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01.
arXiv (CS.CL) 2026-06-24

Neuro-Symbolic Drive: Rule-Grounded Faithful Reasoning for Driving VLAs

Driving VLA models incorporating Chain-of-Thought (CoT) reasoning are attractive because they leverage pretrained VLM representations and expose intermediate decisions in natural language, yet current rationales often lack the step-by-step decision semantics needed to keep the rationale causally connected to the planned motion. We introduce Neuro-Symbolic Drive, a neuro-symbolic driving framework that supervises a driving VLA with rule-grounded reasoning traces extracted directly from classical rule-based planners. Our key observation is that rule-based planners are symbolic AI systems that already function as executable reasoning engines: they reason about active safety constraints, search over candidate maneuvers, and select a final trajectory. We instrument these planners in simulation to capture both the executed trajectory and the internal decision trace at each rule-evaluation step. Each trace is serialized into structured rule-grounded reasoning and paired with the trajectory to fine-tune Qwen3.5-4B as a driving VLA. Because these traces are derived directly from the planner states that determine the action, they ensure reasoning is structurally coupled to motion generation by construction, rather than by post-hoc alignment. On our simulator-generated benchmark, detailed rule-grounded reasoning reduces ADE@3s from 0.47 to 0.26 and miss rate from 8.30% to 6.40% under three-camera perception, and from 0.54 to 0.26 and 10.13% to 5.99% under eight-camera perception. Neuro-Symbolic Drive thus converts neuro-symbolic planning logic into structured supervision. Code base: https://github.com/XiangboGaoBarry/Neural-Symbolic-Drive.

02.
arXiv (CS.LG) 2026-06-16

Single-Round Clustered Federated Learning via Data Collaboration Analysis for Non-IID Data

arXiv:2601.09304v2 Announce Type: replace Abstract: Federated Learning (FL) enables distributed learning across multiple clients without sharing raw data. When statistical heterogeneity across clients is severe, Clustered Federated Learning (CFL) can im-prove performance by grouping similar clients and training cluster-wise models. However, most CFL approaches rely on multiple communication rounds for cluster estimation and model updates, which limits their practicality under tight constraints on communication rounds. We propose Data Collaboration-based Clustered Federated Learning (DC-CFL), a single-round framework that completes both client clustering and cluster-wise learning, using only the information shared in DC analysis. DC-CFL quantifies inter-client similarity via total variation distance between label distributions, estimates clusters using hierarchical clustering, and performs cluster-wise learning via DC analysis. Experiments on multiple open datasets under representative non-IID conditions show that DC-CFL achieves accuracy comparable to multi-round baselines while requiring only one communication round. These results indicate that DC-CFL is a practical alternative for collaborative AI model development when multiple communication rounds are impractical. Our source code is publicly available at https://github.com/souta-suga/DC-CFL.

03.
arXiv (quant-ph) 2026-06-16

Degeneracy Cannot Violate the Quantum Hamming Bound

arXiv:2606.15558v1 Announce Type: new Abstract: The quantum Hamming bound is the standard finite-length sphere-packing bound for exact correction of arbitrary qubit errors. Whether degeneracy can evade this bound has remained unresolved in full generality for nearly three decades: distinct correctable errors may act identically on the code space, so the usual disjoint-sphere argument breaks down. We prove that every exact binary quantum subspace code with $K>1$ obeys the bound, without assuming either nondegeneracy or additivity. Our proof turns the Li–Xing linear-programming polynomial into an exact intersection count for quaternary Hamming balls. Monotonicity in block length and in ball-center separation then reduces the problem to a local node–edge charging inequality at the shortest admissible length. Thus degeneracy can merge correctable error sectors, but cannot enlarge the finite-length binary Hamming bound.

04.
medRxiv (Medicine) 2026-06-15

Beyond the Apnea-Hypopnea Index: Physiological and Demographic Predictors of Excessive Daytime Sleepiness in Obstructive Sleep Apnea

Excessive daytime sleepiness (EDS) is a common but inconsistently predicted symptom of obstructive sleep apnea (OSA). OSA is typically diagnosed with polysomnography (PSG), and the current standard for severity assessment is the apnea-hypopnea index (AHI). AHI has many limitations, including its inability to explain physiological mechanisms or reflect variability in patient symptoms, such as EDS. This retrospective study aims to find physiological and demographic parameters that better predict EDS in patients with OSA and to evaluate whether these parameters outperform AHI using PSG data from the Mount Sinai Integrative Sleep Center. Clinical variables used to predict EDS included arousal index (AI), average oxygen desaturation during sleep, average heart rate during sleep, and AHI, along with demographic variables including age, sex, and BMI. Hypothesis tests, logistic regression models, and decision tree classifier models were performed on the data to discriminate sleepy from nonsleepy patients as determined by an Epworth Sleepiness Scale (ESS) score [≥] 10. AI and oxygen desaturation were found to be the most predictive physiological variables, and sex and BMI were found to be the most predictive demographic variables. The final decision tree model with these four variables outperformed the AHI in predicting EDS. These findings suggest that daytime sleepiness in OSA can be better explained by measures of apnea burden, oxygenation impairment, and patient demographics than by AHI alone, although these remain only modestly predictive. Future studies should focus on investigating more comprehensive physiological markers, multi-night sleep data, and more objective assessments of sleepiness.

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

Evaluating Second-Order Bias of LLMs Through Epistemic Entitlement

Evaluations of social bias in LLMs largely focus on whether models generate or imply biased content. However, as LLMs are increasingly used as judges of bias, they may exhibit social biases in subtler ways in how they evaluate biased content, which current methods do not systematically capture. We call this second-order bias: social bias in an LLM's judgment about social bias, which we evaluate through a novel, philosophically grounded reasoning task. Drawing on entitlement epistemology, we conceptualize bias as misplaced foundational knowledge that shapes an agent's rational inquiry, and derive a logical reasoning task for LLMs to judge to whom a biased text is acceptable or non-acceptable. We develop two simple metrics to measure how biased LLM judges are in inferring demographics for acceptability without sufficient support, and how these inferences vary across groups targeted by biased texts. Evaluating open and closed models, we find that our task evades safety guardrails by surfacing bias in model judgment. It varies systematically across target groups, reflects implicit social maps, and shows how models are still triggered by demographic labels. Our work points to the need for LLM bias evaluation in judgment tasks and broadly, for more theoretically grounded approaches to bias evaluation in NLP. We release our code and model responses at https://github.com/uofthcdslab/second-order-bias.

06.
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.

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

A Tool for the Synthesis of Adaptive Probabilistic Processors Based on the Ising Model

arXiv:2606.19533v1 Announce Type: cross Abstract: This work presents a tool for the synthesis and simulation of probabilistic architectures for solving combinatorial optimization problems by mapping them to the Ising model. The proposed approach automatically constructs the Ising Hamiltonian and determines the number of probabilistic elements (p-bits) based on problem characteristics such as size and topology. Furthermore, the tool introduces an adaptive strategy for selecting the most suitable update algorithm among Gibbs Sampling, Simulated Annealing (SA), Simulated Quantum Annealing (SQA), and cluster-based methods. Experimental results using benchmark problems demonstrate improved convergence behavior and flexibility compared to fixed approaches. The proposed framework enables systematic evaluation of probabilistic computing strategies and supports the development of future hardware implementations based on MTJs and p-bits.

08.
medRxiv (Medicine) 2026-06-12

Sociodemographic and health correlates of reimbursement authorizations for cannabis for medical purposes in Canadian veterans: A cross-sectional study linking the Life After Services Studies 2019 and Health Administrative Databases

Background Evidence on factors associated with cannabis for medical purposes (CMP) authorizations among Veterans Affairs Canada (VAC) clients remains limited and inconsistent, particularly concerning mental health and posttraumatic stress disorder (PTSD), a leading indication for use. We investigated demographic, clinical and service characteristics associated with VAC authorizations for CMP reimbursement. Method We linked VAC administrative CMP program data with responses from the 2019 Life After Services Studies cross-sectional survey of Regular Force veterans released between 1998 and 2018. Multivariable logistic regressions examined associations between CMP reimbursement (yes/no) and demographic, clinical and well-being factors, with analyses stratified by PTSD status. Results Among 1,289 respondents (weighted n=33,131), 18.4% were authorized for CMP reimbursement. Younger age (

09.
arXiv (CS.LG) 2026-06-11

Analytic Bijections for Smooth and Interpretable Normalizing Flows

arXiv:2601.10774v2 Announce Type: replace Abstract: A key challenge in normalizing flows is finding expressive invertible scalar bijections. Existing approaches face trade-offs: affine transformations are smooth and analytically invertible but lack expressivity; monotonic splines offer local control but are only piecewise smooth and act on bounded domains; residual flows achieve smoothness but need numerical inversion. We introduce three families of analytic bijections that are globally smooth ($C^\infty$), defined on all of $\mathbb{R}$, and analytically invertible in closed form, combining the favorable properties of prior approaches. Beyond serving as drop-in replacements in coupling flows, where they match or exceed spline performance, we develop radial flows: a novel architecture using direct parametrization that transforms the radial coordinate while preserving angular direction. Radial flows exhibit exceptional training stability, produce geometrically interpretable transformations, and on targets with radial structure can achieve comparable quality to coupling flows with $1000\times$ fewer parameters. We provide comprehensive evaluation on 1D and 2D benchmarks, and demonstrate applicability to higher-dimensional physics problems through experiments on $\phi^4$ lattice field theory, where our bijections outperform affine baselines and enable problem-specific designs that address mode collapse.

10.
arXiv (CS.AI) 2026-06-19

MakeupMirror: Improving Facial Attribute Preservation in Diffusion Models for Makeup Transfer

arXiv:2606.20094v1 Announce Type: cross Abstract: Makeup transfer models enable fun augmented reality (AR) experiences as well as virtual try-on (VTO) for online makeup shopping. While recent state-of-the-art diffusion based solutions such as Stable-Makeup dramatically improve the accuracy and realism of makeup transfer, they still face limitations in identity and skin color preservation, making production-level VTO for makeup shopping unrealistic. In this work, we propose MakeupMirror, a diffusion-based approach to makeup transfer that makes significant progress towards preserving facial features and skin tone. We introduce several technical innovations over Stable-Makeup: (1) integration of facial geometry conditioning with ControlNets to maintain facial fidelity; (2) region-specific makeup transfer control to enable precise makeup application across facial regions such as skin, eyes and lips; (3) skin tone-based makeup transfer modulation that prevent skin tone alteration in cross-subject transfer scenarios; and (4) integration of a Levenberg-Marquardt Langevin sampler to speed up inference while maintaining generation quality. Our experiments on CPM-Real, Makeup Wild, and (herein newly collected, more diverse) MakeupSelfies datasets show that MakeupMirror improves relative facial recognition similarity by +60%, reduces relative skin tone difference by -50% over Stable-Makeup, with a latency of 0.7s, while achieving expert acceptance rate of 94% across core facial identity preservation criteria.

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

SciText2Eq: Assessing LLMs for Explainable Equation Generation for Scientific Creativity

arXiv:2606.16003v1 Announce Type: new Abstract: This work investigates the ability of large language models (LLMs) to generate mathematical equations from scientific texts. Prior work faces challenges in unstructured grounding, multi-equation dependency, and humanaligned evaluation. To this end, we construct a dataset of AI research papers, pairing contextual passages with ground-truth equations and variable descriptions. We develop an explainable equation generation workflow and evaluate it across diverse open- and closed-source LLM backbones. We introduce an evaluation protocol combining automatic metrics, LLM-based rubrics, and human judgments to assess accuracy, explainability, and human-LLM alignment. Results indicate that LLMs perform moderately on lexical- and syntactic-based similarity, while struggling with semantic accuracy. Comparisons between LLM-based evaluations and human judgments reveal limited alignment, highlighting challenges in using LLMs to assess equation quality. These findings offer insights for improving equation generation models and developing more reliable evaluation methods for scientific text. We provide code and data for reproducibility.

12.
arXiv (CS.CL) 2026-06-24

MedBench v5: A Dynamic, Process-Oriented, and Hallucination-Aware Benchmark for Clinical Multimodal Models

Existing medical AI benchmarks lack process visibility, atomic skill evaluation, and integrated hallucination detection. We introduce MedBench v5, a redesigned benchmark for clinical multimodal models (language, vision-language, and agent systems) that moves from static QA to dynamic, process-oriented evaluation. MedBench v5 features: (1) a dual-dimensional framework combining Clinical Cognitive Responsiveness (14 sub-dimensions) and Medical Atomic Skills (4 agent environments), covering 63 tasks; (2) three switchable information-flow stressors (omission, contradiction, evidence delay) for factorized degradation analysis; (3) a dynamic process audit protocol with five reasoning nodes that produces model-specific failure fingerprints; (4) hallucination propagation monitoring across initiation, propagation, anchoring, and contradiction interaction-capturing silent hallucination. Experiments on frontier models show that strong overall task performance does not guarantee process stability: stressors mainly disrupt contradiction detection, diagnosis updating, hallucination propagation, and contradiction-based self-correction, while final evidence grounding can remain superficially stable. MedBench v5 provides a unified infrastructure for capability profiling, controllable stress testing, process auditing, and hallucination trajectory analysis in clinical AI evaluation.

13.
arXiv (CS.CV) 2026-06-25

1000 Rallies: An Event-Camera Dataset and Real-Time Learned Ball-State Estimation for Robotic Table Tennis

Robotic table tennis has emerged as a compelling benchmark for real-time robotic perception due to its fast ball dynamics and stringent timing requirements. Accurate, high-frequency, and low-latency ball state estimation is critical for reliable trajectory prediction and timely control. Traditional frame-based cameras face an inherent trade-off: low frame rates leave temporal blind spots that miss fast-moving objects and high frame rates raise data and computational cost. Event cameras instead offer microsecond temporal resolution and, under sufficient illumination, remain largely free of motion blur even at high ball speeds. However, the community lacks large-scale datasets to develop and benchmark event-based perception in realistic sports scenarios. We address this gap by introducing the first large-scale event-camera dataset for table tennis, comprising over 1000 rallies from a diverse group of players ranging from amateurs to elite-level athletes. Each recording captures the event stream alongside 14 synchronized high-speed frame-based cameras at 200 FPS, which we use to produce 1 kHz pseudo ground-truth labels for ball position, velocity, and spin. Building on this dataset, we train a convolutional neural network robust to background player motion that jointly estimates the ball's position and velocity in the image-plane from events. Treating the predicted velocity as an additional measurement in the Kalman filter reduces bounce-point prediction error by 36% relative to a position-only baseline. Finally, we close the perception-action loop by integrating the event-based system with a Stäubli robotic arm, enabling the first real-time human-robot table tennis rallies driven by event-based perception.

14.
arXiv (CS.LG) 2026-06-25

PERTINENCE: Input-based Opportunistic Neural Network Dynamic Execution

arXiv:2507.01695v3 Announce Type: replace Abstract: Deep neural networks (DNNs) are widely used for their ability to model complex patterns across domains such as computer vision, speech recognition, and robotics. However, larger models, while often more accurate, are computationally expensive and energy-intensive. Since such a cost is typically needed only for challenging inputs, dynamically selecting lighter models for simpler inputs can improve efficiency with minimal impact on accuracy. We introduce PERTINENCE, a runtime method that selects, from a set of pre-trained models, the lightest model likely to process each input correctly. An ML-based dispatcher performs this selection, and a genetic algorithm explores dispatcher training strategies to identify Pareto-optimal trade-offs between accuracy and computational cost. We evaluate PERTINENCE on CNNs trained on CIFAR-10 and CIFAR-100, ViTs trained on TinyImageNet, and a YOLO-based road occupancy estimation application using real-time intersection camera feeds. Results show that PERTINENCE matches or improves the accuracy of state-of-the-art pre-trained models while reducing operations by up to 36%, with equivalent or lower end-to-end inference time through tunable invocation intervals.

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

Beyond the Autoregressive Horizon: A Comprehensive Survey of Diffusion Models, World Modelling, and State Space Models for Code

arXiv:2606.23690v1 Announce Type: cross Abstract: Autoregressive (AR) language models have driven significant progress in automated software engineering, enabling powerful code generation and assistance systems. However, the next-token prediction paradigm introduces structural limitations for code reasoning, including restricted global planning, challenges in maintaining long-range dependencies, and limited grounding in program execution semantics. Noting the heavy skewness of existing literature towards AR models, we discuss emerging paradigms that could potentially overcome the logic and scaling bottlenecks of next-token prediction by unlocking next-generation architectural capabilities for code intelligence. Specifically, we discuss the potential of Diffusion Models, which generate code via holistic denoising that captures long-range syntactic constraints often missed by AR models. We also discuss Code World Models (CWMs), which simulate execution states to support reasoning, and State Space Models (SSMs), which provide linear-time efficiency for massive contexts. By connecting these developments with findings from cognitive neuroscience, we outline directions for developing "System 2" code generation agents.

17.
arXiv (CS.CV) 2026-06-25

HUGE-Bench: A Benchmark for High-Level UAV Vision-Language-Action Tasks

Existing UAV vision-language navigation (VLN) benchmarks have enabled language-guided flight, but they largely focus on long, step-wise route descriptions with goal-centric evaluation, making them less diagnostic for real operations where brief, high-level commands must be grounded into safe multi-stage behaviors. We present HUGE-Bench, a benchmark for High-Level UAV Vision-Language-Action (HL-VLA) tasks that tests whether an agent can interpret concise language and execute complex, process-oriented trajectories with safety awareness. HUGE-Bench comprises 4 real-world digital twin scenes, 8 high-level tasks, and 2.56M meters of trajectories, and is built on an aligned 3D Gaussian Splatting (3DGS)-Mesh representation that combines photorealistic rendering with collision-capable geometry for scalable generation and collision-aware evaluation. We introduce process-oriented and collision-aware metrics to assess process fidelity, terminal accuracy, and safety. Experiments on representative state-of-the-art VLA models reveal significant gaps in high-level semantic completion and safe execution, highlighting HUGE-Bench as a diagnostic testbed for high-level UAV autonomy.

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

Exploiting Search in Symbolic Numeric Planning with Patterns

arXiv:2606.16329v1 Announce Type: new Abstract: In this paper, we present a procedure for numeric planning based on Symbolic Pattern Planning (SPP). Given a numeric planning problem $\Pi$, a pattern $\prec$ is a sequence of actions used to define a formula encoding the subsequences of $\prec$ executable from a starting state $S$. Cardellini, Giunchiglia, and Maratea (2024a) follow the Planning as Satisfiability approach by defining, at each step $n \ge 0$, a formula $\Pi^\prec_n$ in which $(i)$ the pattern $\prec$ is computed only for $n=0$ in the initial state $I$ of $\Pi$, and then exploited at each step $n$, $(ii)$ the starting state $S$ is set to $I$, and $(iii)$ the set $G$ of goals is required to hold in the last state that can be reached by one of the subsequences of $\prec$ concatenated $n$ times. The procedure begins with $n=0$, terminates as soon as $\Pi^\prec_n$ is satisfiable, and otherwise proceeds by incrementing $n$. In this paper, possibly at each step, $(i)$ we symbolically search for an intermediate state $P$ reachable from $I$, closer to a goal state, $(ii)$ dynamically recompute the pattern $\prec_h$ – to be used in the next step – in $P$, $(iii)$ refine the pattern $\prec_g$ used to reach $P$, and $(iv)$ start the new search from the state $S$ which can be either the initial state $I$ or the last computed intermediate state $P$, exploiting the computed patterns $\prec_g$ and $\prec_h$ to define the pattern $\prec$ to be used in the search. In particular, at each step, we define a formula $\Pi^{\prec}_{S,P}$ encoding the existence of a state $P'$ closer than $P$ to a goal state, with $P'$ reachable from the starting state $S$ when using the pattern $\prec$. We present different techniques for producing such formulas, each corresponding to a different strategy for exploring the search space. We prove their correctness and completeness, the latter under certain conditions.

19.
arXiv (CS.AI) 2026-06-24

ReMMD: Realistic Multilingual Multi-Image Agentic Verification for Multimodal Misinformation Detection

arXiv:2606.24112v1 Announce Type: new Abstract: Multimodal misinformation detection is increasingly important because viral posts now combine long multilingual narratives, several images, mixed provenance, and subtle text–image framing errors. Existing benchmarks and methods remain poorly matched to this setting: they usually isolate short captions, single images, binary labels, or one manipulation source, while agentic verification remains costly under realistic evidence search. We present ReMMD, a realistic multilingual multi-image agentic verification framework for multimodal misinformation detection. ReMMD includes ReMMDBench, a real-world multimodal misinformation detection benchmark with 500 samples, 2,756 images, five monolingual languages, two cross-lingual settings, three text-length tiers, multi-image posts, five-way veracity labels, eight distortion labels, evidence provenance, and rationales. It also includes ReMMD-Agent, a persistent-memory verifier that decomposes posts into atomic points, builds a reusable evidence set, and predicts structured L1/L2/L3 outputs. Across proprietary systems, open LVLMs, MMD-Agent, and T2-Agent, ReMMD-Agent obtains the best five-way veracity performance, with 41.80% accuracy and 39.12% macro-F1 using GPT-5.2, while reducing cost by 17.5% relative to MMD-Agent and 79.9% relative to T2-Agent. The project is available at https://dang-ai.github.io/ReMMD.

20.
arXiv (CS.LG) 2026-06-16

Constraining the outputs of ReLU neural networks

arXiv:2508.03867v2 Announce Type: replace-cross Abstract: We introduce a class of algebraic varieties naturally associated with ReLU neural networks, arising from the piecewise linear structure of their outputs across activation regions in input space, and the piecewise multilinear structure in parameter space. By analyzing the rank constraints on the network outputs within each activation region, we derive polynomial equations that characterize the functions representable by the network. We further investigate conditions under which these varieties attain their expected dimension, providing insight into the expressive and structural properties of ReLU networks.

21.
arXiv (CS.AI) 2026-06-15

Sorries Are Not the Hard Part: An Expert-Review Case Study of a Semi-Autonomous Formalization

arXiv:2606.13925v1 Announce Type: new Abstract: Large language models can often close proof gaps in interactive theorem provers, but a verified theorem is not the same thing as a reusable library contribution. We study this distinction through a detailed case study: a semi-autonomous formalization of Grothendieck's vanishing theorem. The initial version compiles with no sorries, but an expert review found serious problems in definitions, theorem generality, file organization, and the API. We then ran a review-driven refactor and compression process and obtained a second expert review. The before-and-after comparison shows a sharp split: agents adapted well to local, mechanically checkable feedback, but remained weak at choosing definitions and designing APIs. We argue that autoformalization should be evaluated not only by closed sorries, but by whether the resulting formalization survives expert review.

23.
arXiv (CS.AI) 2026-06-16

MR-GVNO: A Geometry-Aware Variational Physics-Informed Neural Operator for Mindlin-Reissner Plates on Irregular Domains

arXiv:2606.16624v1 Announce Type: new Abstract: Plate and shell structures are widely used in engineering, making rapid response prediction under varying geometries, materials, and loads highly desirable. However, conventional finite element methods require repeated modeling and solution, resulting in high computational costs. This study proposes a geometry-aware variational neural operator for Mindlin-Reissner plate problems, termed MR-GVNO. The method uses boundary point clouds to represent irregular geometries and employs separate encoders for spatially varying material fields, pressure loads, and scalar physical parameters. A cross-attention mechanism integrates these inputs with query point information to predict transverse deflections and rotations at arbitrary locations. MR-GVNO is trained without labeled solution data using a variational physics-informed loss derived from the discretized total potential energy. It directly processes irregular point clouds and allows different physical fields to be discretized independently, avoiding interpolation onto a common grid. Numerical experiments on single-hole, double-hole, and L-shaped plates demonstrate accurate response prediction under homogeneous and heterogeneous materials and uniform and random loads. The model also achieves millisecond-level full-field inference and favorable cross-geometry generalization.

24.
bioRxiv (Bioinfo) 2026-06-13

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

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

25.
arXiv (CS.CV) 2026-06-18

Structured Spectral Graph Representation Learning for Multi-label Abnormality Analysis from 3D CT Scans

With the growing volume of CT examinations, there is an increasing demand for automated tools such as organ segmentation, abnormality detection, and report generation to support radiologists in managing their clinical workload. Multi-label classification of 3D Chest CT scans remains a critical yet challenging problem due to the complex spatial relationships inherent in volumetric data and the wide variability of abnormalities. Existing methods based on 3D convolutional neural networks struggle to capture long-range dependencies, while Vision Transformers often require extensive pre-training on large-scale, domain-specific datasets to perform competitively. In this work, we propose a 2.5D alternative by introducing a new graph-based framework that represents 3D CT volumes as structured graphs, where axial slice triplets serve as nodes processed through spectral graph convolution, enabling the model to reason over inter-slice dependencies while maintaining complexity compatible with clinical deployment. Our method, trained and evaluated on 3 datasets from independent institutions, achieves strong cross-dataset generalization, and shows competitive performance compared to state-of-the-art visual encoders. We further conduct comprehensive ablation studies to evaluate the impact of various aggregation strategies, edge-weighting schemes, and graph connectivity patterns. Additionally, we demonstrate the broader applicability of our approach through transfer experiments on automated radiology report generation and abdominal CT data.