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01.
arXiv (CS.AI) 2026-06-11

Sparsified Kolmogorov-Arnold Networks for Interpretable Quantum State Tomography

arXiv:2606.11814v1 Announce Type: cross Abstract: Machine-learning approaches to quantum state tomography can achieve high reconstruction fidelity, but the physical structure used by the trained model often remains implicit. Here we ask whether a sparsified Kolmogorov-Arnold Network (KAN) can be used not only as a regressor, but also as an inspectable reconstruction rule whose internal organization can be checked against known Pauli structure. We study a controlled three-qubit GHZ-family benchmark in which all 63 non-identity Pauli expectation values are used to reconstruct three GHZ-subspace variables: the population imbalance $z$, the real off-diagonal component $c$, and the imaginary off-diagonal component $s$. Under finite-shot sampling and depolarizing noise, external ablation identifies the extended 12-channel GHZ-relevant Pauli set from the 63 measurements, with exact top-12 recovery across the tested shot counts and depolarizing-noise strengths. These support patterns remain stable across multi-seed random-initialization and noise-level analyses, and collapse under random-label controls. The dominant pruned input-hidden-output pathways organize Z-type population observables and X/Y off-diagonal observables in a pattern consistent with the analytic GHZ Pauli grouping, and sparse formula recovery recovers the canonical signed Pauli relations. The contribution of the KAN is therefore pathway-level structural interpretability within a neural reconstruction model, rather than superior sparse regression. Together with negative controls, these probes provide a consistency chain for auditing learned reconstruction rules against known physical structure.

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

An Explainable AI Assistant for Introductory Programming Education: Improving Feedback Reliability with Instructor-AI Collaboration

arXiv:2606.12425v1 Announce Type: cross Abstract: Active learning is widely recognized as an effective approach for improving learning outcomes in introductory programming courses. However, insufficient instructional support often limits students' access to timely, personalized feedback, which is crucial for mastering foundational programming concepts. Although recent advances in AI, particularly large language models, offer scalable opportunities for feedback, concerns about explainability and reliability remain. In this paper, we present an AI-driven classroom assistant that leverages an explainable AI model to analyze student code, map logical errors to instructor-identified misconceptions, and deliver instructor-authored feedback, thereby grounding reliability in instructor-defined pedagogical knowledge. To evaluate the effectiveness of our framework, we conducted an expert evaluation to examine its alignment with instructor-verified feedback and deployed the system in a classroom setting to assess students' perceptions of its usability. Results indicate that the assistant can provide accurate, instructor-verified feedback to students while fostering a positive experience.

03.
arXiv (CS.AI) 2026-06-16

Binary Tracking for Spatial QA and Navigation with Open Vision-Language Models

arXiv:2606.16902v1 Announce Type: cross Abstract: This work addresses spatial question answering for service robots traversing long egocentric routes. Given a query such as "where can I find a dry cleaner on the way back home?", the system returns a metric coordinate that downstream navigation components can act on. Prior Spatial Question Answering approaches leverage retrieval-augmented agents built on closed-source models such as GPT-4o for path exploration. However, robots operating in the real world often cannot reliably depend on online closed-source models due to network instability, communication latency, and deployment cost. It creates a need for open-source based Spatial Question Answering approaches that can run onboard the robot, yet prior research in this direction remains limited. This work proposes BinTrack, a simple yet effective, fully open-source spatial-localization agent that leverages the temporal ordering of a robot's trajectory. BinTrack performs a binary search over the trajectory segments between two anchor landmarks identified from a query. It improves overall accuracy by up to 22.8% over other open-source implementations and even matches the reported closed-source model result on the global category of the SpaceLocQA benchmark, the most challenging setting that has so far required strong reasoning agents such as GPT-4o. Furthermore, its optimized inference strategy consistently yields more than a 1.5x inference speedup over previous approaches. Finally, this work releases GangnamLoop, a novel and practical multi-trip outdoor benchmark collected by deploying a real quadruped robot on public streets with the anonymization policy. It revisits the same locations under different outdoor conditions and pairs the robot's low viewpoint with the human owner's. The source codes and datasets are publicly available at https://github.com/ndb796/BinaryTracking

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

Differentiable Packing of Irregular 3D Objects with Adaptive Container Estimation

Most existing approaches either fix the container in advance or optimize only a single container dimension through an outer search loop, leaving the remaining dimensions as a manual tuning problem. We present a differentiable packing framework that jointly optimizes all 6N object pose parameters and all three container side lengths inside a single gradient-based loop. The formulation combines six physics-inspired, differentiable loss terms computed directly on triangle meshes through axis-aligned bounding-box proxies. An adaptive squeezing mechanism periodically tightens the container whenever the overlap loss falls below a pair-count-scaled threshold, producing a large initial drop in container volume, followed by small refinements. All pairwise computations are written in tensor-broadcasting form, giving a 3.4 to 54 times speedup over a reference loop-based implementation. The pipeline is implemented in Python and PyTorch, with no physics engine, FFT library, or convex decomposition. On multiple object categories, the method produces containers that are 11 to 32 percent smaller than time-matched DBLF and simulated-annealing baselines at N =100, while running in under 4 minutes per instance on a single consumer GPU.

05.
arXiv (CS.CV) 2026-06-15

CaricHarmony: Contrastive Diffusion Paths for Identity-Preserving Caricature Synthesis

Sketch-based caricature synthesis suffers from a fundamental failure mode: when identity and shape conditions are combined in diffusion models, they create destructive interference that causes inevitable collapse toward either bland portraits or unrecognizable distortions. We identify the root cause as condition signal contamination – competing probability distributions in the denoising trajectory that make balanced generation impossible. We present CaricHarmony, the first training-free method that explicitly resolves this contamination through parallel uncontaminated diffusion paths. During inference, we maintain three paths: $\mathcal{P}^{\mathrm{i}}$ (pure identity), $\mathcal{P}^{\mathrm{s}}$ (pure shape), and $\mathcal{P}^{\mathrm{i+s}}$ (harmonized output). Novel energy functions operating on cross-attention features provide gradient guidance that steers $\mathcal{P}^{\mathrm{i+s}}$ toward optimal balance: $\mathcal{E}_{\mathrm{shape}}$ ensures sketch fidelity through layout and semantic alignment, while $\mathcal{E}_{\mathrm{id}}$ employs token-level correspondence matching robust to extreme distortions. Unlike DemoCaricature requiring 70 seconds per-identity fine-tuning or CaricatureBooth constrained to Bezier curves, CaricHarmony accepts any sketch format and generates in under 16 seconds. Experiments demonstrate state-of-the-art performance: 0.8615 shape CLIP score (vs. 0.8450) under comparable identity consistency score, with 7.81 overall user preference score (vs. 6.06). Our method fundamentally reconceptualizes the ID-shape conflict as conditioning signal contamination for diffusion models, enabling unprecedented creative control while preserving recognition.

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

Battery detection of XRay images using transfer learning

The need for detecting and sorting batteries is drastically increasing for many applications. This study proves the potential of transfer learning in predicting whether the image contains a battery or not, the location and identifying three types of batteries, namely: prismatic, pouch, and cylindrical Lithium-Ion Batteries (LIB). Particularly, it focuses on the transfer learning method in two applications: Training a large-scale dataset to detect electronic devices using a pre-trained YOLOv5m, then using these latter trained weights to detect and classify the batteries. The precision of battery detection achieves 94%, which outperforms the pretrained YOLOv5m weights with 5%, in 22 ms inference time.

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

Measuring language complexity from hierarchical reuse of recurring patterns

We introduce the ladderpath index as a measure of language complexity grounded in algorithmic information theory. It counts the minimum steps needed to reconstruct a sequence through hierarchical reuse of repeated substructures, capturing an exactly computable but constrained form of algorithmic compressibility related to, but distinct from, Kolmogorov complexity. We apply the ladderpath approach to 21 parallel corpora from the Parallel Universal Dependencies dataset. The ladderpath index is approximately invariant across the languages, and varies much less than the corpus length. This is more pronounced when all corpora are mapped to a unified binary representation, providing evidence for the equi-complexity hypothesis from a representation-independent perspective. We also observe trade-offs between character inventory size and corpus length, and between vocabulary-level and corpus-level reconstruction complexity, supporting the trade-off hypothesis that total complexity is conserved and redistributed across linguistic levels. The reusable substructures identified by the ladderpath approach, without any linguistic input, overlap with words and morphological components attested in the natural vocabulary. The hierarchical reuse captured by the ladderpath approach parallels the chunking mechanisms proposed in cognitive science, where the human cognitive system compresses linguistic input into nested, reusable units under shared memory and processing constraints. This connection between cognitive chunking and the ladderpath approach provides a new interpretation for the equi-complexity and trade-off hypotheses, grounding both in the shared cognitive architecture that underlies language processing across human languages.

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

Convex Approximation of Two-Layer ReLU Networks for Hidden State Differential Privacy

arXiv:2407.04884v4 Announce Type: replace Abstract: The hidden state threat model of differential privacy (DP) assumes that the adversary has access only to the final trained machine learning (ML) model, without seeing intermediate states during training. However, the current privacy analyses under this model are restricted to convex optimization problems, reducing their applicability to multi-layer neural networks, which are essential in modern deep learning applications. Notably, the most successful applications of the hidden state privacy analyses in classification tasks have only been for logistic regression models. We demonstrate that it is possible to privately train convex problems with privacy-utility trade-offs comparable to those of 2-layer ReLU networks trained with DP stochastic gradient descent (DP-SGD). This is achieved through a stochastic approximation of a dual formulation of the ReLU minimization problem, resulting in a strongly convex problem. This enables the use of existing hidden state privacy analyses and provides accurate privacy bounds also for the noisy cyclic mini-batch gradient descent (NoisyCGD) method with fixed disjoint mini-batches. Empirical results on benchmark classification tasks demonstrate that NoisyCGD can achieve privacy-utility trade-offs on par with DP-SGD applied to 2-layer ReLU networks.

09.
arXiv (math.PR) 2026-06-15

Upper tails for irregular graphs beyond the mean-field regime

arXiv:2606.14564v1 Announce Type: new Abstract: Let $G_{n,p}$ be the binomial random graph of density $p$ and let $X_H$ be the number of copies of a fixed graph $H$ in $G_{n,p}$. We prove asymptotically tight bounds on the logarithmic upper-tail probability of $X_H$ whenever $H$ is a connected, irregular graph with maximum degree $\Delta \ge 2$ and $p \ge n^{-1/\Delta - \varepsilon_H} (\log n)^{\omega(1)}$ for an explicit $\varepsilon_H >0$. These bounds are expressed in terms of a new variational problem that generalises the combinatorial optimisation problem arising from the naïve mean-field approximation. This new variational problem includes an entropy term that corresponds to the large number of embeddings of certain highly structured graphs in $K_n$. For a certain class of irregular graphs $H$ that we call stable, we show that this description of the upper-tail probability is valid in a range of densities that is optimal up to a poly($\log\log n$) factor. For a further subclass of stable graphs, which includes all irregular complete bipartite graphs, we show that this range of densities is optimal up to a multiplicative constant.

10.
arXiv (CS.AI) 2026-06-11

Forecasting Future Behavior as a Learning Task

arXiv:2606.11445v1 Announce Type: new Abstract: Trust in an AI system is often anchored by explanations of how it works, which one then uses to forecast its behavior on new inputs. For large reasoning models (LRMs), this conventional route is particularly difficult to follow: explanation methods for single token generations do not naturally generalize to long trajectories, and the trajectories themselves are often not faithful when read as natural language. We propose an alternative that bypasses the explanation step: treat behavior forecasting as a learnable task and train Behavior Forecasters that operates on a single reasoning trajectory to make the same forecasts one would typically seek from an explanation. The forecaster's training data is obtained by querying the LRM with no human annotation, and its inference is done in a single forward pass. We instantiate this approach on two tasks: how likely the LRM is to repeat its answer on re-runs, and how removing parts of the input changes its answer. We evaluate this approach on both tasks across three diverse reasoning datasets and find that trained Behavior Forecasters are more accurate than GPT-5.4 and Claude Opus-4.6 reading the same trajectories as naive readers, at a small fraction of their inference cost. We find that fine-tuning the backbone end-to-end and initializing it from the target LRM are each necessary for strong performance. These results show that the reasoning trajectory carries information about the LRM's future behavior that goes beyond what naive reading conveys.

11.
arXiv (CS.LG) 2026-06-17

From Theory to Application: A Practical Introduction to Neural Operators in Scientific Computing

arXiv:2503.05598v2 Announce Type: replace-cross Abstract: This review examines neural operator architectures for learning solution operators of parametric partial differential equations (PDEs), with an emphasis on conceptual clarity and practical implementation. The work analyzes key models, including DeepONet, PCANet, and the Fourier Neural Operator, highlighting their underlying representations, computational structures, and comparative performance. These architectures are demonstrated on three canonical PDE problems: the Poisson equation, a linear elasticity problem, and a hyperelasticity problem. To make the presentation self-contained, key foundational topics are introduced, including finite-dimensional representations of function spaces, singular-value decomposition, and sampling from infinite-dimensional function spaces. Beyond forward modeling, the review discusses the use of neural operators as surrogate models within a Bayesian inverse-problem framework, including prior specification, forward-map approximation, and posterior computation. The performance of the three neural-operator architectures is evaluated on in-distribution samples, out-of-distribution samples, and Bayesian inference tasks. The review also discusses challenges related to prediction accuracy and generalization, outlining emerging strategies such as residual-based error correction and multi-level training. The review concludes by positioning neural operators within broader scientific-computing workflows and by identifying directions for reliable, scalable operator learning.

12.
medRxiv (Medicine) 2026-06-15

ECHOCARDIOGRAPHY ABNORMALITIES IN PREECLAMPSIA WITH SEVERE FEATURES.

Purpose To determine the frequency of echocardiographic abnormalities in women with preeclampsia with severe features. To describe the spectrum and types of echocardiographic abnormalities associated with preeclampsia with severe features. Method This is a Prospective observational study conducted in Vani Vilas hospital attached to Bangalore Medical College and Research Institute, Bangalore from January 2023 to December 2025. 560 pregnant women diagnosed with severe preeclampsia(SPE) were included in the study. Chronic hypertension without superimposed preeclampsia, underlying cardiac diseases and previous history of peripartum cardiomyopathy were excluded from the study. Transthoracic echocardiography-TTE (2D ECHO) was done to evaluate cardiac structure and function. Echocardiographic abnormalities identified during the study were documented and analysed using descriptive statistical methods. Results Abnormalities in ECHO was noted in 23.03%. A unique finding was the documentation of elevated pulmonary artery systolic pressures (PASP) suggestive of Pulmonary Hypertension (PH) (PASP >35 mm HG) among 20.25% of the participants. It was also the commonest abnormality on ECHO. Mild PH was the commonest (15.71%), moderate PH was seen in 3.92% and severe PH in 0.71% of cases. Next most frequent abnormality was moderate to severe valvular regurgitation (10%), followed by left ventricular hypertrophy (5.53%). Diastolic dysfunction (DD) was seen in 3.92%, systolic dysfunction(SD) in 3.57%, chamber dilatation in 3.57% and LV global hypokinesia in 3.03% cases of SPE Conclusion Preeclampsia with severe features (SPE) is associated with 23.03% abnormalities on echocardiography. SPE is associated with systolic dysfunction, diastolic dysfunction, chamber dilatation, valvular regurgitation, left ventricular hypertrophy and pulmonary hypertension.

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

Robust Neural Tucker Factorization with Bias Correction and Adaptive Initialization

arXiv:2606.16388v1 Announce Type: new Abstract: High-dimensional incomplete (HDI) tensors are widely used in traffic and climate applications, but sparse observations make accurate completion difficult. The intrinsic non-linear dynamics and non-stationary variations across distinct multi-modal fields severely hinder the efficacy of conventional linear reconstruction frameworks. Neural Tucker factorization provides an effective framework for modeling high-order interactions among tensor modes. By parameterizing underlying structural characteristics into continuous latent spaces, neural representations circumvent the rigid low-rank constraints of classical algebra. However, its performance can still be affected by implementation-level choices, especially parameter initialization and the bias configuration of the final output mapping. Suboptimal initializations frequently lead to variance explosion across the cubically expanded interaction spaces, driving the subsequent non-linear activation boundaries into severe gradient saturation zones, while the omission of a dedicated translation parameter forces interaction weights to implicitly absorb global statistical deviations. This paper proposes a simple yet effective neural Tucker factorization model with Kaiming initialization and bias correction (KaBiN) for HDI tensor completion. The proposed model utilizes Kaiming uniform initialization for the embedding and Tucker linear parameters, and adopts a simple bias correction in output mapping. By elegantly decoupling global mean shifts from local structural representations, the framework provides a highly stable and well-conditioned optimization landscape. Experiments on three real-world HDI tensor datasets show that KaBiN achieves better performance than the original NeuTucF, while introducing minimal computational overhead.

14.
arXiv (CS.CL) 2026-06-16

Bridging Passive and Active: Enhancing Conversation Starter Recommendation via Active Expression Modeling

Large Language Model (LLM)-driven conversational search is shifting information retrieval from reactive keyword matching to proactive, open-ended dialogues. In this context, Conversation Starters are widely deployed to provide personalized query recommendations that help users initiate dialogues. Conventionally, recommending these starters relies on a closed "exposure-click" loop. Yet, this feedback loop mechanism traps the system in an echo chamber where, compounded by data sparsity, it fails to capture the dynamic nature of conversational search intents shaped by the open world. As a result, the system skews towards popular but generic suggestions. In this work, we uncover an untapped paradigm shift to shatter this harmful feedback loop: harnessing user "free will" through active user expressions. Unlike traditional recommendations, conversational search empowers users to bypass menus entirely through manually typed queries. The open-world intents in active queries hold the key to breaking this loop. However, incorporating them is non-trivial: (1) there exists an inherent distribution shift between active queries and formulated starters. (2) Furthermore, the "non-ID-able" nature of open text renders traditional item-based popularity statistics ineffective for large-scale industrial streaming training. To this end, we propose Passive-Active Bridge (PA-Bridge), a novel framework that employs an adversarial distribution aligner to bridge the distributional gap between passively recommended starters and active expressions. Moreover, we introduce a semantic discretizer to enable the deployment of popularity debiasing algorithms. Online A/B tests on our platform, demonstrate that PA-Bridge significantly boosts the Feature Penetration Rate by 0.54% and User Active Days by 0.04%.

15.
arXiv (quant-ph) 2026-06-16

Hyperinvariant Spin Network States – An AdS/CFT Model from First Principles

arXiv:2510.06602v2 Announce Type: replace Abstract: We study the existence and limitations of hyperinvariant tensor networks incorporating a local SU(2) symmetry. As discrete implementations of the anti de-Sitter/conformal field theory (AdS/CFT) correspondence, such networks have created bridges between the fields of quantum information theory and quantum gravity. Adding SU(2) symmetry to the tensor network allows a direct connection to spin network states, a basis of the kinematic Hilbert space of loop quantum gravity (LQG). We consider a particular situation where the states can be interpreted as kinematic quantum states for three-dimensional quantum gravity. We show that important aspects of the AdS/CFT correspondence are realized in certain quantum states of the gravitational field in LQG, thus justifying, from first principles, a class of models introduced by [F. Pastawski et al., JHEP 06, 149 (2015)]. We provide examples of hyperinvariant tensor networks, but also prove constraints on their existence in the form of no-go theorems that exclude absolutely maximally entangled states as well as general holographic codes from local SU(2)-invariance. We calculate surface areas as expectation values of the LQG area operator and discuss further possible constraints as a consequence of a decay of correlations on the boundary.

16.
PLOS Computational Biology 2026-06-05

StPedf: Cell trajectory inference of spatial transcriptomics via spatial proximity embedding and spatial density-adaptive fusion

作者:

by Yuan Zhang, Ziyan Sun, Zhixin Shi, Mengdi Nan, Yuhan Fu, Qing Ren, Jie Gao Spatial transcriptomics is transforming our multidimensional understanding of cellular spatial organization and its functional mechanisms in processes such as development and disease by systematically resolving the spatial heterogeneity of gene expression within tissues. To delve deeper into the dynamic processes underlying spatial expression patterns, spatial trajectory inference integrates genetic and spatial information to reconstruct the spatial developmental trajectories of cells within tissues. This approach reveals the patterns of differentiation and dynamic changes as cellular states evolve continuously along spatial axes. However, existing methods often struggle to uniformly model the complex, nonlinear interactions between high-dimensional gene expression and spatial coordinates. Here, we introduce StPedf, whose core lies in employing a neural network with a masking mechanism to capture complex nonlinear interactions between high-dimensional genes and spatial positions. It further leverages spatial proximity information as a guiding cue, dynamically and adaptively adjusting the embedding of gene and spatial information and the weighting of spatial proximity information based on spatial density. This enables trajectory inference guided by spatial information. This enables optimal transport to derive intercellular transition matrices, reconstruct cellular differentiation trajectories, and construct pseudo-spatiotemporal maps. StPedf demonstrates superior performance over existing methods on five structurally distinct simulated datasets. Using StPedf, we successfully mapped distinct lineages in the spatial trajectories of telencephalon regeneration in the Ambystoma mexicanum, multiple malignant lineages expanding within primary tumors, and developmental spatial trajectories and pseudo-spatiotemporal maps in human dorsolateral prefrontal cortex (DLPFC). StPedf significantly enhances the accuracy and interpretability of spatial trajectory inference, providing critical technical support for revealing the dynamic patterns of cellular fate transitions within tissue microenvironments.

17.
arXiv (CS.CL) 2026-06-16

ROMPAR: Morphological Completion and Demographic Unlearning for Romanian-Accented Speech Recognition

Automated transcription of parliamentary proceedings faces significant hurdles due to demographic bias, dialectal variation, and technical artifacts such as utterance truncation during segmentation. This paper introduces the ROManian PARliamentary Speech Corpus (ROMPAR) dataset, a 17.80-hour corpus of Romanian and Moldavian parliamentary speech, featuring double-annotated ground truth and explicit labels for reconstructed word fragments. To build a robust ASR system, we propose a multi-task adversarial training framework that enforces demographic invariance across age, gender, and dialect. We address the inherent instability of adversarial objectives in generative architectures by introducing an exponential decay mechanism for the adversarial coefficients. Furthermore, we implement an LLM-guided decoding strategy with position-dependent weighting to facilitate morphological completion of truncated terminal words. Our results demonstrate that the proposed framework significantly reduces WER and achieves an F1-score of 96.6% in morphological reconstruction.

18.
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?

19.
arXiv (CS.LG) 2026-06-16

FlowRL: A Taxonomy and Modular Framework for Reinforcement Learning with Diffusion Policies

arXiv:2603.27450v2 Announce Type: replace Abstract: Thanks to their remarkable flexibility, diffusion models and flow models have emerged as promising candidates for policy representation. However, efficient reinforcement learning (RL) upon these policies remains a challenge due to the lack of explicit log-probabilities for vanilla policy gradient estimators. While numerous attempts have been proposed to address this, the field lacks a unified perspective to reconcile these seemingly disparate methods, thus hampering ongoing development. In this paper, we bridge this gap by introducing a comprehensive taxonomy for RL algorithms with diffusion/flow policies. To support reproducibility and agile prototyping, we introduce a modular, JAX-based open-source codebase that leverages JIT-compilation for high-throughput training. Finally, we provide systematic and standardized benchmarks across Gym-Locomotion, DeepMind Control Suite, and IsaacLab, offering a rigorous side-by-side comparison of diffusion-based methods and guidance for practitioners to choose proper algorithms based on the application. Our work establishes a clear foundation for understanding and algorithm design, a high-efficiency toolkit for future research in the field, and an algorithmic guideline for practitioners in generative models and robotics. Our code is available at https://github.com/typoverflow/flow-rl.

20.
arXiv (math.PR) 2026-06-17

Time and Killed Resolvents in Reflected Optimal Stopping with a Max Payoff

arXiv:2606.18214v1 Announce Type: cross Abstract: We study infinite-horizon optimal stopping for normally reflected two-dimensional diffusions in the positive quadrant with max payoff \(G(x_1,x_2)=x_1\vee\alpha x_2\). The non-smooth payoff produces a singular stopping-gain measure on the kink set \(\Delta=\{x_1=\alpha x_2\}\). We prove $\displaystyle \Gamma^\Delta(dx) = -\frac{n^\top a(x)n}{2\sqrt{1+\alpha^2}}\,\sigma_\Delta(dx)$, with $n=(1,-\alpha)$, so the diagonal component is non-positive and strictly negative under local ellipticity. This implies that every interior kink point lies in the continuation region. We further show that the correct value representation uses the resolvent killed at first entry into the stopping set, $\displaystyle V=G-R_r^{\mathcal C}\Gamma$, and give a closed-form reflected Brownian counter-example showing that the unrestricted reflected resolvent is generally wrong. A reflected Brownian benchmark and numerical experiments illustrate the local-time, resolvent-gap, and diagonal-avoidance mechanisms.

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

Multi-Scale Separable Fourier Neural Networks for Solving High-Frequency PDEs

arXiv:2605.31027v2 Announce Type: replace Abstract: We propose a novel neural network architecture, termed Multi-Scale Separable Fourier Neural Networks (MS-SFNN), for the accurate and efficient solution of linear and nonlinear high-frequency partial differential equations (PDEs). MS-SFNN exploits a separable representation: given a $d$-dimensional input, it employs $d$ independent subnetworks – each acting on a single coordinate – and constructs basis functions via element-wise multiplication of their outputs. The PDE solution is approximated as a linear combination of these basis functions, with coefficients determined by least squares. Critically, all network weights and biases are randomly initialized once, from a uniform distribution with unit variance, and remain fixed thereafter. To enhance expressivity, a tunable scaling factor is introduced in each subnetwork to modulate the frequency content of the resulting basis functions. Fourier features are explicitly embedded through cosine activations, endowing the method with strong spectral approximation capabilities. To mitigate the memory bottleneck associated with dense collocation in high-frequency or three-dimensional problems, we replace automatic differentiation with analytically derived basis function derivatives and develop a memory-efficient batched QR decomposition algorithm for solving large-scale least-squares systems. Numerical experiments demonstrate that MS-SFNN achieves unprecedented accuracy across a range of challenging PDEs, significantly outperforming state-of-the-art methods such as Physics-Informed Neural Networks (PINN) and Separated-Variable Spectral Neural Networks (SV-SNN).

22.
arXiv (quant-ph) 2026-06-16

Adiabatic preparation of a fractional quantum Hall fluid by coherently pumping atoms from a Bose-Einstein condensate

arXiv:2606.15951v1 Announce Type: cross Abstract: We propose a protocol to adiabatically prepare a many-particle fractional quantum Hall fluid of bosonic ultracold atoms exploiting a time-dependent coherent coupling of a strongly interacting atomic state with a large dilute Bose-Einstein condensate. Starting from an empty cloud, atoms with well-defined angular momentum are coherently pumped into the fluid by Raman beams with a Laguerre-Gauss profile. Compared to number-conserving schemes which rely on finite-size-induced topological gaps, we identify an adiabatic path in the Fock space which avoids crossing topological phase transitions and thus maintains a sizable adiabatic gap open at all times. The efficiency of our preparation protocol is numerically assessed for typical experimental parameters up to particle numbers that largely exceed the experimental state-of-the-art. The crucial advantage of including an anharmonic confinement is finally highlighted.

23.
bioRxiv (Bioinfo) 2026-06-11

AGZArank: Investigating epitope-conditioned antibody binder ranking with structure-derived synthetic supervision

Computational antibody design methods can generate large libraries of candidate binders for a target epitope, but prioritizing which candidates to test experimentally remains a major bottleneck. Existing scoring approaches, including physics-based affinity estimators, structure-prediction-derived confidence measures, and inverse-folding likelihood models, provide useful proxy signals but are not explicitly optimized for early enrichment of binders among many structurally similar candidates. Here we investigate epitope-conditioned antibody binder ranking as a dedicated learning problem and introduce AGZArank, a geometric deep learning framework trained with structure-derived synthetic supervision based on normalized pseudo-energy targets. On a benchmark of 45 experimentally validated antibody-antigen interfaces, AGZArank recovered the true binder within the top ten candidates in 44.4% of cases and showed stronger generalization on post-2021 structures than ProteinMPNN, ESM-IF, and PRODIGY. Ablation experiments indicate that ranking performance depends primarily on training scale and alignment between the optimization objective and retrieval-based evaluation, rather than architectural complexity alone. These results support candidate prioritization as a distinct and tractable problem in computational antibody design.

24.
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.

25.
arXiv (quant-ph) 2026-06-19

Transfer-matrix functions for algebraically decaying interactions in variational infinite matrix product states

作者:

arXiv:2606.20522v1 Announce Type: cross Abstract: Variational infinite matrix product state (iMPS) calculations usually make Hamiltonians with algebraically decaying interactions compatible with standard MPO algorithms by first replacing the target Hamiltonian with a finite-pole sum-of-exponentials surrogate, thereby introducing a Hamiltonian-representation residual. We formulate the fixed-$D$ variational energy without introducing such a surrogate. For a fixed finite-$D$ MPS, the algebraic tail can be summed directly through the connected transfer matrix: the tail $e^{\mathrm{i} Qr}/r^\alpha$ is represented by the matrix function $F_{\alpha,Q}(\widetilde{T}_A)$, with $F_{\alpha,Q}(z)=\operatorname{Li}_\alpha(e^{\mathrm{i} Q}\,z)/z$. We evaluate the resulting matrix-function action using a Krylov method and obtain stable gradients by combining a Fréchet adjoint with implicit fixed-point differentiation. Benchmarks on long-range free fermions and the inverse-square Heisenberg family, including the Haldane–Shastry point, validate the transfer-matrix-function formulation. A long-range Ising-chain calculation illustrates a practical consequence of avoiding a finite-pole Hamiltonian representation. At a fixed, independently known critical field, finite-pole surrogate Hamiltonians can bias a critical diagnostic away from criticality, whereas the matrix-function calculation retains the expected critical signatures of the target algebraic Hamiltonian.