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

Residual-Space Evolutionary Optimization via Flow-based Generative Models

arXiv:2606.20084v1 Announce Type: new Abstract: Data editing with generative methods typically requires differentiable objectives and gradient-based search. However, these assumptions break down in flow-based settings, where edits are performed through forward and backward integration and often involve non-differentiable or black-box objectives. We introduce residual-space evolutionary optimization, a model-agnostic framework that addresses this gap by combining flow-based generative editing with evolutionary algorithms. Building on the observation that conditional flow matching (CFM) can disentangle condition-controlled factors from instance-specific residuals, our framework directly operates in residual space and separates two complementary search regimes: self-pollination performs local exploitation through feature-preserving residual refinement, and cross-pollination promotes broader exploration by recombining residuals across heterogeneous samples. As a proof of concept, we validate on MorphoMNIST, a benchmark dataset for counterfactual generation, and on crystal data, demonstrating that this exploration–exploitation decomposition provides a useful mechanism for balancing target alignment, instance preservation, and diversity, and extends beyond images to real-world scientific domains.

02.
arXiv (CS.LG) 2026-06-12

Is Stochastic Gradient Descent Effective? A PDE Perspective on Machine Learning processes

arXiv:2501.08425v3 Announce Type: replace Abstract: In this paper we analyze the behaviour of the stochastic gradient descent (SGD), a widely used method in supervised learning for optimizing neural network weights via a minimization of non-convex loss functions. Since the pioneering work of E, Li and Tai (2017), the underlying structure of such processes can be understood via parabolic PDEs of Fokker-Planck type, which are at the core of our analysis. Even if Fokker-Planck equations have a long history and a extensive literature, almost nothing is known when the potential is non-convex or when the diffusion matrix is degenerate, and this is the main difficulty that we face in our analysis. We identify two different regimes: in the initial phase of SGD, the loss function drives the weights to concentrate around the nearest local minimum. We refer to this phase as the drift regime and we provide quantitative estimates on this concentration phenomenon. Next, we introduce the diffusion regime, where stochastic fluctuations help the learning process to escape suboptimal local minima. We analyze the Mean Exit Time (MET) and prove upper and lower bounds of the MET. Finally, we address the asymptotic convergence of SGD, for a non-convex cost function and a degenerate diffusion matrix, that do not allow to use the standard approaches, and require new techniques. For this purpose, we exploit two different methods: duality and entropy methods. We provide new results about the dynamics and effectiveness of SGD, offering a deep connection between stochastic optimization and PDE theory, and some answers and insights to basic questions in the Machine Learning processes: How long does SGD take to escape from a bad minimum? Do neural network parameters converge using SGD? How do parameters evolve in the first stage of training with SGD?

03.
medRxiv (Medicine) 2026-06-15

Population-scale genomics reveals divergent pathogenicity of variant classes across paralogous collagen IV genes

Monoallelic pathogenic or likely pathogenic variants in COL4A3 and COL4A4 occur in approximately 1 in 106 individuals, yet whether these paralogous genes confer equivalent pathogenicity for the same variant classes has not been tested at population scale. Using whole-genome sequencing data from the UK Biobank (UKB; n = 500,000), with replication in the All of Us Research Program (n = 414,000), we performed per-variant association testing, gene-based collapsing analyses and phenome-wide association studies (PheWAS) across haematuria, proteinuria and chronic kidney disease. We identified 64 COL4A3 and 92 COL4A4 rare variants significantly associated with haematuria or proteinuria, generating a quantitative allelic series for clinical variant interpretation. Glycine substitutions within collagenous domains conferred similar risks in both genes. In contrast, truncating and non-collagenous domain (NC1) missense variants were strongly associated with haematuria and proteinuria in COL4A4 carriers but showed substantially attenuated or absent associations in COL4A3 carriers despite comparable carrier frequencies and predicted pathogenicity scores. These findings were independently replicated in All of Us. Genome-wide association analysis identified the COL4A3/COL4A4 locus as the dominant genetic determinant of haematuria, with the signal attributable to the aggregate effects of rare coding variants and no evidence of independent common variant or trans-acting modifier effects. These findings demonstrate substantial gene-specific differences in tolerance to truncating and NC1 variants between COL4A3 and COL4A4, challenging assumptions of equivalent pathogenicity across paralogous collagen IV genes. Gene identity and not variant class alone, should inform risk stratification, variant interpretation and genetic counselling in individuals carrying collagen IV risk genotypes.

04.
arXiv (CS.LG) 2026-06-16

Decoupling Inference from State Updates in Low-Latency Feature Engines via Probabilistic Thinning

arXiv:2606.16981v1 Announce Type: cross Abstract: Streaming data systems increasingly underpin Machine Learning workflows that maintain large numbers of continuously updated aggregations. In production settings, each incoming event typically triggers read-modify-write operations to persistent storage, making high-frequency state updates a dominant source of latency, contention, and operational cost. In this work, we decouple inference from state persistence in streaming Machine Learning pipelines via probabilistic thinning: every event is scored, but durable state updates are selectively triggered by informative events. Unlike approaches that shed input or state, we show that persistence-path control is achievable without a high-frequency in-memory control plane or cross-worker coordination, relying exclusively on approximate statistics retrieved from disk-backed key-value stores. We model the resulting stochastic processes, derive bounds on filtering rates, and prove that common time-based aggregations remain unbiased under variance-aware formulations, preventing systemic error accumulation. We evaluate the approach in a controlled setting that isolates per-event costs, demonstrating substantial reductions in storage Input/Output and serialization overhead. Across experiments, up to 90% of events are excluded from the persistence path while preserving and in some cases improving downstream utility.

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

On the Position Bias of On-Policy Distillation

arXiv:2606.22600v2 Announce Type: replace-cross Abstract: On-Policy Distillation (OPD) improves the learning efficiency of standard reinforcement learning through dense, token-level supervision from teachers. In the standard KL objective of OPD, token-level losses are uniformly averaged, implying equal weights for all tokens. However, we discover that not all tokens are created equal: as student rollouts grow longer, they deviate further from the teacher's distribution, leading to degraded supervision quality at later positions. As a result, OPD using only the first 30% of tokens can perform comparably to using all tokens, whereas OPD using only the last 30% of tokens barely learns anything. In this work, we provide a principled understanding of this issue through the lens of constrained optimization. Based on these insights, we derive Importance-Weighted On-Policy Distillation (IW-OPD), in which the weight assigned to each token depends on the accumulated discrepancy between the student's and teacher's distributions, naturally upweighting earlier tokens and downweighting later ones with larger deviations. We show that IW-OPD converges significantly faster than OPD, with better learning efficiency, and achieves better final performance than standard OPD in both same-size and cross-scale settings, improving performance up to 6.9 points on AIME-2025.

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

Impact of Connectivity on Laplacian Representations in Reinforcement Learning

arXiv:2603.08558v3 Announce Type: replace Abstract: Learning compact state representations in Markov Decision Processes (MDPs) has proven crucial for addressing the curse of dimensionality in large-scale reinforcement learning (RL) problems. Existing principled approaches leverage structural priors on the MDP by constructing state representations as linear combinations of the state-graph Laplacian eigenvectors. When the transition graph is unknown or the state space is prohibitively large, the graph spectral features can be estimated directly via sample trajectories. In this work, we prove an upper bound on the approximation error of linear value function approximation under the learned spectral features. We show how this error scales with the algebraic connectivity of the state-graph, grounding the approximation quality in the topological structure of the MDP. We further bound the error introduced by the eigenvector estimation itself, leading to an end-to-end error decomposition across the representation learning pipeline. Additionally, our expression of the Laplacian operator for the RL setting, although equivalent to existing ones, prevents some common misunderstandings, of which we show some examples from the literature. Our results hold for general (non-uniform) policies without any assumptions on the symmetry of the induced transition kernel. We validate our theoretical findings with numerical simulations on gridworld environments.

07.
arXiv (CS.LG) 2026-06-16

Hierarchical Advantage Weighting for Online RL Fine-Tuning of VLAs from Sparse Episode Outcomes

arXiv:2606.17043v1 Announce Type: cross Abstract: When pretrained VLA policies are fine-tuned through online RL, each rollout episode produces only a single binary outcome (success or failure), yet the actor update requires per-transition supervision. Existing approaches commonly reduce this sparse outcome to a single scalar reward or advantage signal, which conflates distinct forms of transition-level feedback and provides limited guidance once basic task success becomes achievable. First, a single scalar signal conflates the two objectives of viability and efficiency; once basic success is achieved, the binary label provides no gradient to distinguish efficient completions from slow ones. Second, real-world rollouts mix autonomous and intervention segments; naively assigning episode outcomes across these boundaries introduces incorrect credit assignment. To address these issues, we propose Hierarchical Advantage-Weighted Behavior Cloning (HABC), which trains separate critic heads for these two objectives on different data subsets and combines their outputs with a state-adaptive balance. A state-adaptive gate $g_t$ merges their one-step advantages, prioritizing viability when success is uncertain and shifting to efficiency only when viability is high, and converts the result into per-transition weights on the actor loss. Intervention-aware credit assignment further restricts outcome labels to segments executed by the current policy, preventing supervision from leaking across intervention boundaries. In real-robot experiments on three contact-rich bimanual tasks, HABC raises success from supervised fine-tuning (SFT) baselines of 36%, 44%, and 12% to 92%, 88%, and 38%.

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

Virtual Sensing to Enable Real-Time Monitoring of Inaccessible Locations & Unmeasurable Parameters

arXiv:2412.00107v2 Announce Type: replace-cross Abstract: Real-time monitoring of safety-critical interior states remains an open problem in energy systems where physical instrumentation is infeasible. Existing approaches rely on explicit governing equations, finite-dimensional state vectors, or per-instance retraining, which prevents mesh-independent, field-level inference at arbitrary interior coordinates under real-time constraints. We introduce operator-based virtual sensing for nuclear-grade thermal-fluid systems: we use the neural-operator framework to learn solution operators that map sparse boundary measurements to coupled internal fields in physically inaccessible regions, framing the problem class explicitly to distinguish it from classical state estimation and pointwise soft sensing. We instantiate this framework with MIMONet, a branch-trunk operator extended with three practical choices: multi-modal branch encoders for heterogeneous (scalar and function-valued) inputs; multiplicative branch fusion to preserve the bilinear PDE coupling structure; and shared-latent multi-field decoding with per-channel basis projections at the trunk's final layer. Evaluated across escalating complexity, from canonical lid-driven cavity flow to pressurized water reactor subchannels to fully coupled heat exchangers, MIMONet achieves below 5% relative errors and sub-millisecond inference on data-center accelerators (0.35 ms / 46 mJ per heat-exchanger inference on an NVIDIA H200, and sub-millisecond across the A40-H200-GH200 range), while remaining stable under 50% sensor noise. By staying accurate as geometric confinement and physics coupling intensify, MIMONet shows that operator-based virtual sensing can restore observability where physical instrumentation fails, establishing simulation-based feasibility within the evaluated operating envelopes as a step toward future experimental and cross-solver validation for safety-critical energy systems.

09.
arXiv (CS.CV) 2026-06-24

MotifGen: Spatiotemporal interpolation of misaligned satellite images via multi-source generative modeling, in an application to tropical cyclones

Microwave satellite imagery plays a crucial role in monitoring tropical cyclone precipitation and intensity worldwide, but suffers from long revisit times, potentially missing rapid storm evolution phases. While this raises the need for an interpolation method, it is made challenging by the high level of heterogeneity of microwave data coming from different instruments. In this work, we introduce the first generative model that can be applied to multiple geospatial sources that change across samples, occur at irregular time intervals, are misaligned geographically, and come from instruments with varying characteristics. We apply this model to the case of spatio-temporal interpolation of tropical cyclone microwave images from other microwave and infrared instruments. We train using a self-supervised task in which a random source is masked and reconstructed, and show that it leads to a significant decrease in Continuous Ranked Probability Score over supervised training. We show a further improvement by combining infrared and microwave data compared to microwave only. Using these improvements, the generative model produces an ensemble mean on par with that of a deterministic model, while generating a power spectrum significantly closer to that of true observations. To the best of our knowledge, this is the first generative model that interpolates microwave images of cyclones by combining multiple microwave instruments and infrared observations at irregular time intervals.

10.
medRxiv (Medicine) 2026-06-18

Evaluating Deep-Learning Based Quantification of Breast Arterial Calcification on Mammography for Cardiovascular Risk Assessment

Purpose: To develop and evaluate a deep learning model for automated quantification of breast arterial calcification (BAC) on screening mammography and to assess whether AI-derived BAC burden predicts major adverse cardiovascular events (MACE) in women. Methods: In this retrospective study, 202,006 women who underwent screening mammography without history of MACE were included. A BAC segmentation model was trained on an expert-annotated dataset using a multi-task U-Net with a ResNet-18 encoder to detect and segment BAC. BAC burden was quantified as area (mm{superscript 2}) from model-generated masks using DICOM pixel spacing and categorized by tertiles into low, intermediate, and high. The PREVENT score and incident MACE were identified from electronic health records. Cox proportional hazards models were developed to evaluate AI-derived BAC burden and PREVENT score alone, and combined models for 5 - and 10-year cardiovascular risk prediction. Results: Among 202,006 women (mean age 54.8{+/-}11.7 years), 23.1% had AI-detected BAC, and 7,701 (3.8%) developed incident MACE during a median follow - up of 7.5 years. On the geographically held-out test set, the BAC model achieved an AUROC of 0.97, Dice score of 0.6678, and Pearson correlation of 0.961 between AI-derived and manually annotated BAC burden. BAC burden increased with age and was higher among women who developed MACE. Five - year MACE incidence increased across BAC categories from 1.5% in women without BAC to 6.9% in those with high BAC burden. BAC burden alone showed modest prediction of MACE, with 5-year and 10-year AUROCs of 0.661 and 0.650, respectively, while PREVENT achieved AUROCs of 0.781 and 0.771. Adding BAC to PREVENT produced minimal improvement in discrimination. Conclusion: Deep learning-based BAC quantification from routine mammography is feasible, accurate, and associated with future cardiovascular risk. Although BAC added little to PREVENT for overall discrimination, it may serve as a scalable opportunistic imaging biomarker to identify women at elevated cardiovascular risk and support preventive care.

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

Mix-QVLA: Task-Evidence-Aware Mixed-Precision Quantization of Vision-Language-Action Models

We propose Mix-QVLA, a task-evidence-aware mixed-precision PTQ framework for VLA models. Mix-QVLA anchors each quantized variant to the full-precision action-token reference decision and evaluates whether quantization preserves task-relevant evidence across key VLA functional boundaries. It computes normalized gradient-weighted task-evidence maps from boundary activations and compares full-precision and quantized maps using evidence-mass and attribution-distribution distortion, capturing changes in both the strength and allocation of decision-supporting evidence. A soft-bottleneck objective aggregates boundary-level degradation into layer-wise sensitivity scores. Mix-QVLA further models sensitivity throughout task execution, capturing phase-dependent shifts in layer importance rather than assuming a fixed sensitivity profile. The resulting evidence- and time-aware scores guide mixed-precision bit allocation under model-size and BitOps budgets. Extensive evaluations on OpenVLA-style policies show that Mix-QVLA improves the accuracy-efficiency trade-off of low-bit VLA deployment. On LIBERO, Mix-QVLA reduces OpenVLA-OFT memory from 15.4 GB to 4.1 GB, retains 96.3 average success compared with 97.1 for the BF16 model, and achieves a 1.52x inference speedup.

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

Performance Analysis of YOLOv11 and YOLOv8 for Mixed Traffic Object Detection under Adverse Weather Conditions in Developing Countries

In modern vehicular systems, robust performance under harsh conditions has become a critical problem of autonomous driving. Our study delivers a comprehensive evaluation of the newest iteration of the YOLO series, which is YOLOv11 Nano architecture benchmarked against the widely adopted YOLOv8 Nano as a baseline on a custom fused dataset that combines the Indian Driving Dataset (IDD) [1] and Berkeley Deep Drive Dataset (BDD100K) [2]. We have analyzed the trade-offs among detection accuracy, inference speed, and computational efficiency in high-entropy scenarios involving dense mixed traffic, rain, and low-light conditions. Specifically, YOLOv11n achieves a mean Average Precision (mAP@50) of 46.6%, with a notable 3.2% improvement in Precision over the baseline, effectively reducing false positives in cluttered scenes. Furthermore, the proposed model exhibits enhanced energy efficiency, requiring 22% fewer FLOPs (6.3G vs. 8.1G) while maintaining real-time inference speed of 70.9 FPS on a Tesla T4 GPU, offering an optimal trade-off for safety-critical edge deployment.

13.
arXiv (CS.LG) 2026-06-16

Convergence Rate Analysis of the AdamW-style Shampoo: Unifying One-Sided and Two-Sided Preconditioning

arXiv:2601.07326v4 Announce Type: replace-cross Abstract: This paper studies AdamW-style Shampoo, an effective variant of the classical Shampoo that won the external tuning track of the AlgoPerf neural network training competition. Our analysis unifies one-sided and two-sided preconditioning. When the exponents of the two preconditioners sum to $1/2$, we establish the convergence rate $\frac{1}{K}\sum_{k=1}^KE\left[||\nabla f(X_k)||_*\right]\leq O(\frac{\sqrt{m+n}C}{K^{1/4}})$, where $K$ represents the number of iterations, $(m,n)$ denotes the dimensions of the matrix-valued parameters, and $C$ matches the constant appearing in the optimal convergence rate of SGD. Theoretically, the nuclear norm and Frobenius norm satisfy $||\nabla f(X)||_F\leq ||\nabla f(X)||_*\leq \sqrt{\min\{m,n\}}||\nabla f(X)||_F$, which suggests that our convergence rate is analogous to the optimal $\frac{1}{K}\sum_{k=1}^KE\left[||\nabla f(X_k)||_F\right]\leq O(\frac{C}{K^{1/4}})$ convergence rate of SGD in the ideal case where $||\nabla f(X)||_*= \Theta(\sqrt{\min\{m,n\}})||\nabla f(X)||_F$ and $m$ and $n$ are of comparable magnitude. Then, we extend our analysis to settings where the preconditioning exponents do not sum to 1/2, and establish convergence with an explicit but more involved rate.

14.
arXiv (quant-ph) 2026-06-19

Many-body chirality of topological stabilizer states

arXiv:2606.20472v1 Announce Type: new Abstract: A defining feature of chirality is the distinction between a system and its mirror image. Despite extensive experimental observations of chiral phases and theoretical advances, a quantum-information theoretic characterization of chirality based solely on the entanglement structure of many-body quantum states remains elusive. Here, we introduce the notion of many-body chirality by formulating it as an obstruction to transforming a quantum state into its complex conjugate through finite-depth local operations. We rigorously establish many-body chirality for stabilizer realizations of $\mathbb{Z}_d^{(k)}$ anyon theories, proving that complex conjugation can be implemented by local quantum channels if and only if the underlying anyon data are mirror invariant. This reveals forms of chirality that evade conventional diagnostics, including examples with vanishing modular commutator, vanishing chiral central charge, and commuting-projector realizations. We further show that this obstruction is intrinsically four-partite, while invisible to tripartite entanglement structure. Finally, we prove that $\mathbb{Z}_d^{(k)}$ states with $d>2$ possess intrinsic many-body imaginarity: their complex phase structure cannot be removed by finite-depth local unitaries. Remarkably, this includes states that are not many-body chiral.

15.
arXiv (CS.CL) 2026-06-12

S-GBT: Smooth Growth Bound Tensor for Certified Robustness Against Word Substitution Attacks in NLP

Despite recent progress in Natural Language Processing (NLP), models remain vulnerable to word substitution attacks. Most existing defenses focus on first order sensitivity and measure how much the output changes when the input is slightly perturbed. However, they ignore how this sensitivity evolves, which is described by curvature. When gradients vary sharply, models can still fail. This paper introduces the Smooth Growth Bound Tensor (S-GBT), a second order method that bounds the Hessian element-wise, for which we provide formal theoretical proofs on the resulting robustness bounds. A regularization term is added during training to minimize these bounds. This yields tighter certified robustness against word substitution attacks. The change in the output under word substitution is bounded by both a linear term and a quadratic term. S-GBT is derived for two architectures: Long Short-Term Memory (LSTM) and Convolutional Neural Networks (CNN). The method is integrated directly into the training objective. Its effectiveness is evaluated on multiple benchmark datasets. The results show that combining first and second order regularization improves certified robust accuracy by up to 23.4% compared to prior methods, while clean accuracy remains competitive. These findings indicate that controlling both the gradient and its variation is a promising direction for building more robust models.

16.
bioRxiv (Bioinfo) 2026-06-14

Generative design of antigen-specific T-cell receptor sequences with a conditional diffusion model

T cell receptor (TCR)-based immunotherapy holds immense potential for treating cancers and infectious diseases, where highly antigen-specific TCR recognition is crucial for adaptive immunity against tumors and pathogens. Engineering or de novo generation of the complementarity-determining region 3 (CDR3) loops of TCRs using artificial intelligence offers a powerful alternative to designing reactive TCRs rather than laborious experimental screening. However, current in silico approaches are constrained by weak conditional guidance, limited flexibility, and a lack of rigorous functional validation. To address these limitations, we introduce TCRDiff, a generative diffusion framework for designing antigen-specific TCRs conditioned on peptide-MHC (pMHC) targets and germline-encoded variable genes. By leveraging pre-trained knowledge from massive T-cell repertoires and TCR-pMHC recognition data, TCRDiff generates CDR3{beta} sequences with state-of-the-art fidelity to native binding TCRs through a denoising diffusion process. Furthermore, incorporating the interface geometry features generated TCR-pMHC complexes with superior structural plausibility. As a proof of concept, we deployed TCRDiff in a systematic pipeline to design candidate TCRs for immunotherapy. In vitro activation assays validated that TCRDiff-generated TCRs specifically recognize the MAGE-A3 epitope with minimized off-target cross-reactivity. Together, TCRDiff establishes a powerful, validated computational paradigm to accelerate the development of TCR-based immunotherapies.

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

BoRAD: Bootstrap your Own Representations for Multi-class Anomaly Detection

Reconstruction-based anomaly detection is attractive for industrial inspection, but scaling it from category-specific training to a one-for-all setting is challenging. A single model must reconstruct diverse normal appearances without copying abnormal details, which exposes two coupled failure modes: identical shortcut, where anomalies pass through the reconstruction path, and mis-reconstruction, where normal categories are confused with one another. We propose BoRAD, a label-free training framework that treats this as a representation-capacity allocation problem. BoRAD uses a shared learnable prototype bank to impose two complementary regularizers: spatial prototype alignment contracts local within-prototype variation to suppress anomaly copying, while prototype-relative global alignment preserves between-prototype structure and improves sensitivity to abnormal angular deviations. The prototype bank and prediction heads are used only during training; inference remains a standard teacher-student feature discrepancy pass, with no class labels, negative pairs, memory retrieval, or prototype lookup. BoRAD achieves competitive one-for-all anomaly detection performance, including 86.2\% mAD on MVTec AD, 80.7\% mAD on VisA and 73.1\% mAD on Real-IAD. Diagnostic analyses further show reduced anomaly leakage, improved normal-category separability, and stronger anomaly-normal score separation.

18.
medRxiv (Medicine) 2026-06-22

Hyperlipidemia Pharmacotherapy in Skilled Nursing Facilities: A Real-World Evidence Study

Objectives: To estimate hyperlipidemia medication order prevalence and associated variables in U.S. skilled nursing facility (SNF) residents. Design: Retrospective, observational study. Setting and Participants: Electronic Health Record data from 447,080 SNF residents with a hyperlipidemia diagnosis identified in PointClickCare's Life Sciences clinical database (January-April 2025) were reviewed. Methods: The presence and absence of medication orders for hyperlipidemia treatments recommended by the American Heart Association were assessed. Descriptive analyses summarized demographic and clinical characteristics, and a modified Poisson regression model was used to estimate risk ratios for having a medication order, adjusting for demographic, clinical, and facility characteristics. Results: Overall, 83.3% of residents diagnosed with hyperlipidemia had at least one hyperlipidemia medication order. Statins were ordered by 96.2% of active order residents, while other medication classes i.e., omega-3 fatty acids, cholesterol absorption inhibitors, fibrates were less common (

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

MDForge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback

Molecular dynamics (MD) is the canonical in-silico method for atomistic molecular science, simulating molecular behavior from first-principle physics. Designing an MD pipeline for a new system requires substantial expert knowledge: running it on even one molecule is expensive, ruling out trial-and-error. We automate this expert pipeline-design process with an LLM agent. Unlike existing MD agents that orchestrate a predefined tool set, we treat pipeline design as open-ended code generation in which the agent's behavior is reshaped online by verbal reward. Specifically, we build MDForge, an LLM agent whose in-context update rule densifies the sparse reward via a multi-agent debate among physics experts. On three SAMPL host-guest binding free-energy benchmarks, MDForge automatically designs MD pipelines competitive with human experts. Deployed on a library of unseen candidate guests, its CB[7] pipeline discovers a novel binder that wet-lab competition NMR confirms is a high-affinity, picomolar CB[7] binder. Our data and code are available at https://github.com/Zehong-Wang/MDForge.

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

Scaling Limits of Bivariate Nearly-Unstable Hawkes Processes and Applications to Rough Volatility

arXiv:2605.03703v3 Announce Type: replace Abstract: We study a pair of nearly-unstable Hawkes processes coupled through a one-directional, or triangular, cross-excitation: the first component evolves autonomously and excites the second, but not conversely. Each component is self-exciting through a heavy-tailed memory kernel, and the two kernels are allowed to have different tail indices, so that the limiting components exhibit genuinely different degrees of roughness. As the system approaches criticality, we prove that the suitably rescaled intensity vector converges weakly to the unique solution of a coupled system of stochastic Volterra equations of rough-volatility type. The first limiting component is autonomous, while the second is driven both by its own noise and by an inherited noise transmitted from the first component through an effective cross-kernel. This cross-kernel is the convolution of the two limiting Mittag-Leffler kernels and therefore combines the two memory structures. As a consequence, we obtain a short-time cross-decorrelation law: although the two components are coupled, their functional correlation vanishes at small time scales at an explicit polynomial rate. This time-dependent correlation distinguishes the limit from independent rough processes and from classical bivariate rough models with constant Brownian correlation.

21.
arXiv (CS.AI) 2026-06-24

Heterogeneous 2D/1D Signal Representation Fusion for Underwater Acoustic Modulation Recognition Under Distribution Shift

arXiv:2606.23702v1 Announce Type: cross Abstract: Modulation recognition systems rely on heterogeneous signal representations. 2D signal-image modalities such as time-frequency and cyclostationary maps capture structural patterns, while 1D statistical descriptors such as higher-order power spectra encode complementary cues. Under distribution shift, these modalities degrade unevenly, making robust fusion a central challenge for practical deployment. Progress is further limited by the lack of a unified evaluation protocol that systematically separates different shift types. This paper addresses both challenges through a joint benchmark-and-model study in underwater acoustic modulation recognition. UAMR-ShiftBench is the first benchmark to jointly cover in-distribution, low-SNR, unseen-environment, unseen-communication-parameter, and measured sea-trial evaluation under a single matched protocol, with two independent real-world subsets collected during two sea-trial campaigns conducted in March and November in the South China Sea. SCP-TriCA fuses STFT, cyclostationary, and P2/P4 (second- and fourth-order power spectra) modalities hierarchically: the two 2D modalities are first aligned through bidirectional cross-attention, and the 1D statistical modality is then incorporated through a sample-adaptive selective gate. On UAMR-ShiftBench, SCP-TriCA achieves 95.33% in-distribution accuracy and 74.59% simulated OOD average, outperforming the strongest baseline by 5.12 percentage points, and reaches 91.14% and 94.86% on the two sea-trial subsets, exceeding the best baseline by 15.71 and 23.00 percentage points respectively. Ablation results confirm that the gains stem from modality complementarity and the hierarchical fusion design. Code and models are available at https://github.com/ronglaiqian/UAMR-ShiftBench.

22.
arXiv (quant-ph) 2026-06-24

Quantum mechanics over real numbers fully reproduces standard quantum theory

arXiv:2604.19482v3 Announce Type: replace Abstract: Standard quantum mechanics employs complex Hilbert spaces, but whether complex numbers are fundamental or merely convenient has long been debated. For decades, real-valued equivalents were considered mathematically possible but cumbersome. However, a highly cited 2021 result claimed that any quantum theory based on real numbers is experimentally falsifiable via network Bell experiments. Yet, it remains an open question whether this falsification applies to all real-valued theories. Here we show that this conclusion rests on an incomplete real formulation, and we present a rigorous real-valued framework that perfectly reproduces all predictions of standard quantum mechanics. We demonstrate that the standard real tensor product ($\otimes_{\mathbb{R}}$) used in previous no-go theorems is algebraically incompatible with the rich structure of conventional quantum mechanics. We present a real framework based on K\"{a}hler space and prove that it is exactly isomorphic to established quantum mechanics via an explicit bijection $\gamma$. The isomorphism extends to composite systems through a symplectic composition rule $\otimes^{\ks}$ that replaces the Kronecker product. Consequently, our formulation achieves the maximal $\mathrm{CHSH}_{3}$ violation of $6\sqrt{2}$ using purely real variables, demonstrating that the no-go theorem is specific to a particular real representation of states and operators and to the composition rule $\otimes_\mathbb{R}$ built upon it, neither of which extends to the present K\"{a}hler framework. These results demonstrate that complex numbers are not fundamentally required by nature; rather, they encode a deeper real geometric structure that governs quantum interference and entanglement, settling this long debate.

23.
medRxiv (Medicine) 2026-06-19

Performance of family history-based colorectal cancer screening criteria by race and age at diagnosis in the Disparities and Cancer Epidemiology (DANCE) study

Importance: Family history (FH) and age are the primary criteria employed for early colorectal cancer (CRC) risk stratification. We evaluated how well these criteria identify individuals diagnosed with CRC across age and racial groups. Objective: To evaluate the performance of FH and age based screening criteria for identifying individuals with CRC, with attention to differences by race and age at diagnosis. Design, Setting, and Participants: This case control and case only analysis used data from the Disparities and Cancer Epidemiology (DANCE) cohort, a population based study of invasive CRC cases diagnosed from 2013 to 2022, recruited through the Metropolitan Detroit Cancer Surveillance System and the Louisiana Tumor Registry. Analyses included 1,158 non-Hispanic Black (NHB) and non-Hispanic White (NHW) CRC cases and 1,434 cancer-free controls from the Inflammation Health and Lung Epidemiology (INHALE) study, enrolled from the same Detroit catchment area. Data were analyzed in 2025. Exposures: Self reported cancer FH among first-degree (FD) relatives and grandparents, summarized into three FH-based screening criteria: at least one FD relative with CRC (colon early-screening criterion), any FH of Lynch syndrome related cancers, and meeting NCCN criteria for Lynch syndrome genetic testing. Main Outcomes and Measures: Proportion of cases meeting each FH based screening criterion stratified by race and age at diagnosis (

24.
arXiv (CS.AI) 2026-06-17

EAGG: Embodiment-Aligned Grasp Generation via Geometry-Aware Graph Conditioning

arXiv:2606.18092v1 Announce Type: cross Abstract: Cross-end-effector grasp generation seeks a unified model that generalizes across objects and across embodiments ranging from parallel grippers to dexterous end effectors. Existing grasp generators are typically designed for a fixed embodiment or encode embodiment identity with a static descriptor, which weakens transfer when topology, actuation coupling, and contact geometry differ substantially. We present EAGG, an embodiment-aligned grasp generator that represents each embodiment with a topology-aware end-effector graph and an embodiment-specific low-dimensional end-effector control space. A frozen end-effector-cognition backbone converts the current articulated state into geometry-aware tokens that act as a reusable morphology prior, and iterative geometry injection refreshes these tokens throughout sampling so that conditioning remains synchronized with the evolving end-effector geometry. On the MultiGripperGrasp benchmark, EAGG reaches 56.17% average success across six training end effectors, remaining within 1.10 percentage points of specialized training while preserving transfer to finetuning and zero-shot end effectors. Iterative geometry injection further reduces the pooled median contact distance from 0.239 cm to 0.189 cm. These results show that cross-end-effector grasp generation is strengthened by aligning embodiment structure inside a shared generator rather than suppressing embodiment differences. Code is available at https://github.com/wanhaoniu/EAGG.

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arXiv (CS.CL) 2026-06-24

TruncProof: A Guardrail for LLM-based JSON Generation under Token-Length Constraints

The LLM-based generation of machine-readable outputs such as JSON has attracted significant attention for integration with external systems. However, existing approaches cannot strictly enforce the maximum number of tokens to be generated, leading to infinite generation or truncated outputs that cause a system malfunction. To address this limitation, we propose TruncProof, a novel grammar-constrained generation method that enables LLMs to produce grammatically valid JSONs while adhering to a predefined token limit. By leveraging the properties of LL(1) parsers, TruncProof efficiently approximates the minimum number of tokens required to complete a grammatically valid output at each decoding step. Experiments on the Text-to-JSON instruction tasks demonstrate that TruncProof successfully generates syntactically correct outputs even under strict token constraints. Furthermore, we show that TruncProof can be effectively combined with advanced decoding strategies, resulting in outputs that are not only grammatically valid but also semantically accurate.