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

TeleMorpher: Toward Robust Simultaneous Motion-Location Editing

arXiv:2606.19676v1 Announce Type: cross Abstract: Diffusion models have achieved remarkable success in image and video generation and editing. While recent studies have extended these efforts toward motion editing, simultaneously transforming both motion and location-despite its practical importance-remains largely unexplored. To better understand robust motion-location editing, we first analyze the fundamental factors that degrade its quality. Based on this analysis, we propose TeleMorpher, one of the first one-shot frameworks to the best of our knowledge, for simultaneous motion-location editing. Our approach leverages motion priors, a target motion-centric video generated from an off-the-shelf model as motion-editing guidance, and the ground truth motion to enable more controllable and precise motion-location editing. Via this, our framework works as follows: (1) we first disentangle the protagonist and the background via pre-trained segmentation and inpainting models. (2) Then, we introduce a training-free pose warping that edits the protagonist's motion with the motion prior as the guidance. (3) The result of warped motion video is directly injected into a baseline motion editor during inference, mitigating the difference between source and target motions while preserving the appearance of the source video. (4) To enhance the reliability of quantitative evaluations, we propose two new LPIPS-based metrics that measure the background consistency before and after the motion editing and the fidelity of motion editing performance via measuring the difference between the extracted protagonist's skeletons from source and target videos. Experiments with in-the-wild videos and the TaiChi dataset demonstrate that TeleMorpher achieves superior performance across both quantitative and qualitative measurements (real-human evaluation), underscoring its effectiveness.

02.
Nature Medicine 2026-06-11

Microglia at a key inflection point in Alzheimer’s disease

作者: 未知作者

We analyzed brains from octogenarians and cognitively resilient centenarians to understand why some individuals with substantial Alzheimer’s disease pathology develop dementia whereas others remain cognitively intact. Spatial transcriptomics revealed gene expression changes in discrete tissue domains surrounding amyloid plaques and tau pathology that distinguish early, clinically silent, disease from later stages associated with cognitive decline.

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

Transposition Approach to Optimal Control of McKean-Vlasov SPDEs

arXiv:2603.06245v2 Announce Type: replace Abstract: In this paper, we investigate an optimal control problem for McKean-Vlasov stochastic partial differential equations, in which the coefficients depend on the law of the state process. For systems with nonconvex control sets, we establish a Pontryagin-type stochastic maximum principle that provides necessary optimality conditions for admissible controls. The analysis is based on the classical spike variation method together with the introduction of an adjoint backward stochastic partial differential equation involving Lions derivatives with respect to probability measures. Our results extend the stochastic maximum principle for McKean-Vlasov controlled stochastic differential equations to the infinite-dimensional SPDE setting.

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

VIMPO: Value-Implicit Policy Optimization for LLMs

arXiv:2606.20008v1 Announce Type: new Abstract: Reinforcement learning with verifiable rewards has become a central tool for improving the reasoning ability of large language models, but current methods face a trade-off between simplicity and credit assignment. Group-relative methods such as GRPO avoid training a critic, but typically assign a trajectory-level advantage to every token. Actor-critic methods provide denser learning signals, but require a learned value function with its own training instability. We introduce VIMPO, a critic-free policy optimization method that derives a policy-implied value function from the optimality conditions of KL-regularized reinforcement learning. For autoregressive generation, the resulting value recurrence can be written in terms of policy-reference log-ratios and anchored by the terminal condition that no future reward remains at the end of a trajectory. This gives a simple value loss that incorporates outcome-level verifiable rewards without training a critic. The same derivation also yields a critic-free actor advantage, allowing VIMPO to separate reward incorporation through the value loss from policy improvement through a PPO-style actor update. On mathematical RLVR benchmarks, VIMPO improves over GRPO across MATH-500, AIME 2024, AIME 2025, and OlympiadBench, with especially larger gains on competition-style evaluations. Under noisy rewards, VIMPO retains a consistent advantage over GRPO, suggesting that policy-implied value optimization can provide finer credit assignment while preserving the practical simplicity of critic-free training.

05.
arXiv (quant-ph) 2026-06-12

Coulomb crystallization of xenon highly charged ions in a laser-cooled Ca+ matrix

arXiv:2512.12266v2 Announce Type: replace-cross Abstract: We report on the sympathetic cooling and Coulomb crystallization of xenon highly charged ions (HCIs) with laser-cooled Ca$^+$ ions. The HCIs are produced in a compact electron beam ion trap, then charge selected, decelerated, and finally injected into a cryogenic linear Paul trap. There, they are captured into $^{40}$Ca$^+$ Coulomb crystals, and co-crystallized within them, causing dark voids in their fluorescence images. Fine control over the number of trapped ions and HCIs allows us to realize mixed-species crystals with arbitrary ordering patterns. By investigating Xe$^{q+}$–Ca$^+$ strings, we confirm the HCI charge states, measure their lifetime and characterize the mixed-species motional modes. Our system effectively combines the established quantum control toolbox for Ca$^+$ with the rich set of atomic properties of Xe highly charged ions, providing a resourceful platform for optical frequency metrology, searches for signatures of new physics, and quantum information science.

08.
medRxiv (Medicine) 2026-06-11

Dissecting the functional landscape of rare diseases through genomic variation in a heterogeneous cohort of 11,000 patients

Rare diseases (RDs) remain a major diagnostic challenge. Genetic and phenotypic heterogeneity, incomplete knowledge of disease mechanisms, and limitations in variant clinical interpretation leave many patients without a molecular diagnosis. Meanwhile, the growing volume of genomic data generated in clinical practice offers an opportunity to develop data-driven methodologies for exploring disease mechanisms and improving the reanalysis of unsolved cases. We aggregated real-world genomic data from 11,084 unrelated patients with suspected RD. Patients were clinically classified into 122 diseases. We built a multi-disease genomic variant frequency database (FJD-DB), which enabled the development of variant and gene-disease association scores by means of case-control subcohort comparisons across 32 disease groups. Functional enrichment analyses were then used to highlight disease-associated protein domains, pathways, biological processes, and phenotypes. Finally, the resulting knowledge was integrated into a data-driven framework for the guided reanalysis of unsolved RD patients applied to Inherited Retinal Dystrophies (IRD) patients as first use case. FJD-DB contained more than 45 million unique variants, including ~185,000 potentially pathogenic variants. Disease-specific analyses identified disease-associated pathogenic variants and highlighted both established and candidate disease genes. We detected 179 significantly enriched protein domains across 23 diseases, 124 Human Phenotype Ontology terms across 13 diseases, 79 Reactome pathways across 10 diseases, and 72 Gene Ontology biological processes across 8 diseases, revealing highly disease-specific functional signatures. Integration of disease-specific variant, gene, and functional association signals enabled the development of a data-driven framework for guided reanalysis of unsolved RD cases. Applied to more than 1,100 unsolved IRD cases, the framework generated clinically relevant findings in 26 patients, including four molecular diagnoses, seven candidate diagnoses, and 15 cases upgraded from non-informative findings to variants of uncertain significance. Aggregated real-world genomic data can be leveraged to identify disease-associated molecular signals generating novel biological hypotheses. A unified analytical framework provides a scalable strategy for knowledge discovery and guided reanalysis, facilitating the identification of overlooked and potentially novel genetic causes of RDs.

09.
arXiv (quant-ph) 2026-06-11

Measurement-Free Toric-Code Memory in Array Globally Controlled Rydberg Array

arXiv:2606.12030v1 Announce Type: new Abstract: The central prerequisite of any fault-tolerant quantum architecture is a quantum memory: a block of encoded physical qubits whose logical state is actively preserved against noise across many rounds of error correction. In neutral-atom Rydberg arrays, realizing such a memory is obstructed not by the entangling gates themselves, which are already fast and high-fidelity, but by the auxiliary operations that a conventional error-correction cycle requires: mid-circuit fluorescence measurement, inter-zone atom transport, and locally focused single-qubit addressing. Each of these introduces latency, atom loss, or optical crosstalk that exceeds the cost of the underlying gates by orders of magnitude. These costs accumulate cycle after cycle, progressively degrading the very logical information the code is meant to protect. Here we propose a protocol that stabilizes a toric-code quantum memory without moving, measuring or local addressing atoms. The key is to use a three-species Rydberg atom array for the complete stabilizer cycle, including syndrome extraction, coherent correction, and ancilla reset, under global, species-selective laser pulses. Numerical simulation of a $4 \times 4$ rotated toric code shows a longer qubit lifetime when the physical error rate is below a pseudo-threshold $p^\star \approx 0.034$. The scheme offers a concrete, hardware-efficient route to topological quantum memory in neutral-atom platforms.

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

Continuous Cross-Domain Traffic State Prediction via Memory-Augmented Graph Liquid Time-Constant Networks

arXiv:2606.15807v1 Announce Type: cross Abstract: Traffic state prediction is a fundamental task in intelligent transportation systems. In practical applications, some regions suffer from limited traffic observations due to insufficient sensing infrastructure, making cross-domain knowledge transfer an important solution for data-scarce traffic prediction. However, existing cross-domain traffic prediction methods still face several limitations, including coarse-grained source-target adaptation, limited capability in handling unseen target-domain patterns, and insufficient modeling of continuous traffic dynamics under irregular or heterogeneous temporal conditions. To address these issues, this paper proposes a continuous cross-domain traffic prediction framework, termed Memory-Augmented Graph Liquid Time-Constant Network (MA-GLTC). Specifically, we first construct spatio-temporal units (STUs) to decompose traffic networks into transferable local units, enabling fine-grained knowledge alignment across domains. Then, a graph liquid time-constant network (GLTC) is developed to model graph-coupled traffic evolution in continuous time. Different from generic graph neural ODE-based models, GLTC introduces graph-coupled recurrent conductance into liquid time-constant dynamics, allowing node states to evolve with leakage, adaptive time constants, and neighborhood-aware feedback. Furthermore, a Memory-based Transfer Storage (MTS) mechanism is designed to preserve source-domain knowledge, retrieve matched traffic patterns, and update reliable target-domain patterns when unseen states emerge. Experiments on five public traffic datasets demonstrate that MA-GLTC consistently outperforms representative innerdomain and cross-domain baselines in both short-term and longterm prediction tasks. Compared with the second-best method, MA-GLTC reduces the average prediction errors by 3.02%, 0.33%, 8.92%, 10.09%, and 2.11%, respectively.

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

CogGen: Cognitive-Load-Inspired Fully Unsupervised Deep Generative Modeling for Compressively Sampled MRI Reconstruction

arXiv:2603.04438v3 Announce Type: replace-cross Abstract: Fully unsupervised deep generative modeling (FU-DGM) offers significant potential for compressively sampled magnetic resonance imaging (CS-MRI) reconstruction. Representative FU-DGM formulations, such as deep image prior (DIP) and implicit neural representation (INR), employ architectural bias to induce a low-dimensional manifold in the image space that aligns with the forward observation. However, as the underlying inverse system is highly ill-posed, prolonged iterative fitting in FU-DGM typically leads to poor efficiency and noise amplification. In this paper, guided by the cognitive principle of easy-to-hard learning, we propose CogGen, an FU-DGM framework that reformulates CS-MRI reconstruction as a staged inversion problem. Specifically, CogGen implements an self-paced curriculum learning (SPCL)-driven progressive scheduling strategy through an MRI-aware dual-threshold weighting criterion, which adaptively regulates k-space measurement participation. The data-consistency residual thresholding evaluates the fitting reliability of the current generator, while the k-space radius thresholding controls stage-wise measurement exposure, thereby avoiding uniform fitting throughout optimization. Theoretically, our analysis shows that, when early stages favor easy-to-fit measurements, CogGen yields a reduced local sufficient-iteration bound and a smaller cumulative noise-amplification bound, explaining the improved convergence behavior and reconstruction fidelity of CogGen within a finite iteration budget. Numerical experiments demonstrate that both CogGen instantiations, CogGen-DIP and CogGen-INR, achieve superior performance over prevailing CS-MRI reconstruction techniques, including unsupervised and supervised pipelines.

12.
medRxiv (Medicine) 2026-06-18

Artificial Intelligence-informed mobile behavioural interventions to support adolescents mental health in schools: protocol for a randomised controlled trial using the MindCraft app

Background: Children and young people (CYP) are particularly affected by mental health problems. Mobile apps provide a scalable and accessible approach to adolescent mental health support, and schools are well-positioned to address multiple risk factors and deliver large-scale interventions. By combining active (self-reported) and passive (sensor-derived) data, mobile apps can model mental states and deliver context-aware support. Artificial Intelligence (AI) enables adaptive, context-aware recommendations tailored to each user. However, there is limited research on AI-based mental health interventions in community CYP. MindCraft is a mobile app designed to monitor adolescents mental health using active and passive data and provide AI-informed recommendations ("nudges"). This study aims to investigate the effectiveness of personalised AI nudges delivered through MindCraft on improving mental health outcomes among adolescents in schools in the United Kingdom. Methods: The study is a three-arm RCT using a prospective cohort of secondary school students aged 14-19. Following informed consent, participants complete a baseline online assessment at school and download MindCraft. The primary outcome is the Strengths and Difficulties Questionnaire global and subscale scores. Secondary outcomes include the Eating Disorders Diagnostic Scale, the Sleep Condition Indicator Questionnaire, the Self-Injurious Thoughts and Behaviours Interview, the Self-Efficacy Questionnaire for Children and the World Health Organisation-Five Well-Being Index. Participants are randomised to: (1) an AI-informed intervention group receiving personalised nudges, (2) an active control receiving non-personalised nudges, or (3) a control group with self-monitoring only. Participants use the app for four weeks, with follow-up at one month. Repeated-measures analyses will assess changes across time points. Discussion: We hypothesise that AI nudges will have a greater positive effect on mental health outcomes at one month than general nudges and self-monitoring. Our findings will provide key evidence on the effectiveness of personalised mobile AI recommendations for adolescents mental health and inform school-based mental health prevention and early intervention. This study will contribute evidence on the ethical, acceptable, and scalable integration of AI-enabled digital mental health tools within public health and educational systems, with implications for the design of future digital public health interventions and policies supporting their safe integration in schools.

13.
arXiv (CS.LG) 2026-06-12

From Uncertain Judgments to Calibrated Rankings: Conformal Elo Estimation for LLM Evaluation

arXiv:2606.13221v1 Announce Type: new Abstract: Evaluating new large language models typically requires costly human annotation campaigns at scale. LLM-as-a-judge offers a cheaper alternative, but judge scores carry systematic errors - such as position bias, self-preference, or intransitivity - that can strongly miscalibrate the resulting rankings. We quantify the resulting judge-human disagreement at two complementary levels. At the local level, we estimate per-battle uncertainty from the judge's own score differences by propagating calibrated win probabilities rather than hard labels into the Bradley-Terry procedure. This alone provides a drastic improvement to Elo estimation accuracy, bringing LLM-derived ratings within 17.9 Elo MAE of human-derived ones when averaged over 55 held-out models on LMArena. At the global level, we apply split conformal prediction to the residual gap between LLM-derived and human-derived Elo ratings across held-out models, producing prediction intervals with distribution-free marginal coverage guarantees that account for irreducible LLM-human disagreement. Together, these two layers yield a low-cost evaluation tool that provides developers with calibrated Elo estimates and honest uncertainty bounds, without access to large-scale human annotations.To facilitate reproducibility, we release our code at https://github.com/kargibora/SoftElo .

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

The Measurement Gap in the Automation of EU Law: Benchmarking Doctrinal Legal Reasoning under the EU AI Act

Large language models now produce legal text of at least median quality, yet no existing benchmark can evaluate whether they perform doctrinal legal reasoning, which forms the interpretive core of legal work, rather than the ancillary, paralegal tasks that most current legal-AI evaluations measure. This measurement gap is not only methodological but legal: the EU AI Act makes "appropriate accuracy" a binding requirement for high-risk AI used in the judicial domain, yet that requirement cannot acquire operational content without the very doctrinal-reasoning benchmark the field lacks.

15.
medRxiv (Medicine) 2026-06-17

Brain age gap correlates with DTI-derived microstructural abnormalities in multiple sclerosis.

Background: Brain age gap (BAG) is increased in multiple sclerosis (MS), but whether it reflects microstructural pathology beyond conventional atrophy remains unclear. Objective: To test whether BAG is elevated in MS and correlates with conventional and diffusion tensor imaging (DTI) abnormalities relative to healthy controls. Methods: A case-control study of 43 people with MS and 18 healthy controls was performed. BAG was estimated from T1-weighted MRI using brainageR. Controls were used as MRI reference distributions. MRI values were expressed as deviation z-scores and correlated with BAG within MS. Conventional MRI and DTI domains were analysed using age/sex-adjusted partial correlations with domain-wise Benjamini-Hochberg FDR correction, where appropriate. Results: BAG was higher in MS than controls (4.79 vs -2.58 years; p

17.
arXiv (quant-ph) 2026-06-16

Readout-Induced Leakage in Superconducting Circuits with Nonlinear Couplings

arXiv:2606.16055v1 Announce Type: new Abstract: In superconducting circuits, drive-induced unwanted transitions limit the readout power, thereby constraining readout speed and fidelity. When such transitions excite the qubit into leakage states, they produce correlated errors that are particularly harmful for quantum error correction. Native nonlinear qubit-readout resonator coupling is a promising alternative to conventional linear hybridization because it provides intrinsic Purcell protection and stricter selection rules for multiphoton processes. In realistic devices, however, we show that such a coupling alone neither eliminates nor necessarily suppresses drive-induced transitions. Instead, if not appropriately engineered, these couplings often worsen the situation by introducing additional parasitic processes. Moreover, the rates of these unwanted transitions remain sensitive to the choice of readout frequency, regardless of the coupling mechanism. We demonstrate that readout-induced leakage can thus vary by orders of magnitude even when readout frequencies differ by less than ~7%. Our results establish that the benefits of native nonlinear couplings are realized only through informed device design, including the spectral placement of relevant auxiliary modes and elimination of parasitic ones.

18.
arXiv (CS.CV) 2026-06-12

Stereo Vision-Based Fall Prediction and Detection using Human Pose Estimation on the AMD Kria K26 SOM

Background and Objective: Falls among elderly people can cause serious injury and reduce quality of life. Timely prediction and detection are essential to prevent harm and support well-being. We propose a portable, low-power, battery-operated, vision-based fall prediction and detection system using HPE on an AMD Kria K26 System-on-Module (SOM). The objective is a non-intrusive, privacy-preserving system for real-time fall detection. Methods: The system uses an Intel RealSense D455 range-sensing camera connected to the K26 SOM by USB. It captures synchronized RGB and depth frames, 640 x 480 x 3 and 640 x 480 pixels, at 60 FPS. The SOM runs a three-stage pipeline with quantized YOLOX, Anchor-to-Joint (A2J), and fall-detection models. YOLOX identifies human bounding boxes from RGB frames, then discards the RGB frames to preserve privacy. A2J uses depth frames to estimate 15 joint keypoints per person. A CNN uses selected joint coordinates (x, y, z) to classify fall activity. YOLOX was trained on CrowdHuman; A2J on ITOP, MP-3DHP, UR Fall Detection, and a custom SDSU PSG dataset; and the CNN on UR Fall Detection and SDSU PSG. The design used a single-core DPU with a serial pipeline and a dual-core DPU running YOLOX and A2J with multiple threads. Results: Quantized accuracy was evaluated using IoU >= 50% for YOLOX, mAP with a 10-cm rule for A2J, and classification accuracy, (TP + TN)/(TP + TN + FP + FN), for the CNN. Accuracies were 74%, 84.13%, and 75.85%. Throughput improved from 2.5 FPS for the single-threaded pipeline to 4.5 FPS for the multi-threaded version. Conclusion: Results demonstrate the feasibility of privacy-preserving fall detection on an AMD Kria K26 edge device. On-device HPE and fall classification runs without cloud dependency, supporting elderly monitoring and assistive healthcare. Future work will improve model accuracy and speed.

19.
arXiv (quant-ph) 2026-06-11

Unifying framework for quantum simulation algorithms for time-dependent Hamiltonian dynamics

arXiv:2411.03180v2 Announce Type: replace Abstract: Recently, there has been growing interest in simulating time-dependent Hamiltonians using quantum algorithms, driven by diverse applications, such as quantum adiabatic computing. While techniques for simulating time-independent Hamiltonian dynamics are well-established, time-dependent Hamiltonian dynamics is less explored and it is unclear how to systematically organize existing methods and to find new methods. Sambe-Howland's continuous clock elegantly transforms time-dependent Hamiltonian dynamics into time-independent Hamiltonian dynamics, which means that by taking different discretizations, existing methods for time-independent Hamiltonian dynamics can be exploited for time-dependent dynamics. In this work, we systemically investigate how Sambe-Howland's clock can serve as a unifying framework for simulating time-dependent Hamiltonian dynamics. Firstly, we demonstrate the versatility of this approach by showcasing its compatibility with analog quantum computing and digital quantum computing. Secondly, for digital quantum computers, we illustrate how this framework, combined with time-independent methods (e.g., product formulas, multi-product formulas, qDrift, and LCU-Taylor), can facilitate the development of efficient algorithms for simulating time-dependent dynamics. This framework allows us to (a) resolve the problem of finding minimum-gate time-dependent product formulas; (b) establish a unified picture of both Suzuki's and Huyghebaert and De Raedt's approaches; (c) generalize Huyghebaert and De Raedt's first and second-order formula to arbitrary orders; (d) answer an unsolved question in establishing time-dependent multi-product formulas; (e) and recover continuous qDrift on the same footing as time-independent qDrift. Thirdly, we demonstrate the efficacy of our newly developed higher-order Huyghebaert and De Raedt's algorithm through digital adiabatic simulation.

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

Decentralized Autoregressive Generation

arXiv:2601.03184v3 Announce Type: replace-cross Abstract: The decentralization of autoregressive generation has attracted considerable attention in recent years as a solution to scaling bottlenecks. However, despite promising empirical results, this paradigm currently lacks rigorous theoretical justification. In this work, we formally establish the theoretical equivalence between decentralized and centralized training. To achieve this, we adapt the Discrete Flow Matching framework for autoregressive generation, leveraging its inherent properties to demonstrate that global models naturally decompose into independent experts. Finally, we conduct extensive experiments across diverse multimodal benchmarks, empirically validating that decentralized training maintains competitive parity with standard centralized architectures.

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

QK-Normed MLA: QK normalization without full key caching

Query-key (QK) normalization stabilizes attention by controlling the scale of queries and keys before the dot product, but is not immediately compatible with Multi-head Latent Attention (MLA). MLA achieves efficient decoding by caching low-dimensional latent states instead of full keys, whereas post-projection QK RMSNorm appears to require the fully projected key for every cached token. We show this apparent incompatibility is an implementation artifact, not an architectural constraint. RMSNorm decomposes into a static affine weight and a dynamic scalar RMS statistic. The static key-side weight can be absorbed into the MLA query-side projection; the dynamic key statistic reduces to one inverse-RMS scalar per token and KV group. The resulting formulation is exactly equivalent to explicit post-projection QK RMSNorm in exact arithmetic and preserves MLA's latent decode path. In our 400M runs trained for up to 100B tokens, QK-Normed MLA achieves lower training loss and better downstream accuracy than QK clipping, while H800 decode benchmarks show less than 2% latency overhead up to 256k context. These results make QK normalization a practical stabilization option for MLA models without requiring full-key caching.

23.
bioRxiv (Bioinfo) 2026-06-11

EditorForge: An Active-Site-Aware Framework for Inverse-Folding-Based Protein Redesign

Inverse-folding models can rapidly generate protein sequences compatible with a supplied backbone, but unconstrained redesign is poorly suited to enzyme and genome-editor-associated domains, where catalytic, substrate-proximal, and conserved structural regions must remain protected. In this paper, we present EditorForge, a modular constraint-and-audit suite for editor-domain protein redesign that wraps fixed-backbone inverse folding with explicit design masks, fixed-position enforcement, active-site-proximity auditing, active-site-shielded regeneration, and downstream structural quality control. Using full-length Moloney murine leukemia virus reverse transcriptase structure 4MH8 (MMLV RT 4MH8) as a demonstration target, EditorForge first restricted redesign to a bounded 25-position envelope while fixing 428 residues. An initial audit detected active-site-proximal failure modes despite fixed-position integrity. Later, the Active Site Shield module then removed five unsafe design positions, replaced them with lower-contact alternatives, and regenerated candidates under stricter constraints. Post Shield Audit evaluated 24 regenerated candidates, all of which satisfied the hard sequence/mask and active-site-shield constraints. For the eight candidates that were selected or returned for structure-prediction/refolding quality control. Enhanced RefoldQC found that all 8 evaluated predicted structures passed the computational structure-QC screen. That said, the selected 8 candidates passed the computational structure-QC screen, with global C RMSD values of 1.2061–1.5555~[A], active-site C RMSD values of 0.4098–1.8397~[A], mutation-neighborhood C RMSD values of 1.3155-1.6848~[A], and average pLDDT-like confidence values of 94.87-95.11. In short, EditorForge provides a reproducible triage layer that converts general inverse-folding output into constrained and editor-specific candidate sets for downstream structural and biological review on top of existing structural prediction tools.

24.
arXiv (CS.AI) 2026-06-15

Shift-Invariant Attribute Scoring for Kolmogorov-Arnold Networks via Shapley Value

arXiv:2510.01663v2 Announce Type: replace-cross Abstract: For many real-world applications, understanding feature-outcome relationships is as crucial as achieving high predictive accuracy. While traditional neural networks excel at prediction, their black-box nature obscures underlying functional relationships. Kolmogorov–Arnold Networks (KANs) address this by employing learnable spline-based activation functions on edges, enabling recovery of symbolic representations while maintaining competitive performance. However, KAN's architecture presents unique challenges for network pruning. Conventional magnitude-based methods become unreliable due to sensitivity to input coordinate shifts. We propose ShapKAN, a pruning framework using Shapley value attribution to assess node importance in a shift-invariant manner. Unlike magnitude-based approaches, ShapKAN quantifies each node's actual contribution, ensuring consistent importance rankings regardless of input parameterization. Extensive experiments on synthetic and real-world datasets demonstrate that ShapKAN preserves true node importance while enabling effective network compression. Our approach improves KAN's interpretability advantages, facilitating deployment in resource-constrained environments.

25.
arXiv (CS.AI) 2026-06-16

Retro-Expert: Collaborative Reasoning for Interpretable Retrosynthesis

arXiv:2508.10967v3 Announce Type: replace-cross Abstract: Retrosynthesis prediction aims to infer the reactant molecules based on a given product molecule, which is a fundamental task in chemical synthesis. However, existing methods rely on a static pattern-matching paradigm, which limits their ability to perform effective logical decision-making from chemical data, leading to a black-box process. We propose Retro-Expert, an interpretable retrosynthesis framework that performs collaborative reasoning by combining the complementary strengths of Large Language Models and specialized models via pure reinforcement learning. It outputs natural language explanations grounded in chemical logic through three components: (1) specialized models provide chemical knowledge that is distilled into a high-quality chemical decision space, (2) LLM-driven critical reasoning to generate predictions with an interpretable reasoning path, and (3) knowledge-grounded policy optimization refines the interpretable decision policy. Experiments show that Retro-Expert surpasses both LLM-based and specialized models across different metrics, while generating chemically grounded explanations that enhance chemists' trust in practice. The source code for this paper is available at https://github.com/MagixRab-ll/Retro-Expert.