework integrates three components. First, knockoff feature statistics are constructed by coupling $\ell_{0}$-constrained adaptive best-subset selection with SHapley Additive exPlanations (SHAP), yielding an effective and computationally efficient difference statistic. Second, a recursive feature elimination (RFE) procedure removes terms whose marginal contributions are dispensable and assesses statistical necessity through knockoff-perturbed hypothesis testing. Third, the final model selection is formulated as a multi-criteria decision-making (MCDM) problem, where the optimal governing equation is the alternative that best balances a wide range of criteria such as predictive accuracy, model complexity and coefficient uncertainty. We evaluate KO-PDE-IDENT on five canonical PDEs under severe noise corruption. Empirical results show that our framework can exactly recover the true PDE structure, eliminating false discoveries while retaining all true underlying terms, with low coefficient estimation error.

20.
arXiv (CS.CL) 2026-06-12

Rethinking Psychometric Evaluation of LLMs: When and Why Self-Reports Predict Behavior

Anticipating LLM behavioral tendencies from low-cost psychometric probes is critical for safe deployment, but only if self-reports (SR) reliably predict behavior. Recent work documented substantial SR-behavior dissociation in LLMs, but relied on broad personality traits (Big 5) that predict specific behaviors weakly, even in humans. Furthermore, the isolation of conversational sessions combined with weak context matching left open whether LLMs truly lack coherence or whether the conditions needed to detect such coherence were not met. We contrast Big 5 with the Theory of Planned Behavior (TPB), which measures intention targeted to a specific behavior and predicts human behavior substantially better than broad traits. We run experiments across four behavioral tasks and 11 frontier LLMs, while also varying session context and identity induction. We find that SR-behavior coherence exists but is selective. 1) Within a shared conversation, the Theory of Planned Behavior reaches human-level coherence; Big 5 does not. 2) Across separate conversations, coherence survives only for behaviors anchored outside the immediate prompt, such as implicit bias shaped by training, and collapses when behavior is strongly primed by context, as with sycophancy. 3) Persona prompting makes self-reports more consistent across conversations, but does not bring behavior into alignment. These findings suggest that coarse personality frameworks, such as Big 5 may not be the best tools for testing deployment behavior. More task- and behavior-specific instruments are needed, and even these must be evaluated across tasks and contexts.

21.
arXiv (quant-ph) 2026-06-16

Excited-State Quantum Chemistry on Qumode-Based Processors via Variational Quantum Deflation

arXiv:2604.13457v3 Announce Type: replace Abstract: Variational quantum algorithms on bosonic quantum processors are an emerging paradigm for quantum chemistry calculations, exploiting the natural alignment between molecular structure and harmonic oscillator-based hardware. We introduce the qumode-based variational quantum deflation framework (QumVQD) for finding both electronic and vibrational excited state energies on qumode-based architectures. We validate the approach through electronic structure calculations on H$_{2}$ and linear H$_{4}$, where we introduce Hamming-weight filtering of the Fock basis to enforce particle number conservation and eliminate spurious eigenstates by reducing the required Hilbert space, which reduces the required number of qumodes in turn. We achieve agreement with full configuration interaction (FCI) using the STO-3G basis set within the chemical accuracy threshold at most points along the potential energy surfaces. Extending to the vibrational structure, we combine QumVQD with an existing Hamiltonian fragmentation approach based on Cartan subalgebra, allowing us to compute the vibrational eigenenergies of CO$_{2}$ and H$_{2}$S to spectroscopic accuracy with per-fragment circuits that scale as $O(N)$ in single-qumode gates and $O(N^2)$ in beam-splitter gates for $N$ qumodes. For the case of CO$_{2}$, we get total gate counts more than an order of magnitude smaller than those reported for qubit-based vibrational algorithms at this system size. These results demonstrate that bosonic quantum devices are a viable platform for excited-state quantum chemistry, particularly for vibrational problems where qubit-based methods incur substantial boson-to-qubit mapping overhead.

22.
arXiv (CS.CL) 2026-06-16

GePBench: Evaluating Fundamental Geometric Perception for Multimodal Large Language Models

Geometric shapes play important roles in both physical world and human cognition. While multimodal large language models (MLLMs) have made significant advancements in visual understanding, their abilities to recognize geometric shapes and their spatial relationships, which we term geometric perception, are not explicitly and systematically explored. To address this gap, we introduce GePBench, a novel benchmark specifically designed to assess the geometric perception capabilities of MLLMs. Our extensive evaluations reveal that even the current state-of-the-art MLLMs exhibit significant deficiencies in geometric perception tasks. Furthermore, we show that models trained with GePBench data demonstrate considerable improvements on a wide range of downstream tasks, highlighting the critical role of geometric perception in enabling advanced multimodal applications. Our code and datasets are available at \href{https://github.com/Changhao-Xiang/GePBench}{https://github.com/Changhao-Xiang/GePBench}.

23.
arXiv (CS.CV) 2026-06-19

CoMo: Learning Continuous Latent Motion from Internet Videos for Scalable Robot Learning

Unsupervised learning of latent motion from Internet videos is crucial for robot learning. Existing discrete methods generally mitigate the shortcut learning caused by extracting excessive static backgrounds through vector quantization with a small codebook size. However, they suffer from information loss and struggle to capture more complex and fine-grained dynamics. Moreover, there is an inherent gap between the distribution of discrete latent motion and continuous robot action, which hinders the joint learning of a unified policy. We propose CoMo, which aims to learn more precise continuous latent motion from internet-scale videos. CoMo employs an early temporal difference (Td) mechanism to increase the shortcut learning difficulty and explicitly enhance motion cues. Additionally, to ensure latent motion better captures meaningful foregrounds, we further propose a temporal contrastive learning (Tcl) scheme. Specifically, positive pairs are constructed with a small future frame temporal offset, while negative pairs are formed by directly reversing the temporal direction. The proposed Td and Tcl work synergistically and effectively ensure that the latent motion focuses better on the foreground and reinforces motion cues. Critically, CoMo exhibits strong zeroshot generalization, enabling it to generate effective pseudo action labels for unseen videos. Extensive simulated and real-world experiments show that policies co-trained with CoMo pseudo action labels achieve superior performance with both diffusion and auto-regressive architectures.

24.
bioRxiv (Bioinfo) 2026-06-13

ProtAff: Protein Binding Affinity Prediction via LoRA-Finetuned ESM-2

Predicting the binding affinity of protein–protein interactions remains a central challenge in computational biology. Structure prediction models such as AlphaFold3 (AF3) and Boltz-2 can produce high-quality docking poses, and their confidence scores indicate structure quality, but these same scores fail to rank binding affinity among confirmed binders. Here we present ProtAff, a sequence-only affinity prediction model built on ESM-2 (650M parameters) with low-rank adaptation (LoRA) fine-tuning and a cross-attention module. ProtAff is trained using a margin ranking loss on 362,567 affinity measurements spanning 20 heterogeneous data sources, and we removed all training samples whose target sequence exceeds 50% similarity to the test target EGFR. On the AdaptyvBio EGFR benchmark (N = 55), ProtAff achieves a Spearman correlation coefficient {rho} = 0.413, outperforming the best AF3 metric ({rho} = 0.054), the best Boltz-2 metric ({rho} = -0.046), and ML-based predictors MINT ({rho} = 0.242) and CrossAffinity ({rho} = 0.216). Applied to the AdaptyvBio Nipah virus binder design competition, a pipeline incorporating ProtAff for affinity ranking produced a design with KD = 0.132 nM (2 of 5 designs confirmed binding), a 2.8-fold improvement over the competition winner. On a cross-target discrimination benchmark of 91 VHH-antigen crystal structures, ProtAff underperforms structural methods for distinguishing cognate from non-cognate pairings, indicating that sequence-based affinity models are effective for within-target ranking but not for cross-target specificity.

25.
arXiv (CS.AI) 2026-06-12

Graph Reduction in Multirelational Networks: A Spreading-Oriented Reduction Benchmark

arXiv:2606.12581v1 Announce Type: cross Abstract: Real-world networks are inherently incomplete, noisy, and dynamically evolving, making it difficult to capture all actors and their relationships. Their scale often renders direct analysis computationally demanding. While influence maximisation (IM) has been widely studied, the role of graph reduction as a preprocessing step, and its impact on IM accuracy, remains underexplored. In this work, we introduce the Spreading-Oriented Reduction Benchmark (SORB), an open-source, standardised framework for systematically evaluating IM models across diverse task settings. SORB provides an extensible pipeline operating on a representative collection of real-world networks, including single- and multilayer structures, and accounts for graph reduction directly into the evaluation process. This design shifts the focus from analysing IM algorithms in isolation to quantifying how graph reduction alters predictive performance. Using SORB, we study the effects of sparsification and coarsening across multiple IM scenarios. Our results show that the impact of reduction is strongly dependent on both the network type (single-layer vs. multirelational) and the downstream task ($Gain@k$ vs. $\mathrm{AUC}_{\mathrm{cutoff}}$): sparsification preserves seed set quality on single-layer networks, whereas flattened multilayer networks exhibit systematic ranking degradation regardless of reduction strategy. These findings highlight the importance of reduction-aware, multi-task evaluation when studying spreading processes in complex networks.