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01.
arXiv (quant-ph) 2026-06-16

Neural quantum states for entanglement depth certification from randomized Pauli measurements

arXiv:2512.13121v2 Announce Type: replace Abstract: Entanglement depth quantifies how many qubits share genuine multipartite entanglement, but certification typically relies on tailored witnesses or full tomography, both of which scale poorly with system size. We recast entanglement-depth and non-$k$-separability certification as likelihood-based model selection among neural quantum states whose architecture enforces a chosen entanglement constraint. A hierarchy of separable neural quantum states is trained on finite-shot local Pauli outcomes and compared against an unconstrained reference model trained on the same data. When all constrained models are statistically disfavored, the data certify entanglement beyond the imposed limit directly from measurement statistics, without reconstructing the density matrix. We validate the method on simulated six- and ten-qubit datasets targeting GHZ, Dicke, and Bell-pair states, and demonstrate robustness for mixed states under local noise. Finally, we discuss lightweight interpretability diagnostics derived from trained parameters that expose coarse entanglement patterns and qubit groupings directly from bitstring statistics.

02.
medRxiv (Medicine) 2026-06-22

A Drug-Specific, Half-Life-Adjusted Framework for Classifying CNS-Active Systemic Therapy Exposure During and After Radiotherapy

Clinical oncology datasets often store systemic therapy as a regimen label with a start date and an end date. Those records are clinically recognizable but can be analytically incomplete when the research question concerns whether a patient was exposed to a concurrent CNS-active drug (cCNS-aD) or an adjuvant CNS-active drug (aCNS-aD) around radiotherapy. Contemporary CNS-oncology studies usually define CNS activity by empiric drug lists and define concurrency by fixed calendar windows, although the literature shows substantial heterogeneity across both concepts. This paper proposes a generalizable framework for converting raw systemic therapy records into reproducible cCNS-aD and aCNS-aD variables, useful in subgrouping for clinical studies. The framework uses a transparent CNS scoring model based on three clinical evidence components: intracranial objective response rate, consensus CNS endorsement, and intrathecal route of administration. It then defines a pharmacokinetic exposure proxy as the recorded end date plus five half-lives. Concurrent exposure is classified by overlap with the radiotherapy interval, while post-radiotherapy exposure is classified by overlap with a prespecified post-RT attribution window. The framework separately identifies post-RT pharmacokinetic persistence and post-RT treatment initiation, allowing investigators to distinguish continued exposure from true adjuvant initiation. This is a methodological framework and reference implementation. Implementation audits and endpoint-specific sensitivity analyses remain necessary before use as a definitive exposure classifier

03.
arXiv (CS.LG) 2026-06-15

MOSIC: Model-Agnostic Optimal Subgroup Identification with Multi-Constraint for Improved Reliability

arXiv:2504.20908v3 Announce Type: replace Abstract: Current subgroup identification methods typically follow a two-step approach: first estimate conditional average treatment effects and then apply thresholding or rule-based procedures to define subgroups. While intuitive, this decoupled approach fails to incorporate key constraints essential for real-world clinical decision-making, such as subgroup size and propensity overlap. These constraints operate on fundamentally different axes than CATE estimation and are not naturally accommodated within existing frameworks, thereby limiting the practical applicability of these methods. We propose a unified optimization framework that directly solves the primal constrained optimization problem to identify optimal subgroups. Our key innovation is a reformulation of the constrained primal problem as an unconstrained differentiable min-max objective, solved via a gradient descent-ascent algorithm. We theoretically establish that our solution converges to a feasible and locally optimal solution. Unlike threshold-based CATE methods that apply constraints as post-hoc filters, our approach enforces them directly during optimization. The framework is model-agnostic, compatible with a wide range of CATE estimators, and extensible to additional constraints like cost limits or fairness criteria. Extensive experiments on synthetic and real-world datasets demonstrate its effectiveness in identifying high-benefit subgroups while maintaining better satisfaction of constraints.

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

On The Effectiveness-Fluency Trade-Off In LLM Conditioning: A Systematic Study

Controlling the output of Large Language Models (LLMs) is a central challenge for their reliable deployment, yet a clear understanding of the involved trade-offs remains elusive. Current approaches to conditioning are often evaluated with a narrow focus on their effectiveness at injecting or removing a target concept, neglecting generation quality. We systematically investigate a range of conditioning methods in both injection and removal scenarios. We find that efficient steering methods frequently achieve conditioning at a steep cost to fluency. Furthermore, we identify a critical yet previously overlooked interaction with the training paradigm: activation steering methods are far less effective on instruction-tuned models than on their base counterparts. Simple prompting and full-fledged supervised fine-tuning, on the other hand, are viable options for concept injection, but are not as good at concept removal. Finally, cheaply computed textual metrics highly correlate to costly LLM-as-judge scores, and provide insights on the behavior of conditioning methods.

05.
arXiv (CS.AI) 2026-06-17

Discrete Autoregressive Transformer for Generative Mechanism Synthesis

arXiv:2606.17409v1 Announce Type: cross Abstract: Planar path synthesis requires mechanisms whose coupler curves match a prescribed trajectory; the mapping from curve to linkage is inherently one-to-many across four-, six-, and eight-bar topologies. We address this design problem with simulation-grounded evaluation on a curated corpus of over one million mechanisms, reporting Chamfer distance and dynamic time warping after forward kinematics and geometric alignment. We formulate synthesis as conditional autoregressive sequence modeling: joint coordinates are uniformly quantized to tokens and generated by a decoder-only transformer with a variational-autoencoder (VAE) latent of the target curve and an explicit mechanism-type token. Training combines token cross-entropy with a Gaussian-smoothed bin auxiliary loss that respects ordinal structure among bins. At inference, a bounded latent-noise schedule decodes all mechanism types at each noise level; we retain the top five candidates by geometric error, yielding diverse accurate families without dataset lookup. On held-out tests, aggregate mean Chamfer distance is $0.0132$ and mean dynamic time warping is $0.153$; a latent $k$-nearest-neighbor baseline that conditions on training-set neighbor latents in VAE space achieves matched-topology mean Chamfer distance $0.0071$ and mean dynamic time warping $0.117$ using the same decoder.

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

Motion Reinforces Appearance: RGB-Skeleton Gated Residual Fusion for Micro-Gesture Online Recognition

Micro-gesture analysis attracts increasing attention for inferring spontaneous emotion from subtle body movements. Micro-gesture online recognition, which localizes and classifies each gesture instance in untrimmed videos, is a core task in the 4th EI-MiGA-IJCAI Challenge. Compared with typical temporal action detection, MGR emphasizes the localization and classification of actions, requiring the model to output the start time, end time, and category of each micro-gesture. Moreover, since micro-gestures are highly spontaneous, relying solely on a single modality makes it difficult to capture the complete and accurate multi-modal cues. In this work, we propose DyFADet+, which extends DyFADet into a dual-stream RGB-skeleton framework. In our model, both modalities are projected into shared multi-scale temporal embeddings and fused through a gated residual module, which adaptively injects skeleton motion into the RGB representation rather than using naive concatenation. Finally, these fused features are decoded by a Dynamic TAD head for online classification and boundary regression. On the SMG dataset, our method achieves an F1 score of 40.88, ranking 2nd in the Micro-gesture Online Recognition track.

07.
arXiv (CS.CL) 2026-06-19

How LLMs Fail and Generalize in RTL Coding for Hardware Design?

Translating sequential programming priors into the parallel temporal logic of hardware design remains a crucial bottleneck for large language models(LLM). To investigate this, we introduce a new error taxonomy grounded in problem solvability, inspired by cognitive theory. Our taxonomy categorizes failures into syntactic, semantic, solvable functional, and unsolvable functional types. Evaluations reveal a strict empirical ceiling on the VerilogEval benchmark, as frontier models plateau at a 90.8% initial pass rate. These plateaus are defined by unsolvable functional errors, exposing persistent knowledge gaps immune to test time compute scaling. Furthermore, we expose a striking surface convergence gap: optimization readily eliminates syntax errors but concurrently exacerbates deeper functional failures. Our findings demonstrate that alignment techniques merely teach models to compile. While repeated sampling strategies can patch solvable errors, register-transfer level(RTL) coding capacity remains strictly bounded by pretraining knowledge. Addressing challenges in the current LLM based hardware generation pipeline requires more studies in model reasoning rather than alignment interventions.

08.
arXiv (CS.LG) 2026-06-19

A Critical Look at Targeted Instruction Selection: Disentangling What Matters (and What Doesn't)

arXiv:2602.14696v2 Announce Type: replace Abstract: Instruction fine-tuning of large language models (LLMs) often involves selecting a subset of instruction training data from a large candidate pool, using a small query set from the target task. Despite growing interest, the literature on targeted instruction selection remains fragmented and opaque: methods vary widely in selection budgets, often omit zero-shot baselines, and frequently entangle the contributions of key components. As a result, practitioners lack actionable guidance on selecting instructions for their target tasks. In this work, we aim to bring clarity to this landscape by disentangling and systematically analyzing the two core ingredients: data representation and selection algorithms. Our framework enables controlled comparisons across models, tasks, and budgets. We find that only gradient-based data representations choose subsets whose similarity to the query consistently predicts performance across datasets, models, and candidate pools. While no single method dominates, gradient-based representations paired with greedy round-robin selection often perform best on average at low budgets, but these gains diminish at larger budgets. Finally, we unify several existing selection algorithms as forms of approximate distance minimization between the selected subset and the query set, and support this view with new generalization bounds. More broadly, our findings provide critical insights and a foundation for more principled data selection in LLM fine-tuning. The code is available at https://github.com/dcml-lab/targeted-instruction-selection.

09.
arXiv (CS.CL) 2026-06-16

Towards Advanced Mathematical Reasoning for LLMs via First-Order Logic Theorem Proving

Large language models (LLMs) have shown promising first-order logic (FOL) reasoning capabilities with applications in various areas. However, their effectiveness in complex mathematical reasoning involving multi-step FOL deductions is still under-researched. While LLMs perform competitively on established mathematical reasoning benchmarks, they struggle with multi-step FOL tasks, as demonstrated by Deepseek-Prover-V2-7B's low accuracy (4.2%) on our proposed theorem proving dataset. This issue arises from the limited exploration of diverse proof strategies and the potential for early reasoning mistakes to undermine entire proofs. To address these issues, we propose DREAM, a self-adaptive solution that enhances the Diversity and REAsonability of LLMs' generation strategies. DREAM incorporates an Axiom-Driven Strategy Diversification mechanism to promote varied strategic outcomes and a Sub-Proposition Error Feedback to help LLMs reflect on and correct their proofs. Our contributions include pioneering advancements in LLMs' mathematical reasoning through FOL theorem proving, introducing a novel inference stage solution that improves performance by 0.6% to 6.4%, and providing a curated dataset of 447 mathematical theorems in Lean 4 format for evaluation.

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

TextResNet: Decoupling and Routing Optimization Signals in Compound AI Systems via Deep Residual Tuning

arXiv:2602.08306v2 Announce Type: replace Abstract: Textual Gradient-style optimizers (TextGrad) enable gradient-like feedback propagation through compound AI systems. However, they do not work well for deep chains. The root cause of this limitation stems from the Semantic Entanglement problem in these extended workflows. In standard textual backpropagation, feedback signals mix local critiques with upstream contexts, leading to Attribution Ambiguity. To address this challenge, we propose TextResNet, a framework that reformulates the optimization process to achieve precise signal routing via four key innovations. Firstly, in the forward pass, it enforces Additive Semantic Deltas to preserve an Identity Highway for gradient flow. Secondly, in the backward pass, it introduces Semantic Gradient Decomposition via a Semantic Projector to disentangle feedback into causally independent subspaces. Thirdly, it implements Causal Routing, which routes projected signals to their specific components. Finally, it performs Density-Aware Optimization Scheduling to leverage the disentangled signals to dynamically allocate resources to key system bottlenecks. Our results show that TextResNet not only achieves superior performance compared to TextGrad, but also exhibits remarkable stability for agentic tasks in compound AI systems where baselines collapse. Code is available at https://github.com/JeanDiable/TextResNet.

11.
medRxiv (Medicine) 2026-06-15

Automated AI-Based Ventricular Subcompartment Segmentation and Volumetry in Idiopathic Normal Pressure Hydrocephalus

Purpose In idiopathic normal pressure hydrocephalus (iNPH), longitudinal monitoring of ventricular size is important for diagnosis and treatment follow-up. This study aimed to validate a fully automated AI model for CT ventricular volumetry with subcompartments and to compare AI-derived volume changes with routine radiology assessments. Methods This retrospective, single-center study included 88 patients with iNPH and 456 non-contrast-enhanced head CT examinations. The model was trained on 38 manually labeled CT scans with 12 ventricular subcompartments. Outcomes included segmentation accuracy, correspondence between AI-derived longitudinal ventricular volume changes and radiology report categories (decreased, unchanged, increased), radiologist detection thresholds for ventricular change, and paired pre- and postoperative volume changes in 22 patients with ventriculoperitoneal shunt. Results Mean segmentation accuracy was high (Dice, 0.83). 91% of 100 segmentations were rated as excellent by an expert neuroradiologist. AI-derived ventricular volume changes corresponded well to radiology report categories (median total ventricular volume changes of -17% in cases reported as decreased, 0% in unchanged cases, and +22% in increased cases; all p < 0.001). Radiologists reported ventricular volume change in 50% of cases at an AI-measured relative volume change of +/-6%, and in 90% of cases at +21% for enlargement and -18% for decrease. After shunt placement, ventricular volume decreased by -8% (median), with the largest relative reductions observed in the right temporal and occipital horns. Conclusions Automated AI-based ventricular segmentation on CT enables accurate and reproducible assessment of ventricular volume changes in iNPH and complements routine radiological evaluation for longitudinal and postoperative monitoring.

12.
arXiv (CS.LG) 2026-06-17

Weisfeiler Lehman Test on Combinatorial Complexes: Generalized Expressive Power of Topological Neural Networks

arXiv:2605.00725v2 Announce Type: replace Abstract: Topological neural networks have emerged as effective tools for modeling higher-order relational structures beyond pairwise graphs, including hypergraphs, simplicial complexes, and cell complexes. However, existing Weisfeiler-Leman type expressivity analyses are typically developed on different structural domains and rely on domain-specific neighborhood systems, making their expressive powers difficult to compare within a common formalism. In this paper, we introduce the Combinatorial Complex Weisfeiler-Leman (CCWL) framework, a unified expressive power refinement defined on combinatorial complexes. By exploiting the ability of combinatorial complexes to represent both set-type relations and part-whole hierarchies, CCWL performs topological color refinement through four structural neighborhoods: boundary, co-boundary, lower adjacency, and upper adjacency. We show that, under specified lifting maps, CCWL can simulate several domain-specific WL-type refinements, thereby providing a common theoretical baseline for analyzing topological message passing. We further study the neighborhood sufficiency problem and prove that, under explicit coverage conditions, a reduced refinement using only lower- and upper-adjacent bridge information preserves the distinguishing power of the full four-neighborhood CCWL refinement. Guided by this theoretical result, we instantiate the reduced refinement as the Combinatorial Complex Isomorphism Network (CCIN). Experiments on synthetic and real-world benchmarks demonstrate that CCIN achieves competitive performance against representative graph and topological neural network baselines. Ablation studies and resource-efficiency analyses further support the effectiveness of the proposed lower/upper-neighborhood design.

13.
arXiv (CS.CL) 2026-06-11

When is Your LLM Steerable?

Activation steering offers a lightweight approach to control language models' behavior at inference time, but whether it succeeds or fails heavily depends on the prompt, concept, model, and steering configuration. Finding the regime and boundaries of successful steering typically requires expensive grid searches and post-hoc evaluation of full autoregressive rollouts. In this work, we investigate whether steerability can be predicted from the model's internal states at the beginning of the generation process, e.g., after generating the first few tokens, and how to leverage such a predictor to improve steering success rate. To this end, we first introduce ASTEER, a testbed including 1.4M steered generations, spanning 150 concepts with each steering success/failure labeled. Leveraging this testbed, we analyze the model's early decoding dynamics by extracting features that compare hidden states before and after steering across layers and initial decoding steps. These features help us understand how steering's effects propagate along layers and token positions, which provide key information for steerability prediction. We then train a Gradient Boosting Decision Trees (GBDT) classifier on these features to predict whether an intervention will under-steer, succeed, or over-steer without requiring full rollout. Our predictor achieves around 0.7 macro-F1 score on unseen concepts, demonstrating that early hidden states encode substantial, structured information about eventual steering efficacy. We further leverage this steerability predictor as guidance for steering strength searching, achieving near-optimal performance with a small fraction of decoding cost.

14.
arXiv (CS.AI) 2026-06-18

Explaining Attention with Program Synthesis

arXiv:2606.19317v1 Announce Type: cross Abstract: A longstanding goal of research on interpretable deep learning is to replace opaque neural computations with human-meaningful symbolic descriptions. In this paper, we propose an approach for approximating the behavior of components of deep networks with executable programs. We focus on attention heads in transformer language models. For a given head, we first compute its associated attention matrices on a collection of randomly selected training examples. Next, we prompt a pre-trained language model with a summary of these matrices, and instruct it to generate a set of Python programs that can reproduce the associated attention patterns given only text from the input sentence. Finally, we re-rank programs according to how well our final set of programs predict behavior on held-out inputs. We demonstrate that a set of fewer than 1,000 such generated programs can reproduce the attention patterns of heads in GPT-2, TinyLlama-1.1B, and Llama-3B, achieving an average Intersection-over-Union similarity above 75% on TinyStories. Moreover, the best-fit programs can replace neural attention heads without substantially affecting model behavior: replacing 25% of attention heads with programmatic surrogates across the three models incurs only a 16% average perplexity increase, while maintaining performance on a variety of downstream question answering benchmarks. This work contributes a scalable pipeline for reverse-engineering attention heads in transformer models using human-readable, executable code, advancing a path toward symbolic transparency in neural models.

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

Guidelines for the Annotation and Visualization of Legal Argumentation Structures in Chinese Judicial Decisions

This Guideline presents a systematic and operationalizable annotation framework for representing legal argumentation structures in judicial decisions. Grounded in theories of legal reasoning and argumentation, the framework aims to reveal the logical organization of judicial reasoning and provide a reliable foundation for computational analysis. At the element level, the Guideline distinguishes between the non-propositional layer and the propositional layer. The non-propositional layer consists of two elements: Issue and Non-argumentative Component. At the propositional level, the Guideline defines four proposition types: General Normative Judgment, Particular Normative Judgment, General Factual Judgment, and Particular Factual Judgment. At the relational level, five relation types are defined to represent argumentative structures: Support, Attack, Joint, Match, and Identity. These relations capture positive and negative argumentative connections, conjunctive reasoning structures, correspondences between legal norms and case facts, and identity or semantic equivalence between propositions. The Guideline further specifies formal representation rules and visualization conventions for both basic and nested structures, enabling consistent visualization of complex argumentation patterns. In addition, it establishes a standardized annotation workflow and consistency control mechanisms to ensure the reproducibility and reliability of annotated data. By providing a clear conceptual model, formal representation rules, and practical annotation procedures, this Guideline supports large-scale analysis of judicial reasoning and future research in legal argument mining, computational modeling of legal reasoning, and AI-assisted legal analysis.

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

Adjoint Method versus Physics-Informed Neural Networks in PDE-Constrained Inverse Problems

arXiv:2606.12337v1 Announce Type: cross Abstract: Inverse problems governed by partial differential equations (PDEs) are central to computational mechanics and are commonly solved by adjoint-based optimization, while physics-informed neural networks (PINNs) have emerged as a flexible alternative. Their relative performance remains difficult to assess because the two approaches are often compared under different formulations, parameterizations, optimizers, and regularization choices. We present a fair comparison of adjoint optimization and PINNs for PDE-constrained inverse problems. From a common abstract formulation, we instantiate both methods on identical domains, governing equations, observation models, and regularization terms, while matching the optimizer, unknown parameterization, and arithmetic precision wherever applicable. The benchmarks include unsteady Burgers, noisy Darcy permeability inversion, three-dimensional Allen–Cahn reaction identification, and unsteady Navier–Stokes viscosity identification. The results show that the representation of the unknown largely determines the preferred method: grid-based fields favor the discrete adjoint, whereas neural representations are native to PINNs and relevant for closure and constitutive modeling. For time-dependent problems, adjoint inversion can be dominated by trajectory storage and differentiation, while PINNs provide satisfactory reconstructions at lower cost. A PINN-warm-started adjoint strategy then recovers adjoint-level accuracy at substantially reduced cost.

17.
arXiv (CS.AI) 2026-06-19

The Tao of Agency: Autotelic AI, Embedded Agency and Dissolution of the Self

arXiv:2606.19924v1 Announce Type: new Abstract: Most artificial intelligence systems are built on the assumption that goals are exogenous and specified by the designer. Exploring what happens when an agent begins generating its own goals opens the field of autotelic AI. Agents are expected not merely to pursue objectives but to discover them. In this article, we trace its consequences through intrinsic motivation, resource-driven priors, causal-interventional learning, homeostasis, and embeddedness; the last of which is found to be a necessary but not sufficient condition for autotelic agency. Embeddedness individuates the agent at the cost of revealing that the individuation is non-unique, such that the same dynamics admit many valid partitions, each defining a different candidate self. The deepest problem with autotelic AI is therefore not how the agent generates goals, but how it generates and relativizes the self to which the goals are assigned. The agent must believe in its own boundary in order to act, and see through that boundary in order to understand. We consolidate these developments into a single framework and extend it along three directions: a quantum formulation in which the agent-environment cut becomes physical, a philosophical reading against non-dual contemplative traditions, and a concrete LLM-based agentic instantiation.

18.
medRxiv (Medicine) 2026-06-15

Specialty Choice Attitudes Among Medical Interns: Evidence from Hormozgan University of Medical Sciences

Background: Choosing a medical specialty is a critical career decision that affects both physicians future professional lives and the composition of the healthcare workforce. Specialty preferences are shaped by multiple personal, educational, and socioeconomic factors, yet evidence from senior medical students in southern Iran remains limited. This study aimed to assess willingness to pursue specialty training among medical interns at Hormozgan University of Medical Sciences, identify their preferred specialties, and examine factors associated with their decisions. Methods: This descriptive-analytical cross-sectional study was conducted in 2023 among medical interns at Hormozgan University of Medical Sciences in Bandar Abbas, Iran. Using a convenience census approach, all eligible interns were invited to participate, and 83 students completed an online questionnaire. The instrument collected demographic, academic, and occupational data, as well as reasons for willingness or unwillingness to pursue specialty training and specialty preferences. Content and face validity were assessed by faculty members and students, and internal consistency reliability in the present study was acceptable (Cronbach alpha = 0.82). Data were analyzed using descriptive statistics and logistic regression in SPSS version 27. Results: Of the 83 participants, 50 (60.2%) reported willingness to pursue specialty training, while 33 (39.8%) did not. Among students willing to continue, the most frequently cited reasons were achieving a better economic position, broader job opportunities, and higher social status. Among those unwilling to continue, the most common reasons were fatigue from prolonged studying, financial problems, and the desire to start working after graduation. Radiology was the most common first-choice specialty, followed by otorhinolaryngology, dermatology, and cardiology. In regression analyses, no demographic or academic variable remained independently associated with willingness to pursue specialty training in the final multivariable model. Conclusions: A majority of medical interns were interested in pursuing specialty training, with preferences concentrated in a limited number of specialties perceived as offering favorable financial prospects, prestige, and lifestyle. Economic concerns and educational fatigue were the dominant factors influencing willingness and unwillingness to continue specialty education. These findings highlight the need for structured career counseling, broader exposure to different specialties, and policy measures to address financial and structural barriers to residency training. Keywords: medical specialty choice; medical interns; residency training; medical education; Hormozgan university of medical sciences

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

Feature Attribution in Directed Acyclic Graphs Using Edge Intervention

arXiv:2606.15273v1 Announce Type: new Abstract: Shapley value-based feature attribution methods face challenges in scenarios involving complex feature interactions and causal relationships, even when a causal structure is provided. Existing methods typically adopt a node-centric view, attributing importance solely to individual features. Consequently, they often fail to simultaneously capture the externality and exogenous influence of features, leading to unreasonable interpretations. To overcome these limitations, we propose a novel feature attribution method called DAG-SHAP, which is based on edge intervention. DAG-SHAP treats each feature edge as an individual attribution object, ensuring that both externality and exogenous contributions of features are appropriately captured. Additionally, we introduce an approximation method for efficiently computing DAG-SHAP. Extensive experiments on both real and synthetic datasets validate the effectiveness of DAG-SHAP. Our code is available at https://github.com/ZJU-DIVER/DAG-SHAP.

20.
arXiv (CS.CL) 2026-06-18

ASyMOB: Algebraic Symbolic Mathematical Operations Benchmark

Large language models (LLMs) are increasingly applied to symbolic mathematics, yet existing evaluations often conflate pattern memorization with genuine reasoning. To address this gap, we present ASyMOB, a high-resolution dataset of 35,368 validated symbolic math problems spanning integration, limits, differential equations, series, and hypergeometrics. Unlike prior benchmarks, ASyMOB systematically perturbs each seed problem using symbolic, numeric, and equivalence-preserving transformations, enabling a fine-grained assessment of generalization. Our evaluation reveals three key findings: (1) most models' performance collapses under minor perturbations, while top systems exhibit an apparent regime shift in robustness; (2) integrated code tools stabilize performance, particularly for weaker models; and (3) we identify examples where Computer Algebra Systems (CAS) fail while LLMs succeed, as well as problems solved only via a hybrid LLM-CAS approach, highlighting a promising integration frontier. ASyMOB serves as a principled diagnostic tool for measuring and accelerating progress toward building verifiable, trustworthy AI for scientific discovery.

21.
PLOS Computational Biology 2026-05-29

Structural and dynamic basis of NOD2 tandem CARD association and NOD1/2–RIP2 signaling complexes

by Jitendra Maharana, Aritra Bej, Debasish Biswal, Debashis Panda, Arjun Sharma NOD1 and NOD2, founding members of the NOD-like receptor (NLR) family, play a crucial role in host defense against bacterial infections. Recognition of peptidoglycan-derived ligands triggers ATP-dependent oligomerization of the NACHT domain, exposing the CARD domains that recruit the adaptor protein RIP2 via CARD–CARD interactions to activate the NF-κB signaling cascade. Although NOD1/2-RIP2 interactions and RIP2CARD filament assembly are established, the precise interfaces that stabilize hetero–CARD filaments remain poorly defined. Here, we integrate in silico structural modeling with molecular dynamics (MD) simulations to elucidate structurally compatible arrangements of NOD1–RIP2 and NOD2–RIP2 hetero–CARD filaments. Our results reveal that NOD1CARD subunits form a structurally compatible homomeric scaffold via canonical (type-I–III) interfaces, accommodating multiple tiers of RIP2CARD rings at both filament termini. Meanwhile, the NOD2 tandem CARDs adopt multiple discrete conformations, reflecting a more intricate structural mechanism. In stable filament conformations, tandem CARDs converge at the type-II interface, with RIP2CARD rings stacking onto CARDa (top-down) and CARDb (bottom-up) interfaces, highlighting the structural role of NOD2CARDb in RIP2-mediated CARD–CARD interaction. In silico mutagenesis, involving charge-reversal and alanine scanning of key interfacial residues, disrupts NOD1–RIP2 and NOD2–RIP2 interactions at both top-down and bottom-up interfaces, leading to rapid interface destabilization within 0.1–0.4 μs of simulation. Together, these results reveal conserved and receptor-specific mechanisms governing NOD1/2–RIP2 CARD–CARD interactions and provide deeper structural and dynamic insights into the complex structural mechanisms for NLR-mediated inflammatory signaling.

22.
medRxiv (Medicine) 2026-06-15

Modelling the public-health impact of indoor air quality interventions on respiratory virus transmission

Respiratory virus transmission occurs in indoor settings where ventilation, occupancy, and dwell time determine exposure levels. Improving indoor air quality (IAQ) therefore could help reduce disease burden associated with respiratory viruses, yet its population-level impact remains poorly quantified. Here, we develop an individual-based transmission modelling framework that links within-location airborne dynamics to individual infection risk and population-level spread, whilst explicitly incorporating heterogeneity in ventilation and baseline indoor air quality across locations. We use this modelling approach to evaluate IAQ-improving interventions (air-quality interventions or AQIs), using hypothetical endemic and pandemic pathogen archetypes with properties similar to SARS-CoV-2 and influenza, and evaluate how effects on key epidemiological metrics (such as annualized incidence and epidemic final size) depend on AQI coverage, efficacy and allocation strategy. At 20% AQI intervention coverage and 80% efficacy, annualized incidence was reduced by approximately 7.2% for an endemic 'SARS-CoV-2-like' respiratory virus, and 17.0% for an endemic 'influenza-like' virus; at 60% coverage (80% efficacy) the reductions were 26.3% and 56.4%, respectively. Targeting AQI installation to the highest-risk locations outperformed random allocation: for SARS-CoV-2-like transmission, 20% coverage at 80% efficacy cut absolute incidence by 10.8% when targeted versus 7.2% when random; for influenza-like transmission, this comparison was 28.9% versus 17.0%. In epidemic scenarios, random installation at 40% coverage and 60% efficacy reduced final size by 23.7% (influenza-like) versus 6.3% (SARS-CoV-2-like). These results support treating clean indoor air as core public-health infrastructure and prioritising risk-based deployment of IAQ-improving interventions to maximise population-level benefit within budgetary and operational constraints.

23.
arXiv (CS.LG) 2026-06-11

Annealed Entropic Allocation for Ranking and Selection

arXiv:2606.11347v1 Announce Type: cross Abstract: We propose Annealed Entropic Allocation, an annealed weighted soft-min framework for sequential budget allocation in ranking and selection. The central idea is to replace the non-smooth maximin large-deviation rate objective with a weighted log-sum-exp surrogate that aggregates challenger-specific pairwise scores through soft-min weights, mitigating hard switching when several challengers are nearly active. To improve finite-budget discrimination, we incorporate the saddlepoint approximation – a sub-exponential correction derived from refined pairwise tail asymptotics. Because these corrections are sub-exponential and the smoothing parameter is annealed to zero, the surrogate preserves the same first-order large-deviation target as the classical maximin formulation. We show that the surrogate converges uniformly to the hard minimum, that the soft-min weights concentrate on the active challengers, and that, under fixed weights, the induced target allocation map is continuous on the simplex interior. Numerical experiments on Gaussian and exponential instances demonstrate competitive performance, especially when multiple challengers are nearly tied.

24.
Nature Medicine 2026-06-15

Long-term independent use of an intracortical brain–computer interface for speech and cursor control

Brain–computer interfaces (BCIs) can provide naturalistic communication and digital access to people with severe paralysis by decoding neural activity associated with attempted speech and movement. Recent work has demonstrated highly accurate intracortical BCIs for speech and cursor control, but two critical capabilities needed for practical viability were unmet: independent at-home operation without researcher assistance and reliable long-term performance supporting accurate speech and cursor decoding. Here we demonstrate the independent and near-daily use of a multimodal BCI with novel brain-to-text speech and computer cursor decoders by a man with paralysis and severe dysarthria due to amyotrophic lateral sclerosis. Over nearly 2 years, the participant used the BCI for more than 3,800 h at home with no researchers present to maintain rich interpersonal communication with his family and friends, independently control his personal computer and sustain full-time employment—despite being paralyzed. He communicated 183,060 sentences—totaling 1,960,163 words—at an average rate of 56 words per minute. He labeled 92% of sentences as being decoded at least mostly correctly. In formal quantifications of performance where he was asked to say words presented on a screen, attempted speech was consistently decoded with more than 99% word accuracy (125,000 word vocabulary). The participant also used the speech BCI as keyboard input and the cursor BCI as mouse input to control his personal computer, enabling him to send text messages and emails and to browse the internet. These results demonstrate that intracortical BCIs have the potential to support independent use in the home, marking a critical step toward practical assistive technology for people with severe motor impairment. An automated intracortical brain–computer interface, used at home with no researcher intervention, provides long-term and accurate restoration of speech-based communication and cursor-based computer usage in a person with severe dysarthria due to amyotrophic lateral sclerosis.

25.
arXiv (CS.LG) 2026-06-11

DeepRHP: A Hybrid Variational Autoencoder for Designing Random Heteropolymers as Protein Mimics

arXiv:2606.11651v1 Announce Type: new Abstract: Synthetic random heteropolymers (RHPs), consisting of a predefined set of monomers, offer an approach toward the design of protein-like materials. These RHPs, if designed appropriately, can mimic protein behavior and function. As such, there is a need for computational tools to efficiently guide RHP design. We bridge this gap by developing DeepRHP, a modified variational autoencoder (VAE) model under a semi-supervised framework. By equipping a classical VAE with an additional feature-based VAE, DeepRHP forces the latent space to capture structures of critical chemical features as well as individual RHP sequence patterns. In this sense, our method is versatile by allowing any relevant features to be incorporated in a hybrid manner. We demonstrate the effectiveness of DeepRHP by suggesting potential monomer compositions that stabilize membrane proteins (e.g. Aquaporin Z) in non-native environments and cross-validating our prediction with published results. The concordance between our model and true RHP function suggests strong potential in utilizing hybrid autoencoder architectures to guide RHP design for proteins and other biological compounds.