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01.
arXiv (CS.AI) 2026-06-17

Blueprint First, Model Second: A Framework for Deterministic LLM Workflow

arXiv:2508.02721v2 Announce Type: replace-cross Abstract: While powerful, the inherent non-determinism of large language model (LLM) agents limits their application in structured operational environments where procedural fidelity and predictable execution are strict requirements. This limitation stems from current architectures that conflate probabilistic, high-level planning with low-level action execution within a single generative process. To address this, we introduce the \textsc{Source Code Agent} framework, a new paradigm built on the ``Blueprint First, Model Second'' philosophy that decouples workflow logic from the generative model. An expert-defined operational procedure is first codified into a source code-based Execution Blueprint, which is then executed by a deterministic engine. The LLM is strategically invoked as a specialized tool to handle bounded, complex sub-tasks within the workflow, but never to decide the workflow's path. We evaluate on the TravelPlanner benchmark for constraint-aware travel planning. The \textsc{Source Code Agent} achieves a 35.56\% final pass rate, a 97.6\% improvement over the state-of-the-art ATLAS baseline (18.00\%) on the same Claude-Sonnet-4 backbone. Critically, it reduces constraint violations by 96.0\% (11 vs 275) while improving execution efficiency by 27.1\% (10.2$\pm$0.7 steps vs 14.0). Two production incident-diagnosis deployments and additional results on ScienceWorld and ALFWorld confirm that the architecture transfers beyond travel planning to procedurally well-defined, constraint-intensive workflows. Our work enables the verifiable and reliable deployment of autonomous agents in applications governed by strict procedural logic.

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

RQUL-UIE: Revitalizing Quality-Unstable Labels for Underwater Image Enhancement via In-Dataset Self-Supervision

Underwater Image Enhancement (UIE) is essential for mitigating degradations caused by water medium. Although learning-based methods have advanced significantly, most rely on paired datasets with unstable label quality, which bottlenecks model performance. This paper proposes a diffusion-based, in-dataset self-supervised learning strategy designed to exploit the quality distribution of training labels. Specifically, we evaluate label quality via semantic perception embeddings from a pre-trained diffusion model in a training-free manner. These quality scores are subsequently quantized into noise-level indices, guiding a multi-step denoising process for level-wise supervision. This mechanism prevents low-quality labels from degrading the model while maximizing their utility during training. Furthermore, a Fourier-based refinement network is incorporated to explicitly reconstruct high-frequency components. Extensive evaluations demonstrate that our method consistently outperforms SOTA approaches in restoration quality. The code and pre-trained model will be available once accepted in link.

03.
arXiv (CS.CV) 2026-06-12

Camera and LiDAR BEV Fusion for Cooperative 3D Object Detection on TUMTraf V2X

We describe a Camera and LiDAR fusion detector developed for the TUMTraf V2X cooperative 3D object detection track of the DriveX 2026 challenge. The detector fuses three roadside cameras with a fused infrastructure-plus-vehicle point cloud in a shared bird's-eye-view space and predicts boxes through a CenterPoint-style head with a generalized IoU regression loss and an IoU quality re-ranking head. Trained on the provided train and validation splits, the model reaches a 3D mAP of 0.85 on the public Codabench test split. While iterating on the system, we observed that 44 of the 50 test frames are also present in the released train (40) and validation (4) splits with their labels. We therefore conducted two additional studies to quantify how this overlap affects the final score: (1) a finetuning run that oversamples the 44 overlapping frames, reaching 0.89 mAP, and (2) a post-processing run that replaces predictions on those frames with the released ground truth, reaching 0.99 mAP (uploaded to our Codabench account for testing but not published on the leaderboard). All three configurations and their per-class results are reported.

04.
arXiv (quant-ph) 2026-06-19

Steady-state entanglement of spin qubits mediated by nonreciprocal and chiral magnons

arXiv:2509.13094v3 Announce Type: replace Abstract: We propose a hybrid quantum system in which a magnet supporting non-reciprocal magnons, chiral magnons, or both mediates the dissipative and unidirectional coupling of spin qubits. By driving the qubits, the steady state of this qubit-qubit coupling scheme becomes the maximally entangled Bell state. We devise a protocol where the system converges to this entangled state and benchmark it including qubit decay and dephasing. The protocol is numerically tested on a hybrid system consisting of nitrogen-vacancy (NV) centers coupled to magnon surface modes of an yttrium iron garnet (YIG) film. We show that the dephasing time of the NV centers forms the bottleneck for achieving the entanglement of NV centers separated by a distance within the magnon coherence length. Our findings identify the key technological requirements and demonstrate a viable route toward steady-state entanglement of solid-state spins over distances of several microns using magnonic quantum networks, expanding the toolbox of magnonics for quantum information purposes.

05.
arXiv (CS.AI) 2026-06-19

VitalAgent: A Tool-Augmented Agent for Reactive and Proactive Physiological Monitoring over Wearable Health Data

arXiv:2605.29483v2 Announce Type: replace Abstract: Wearable devices enable continuous monitoring of physiological signals such as ECG and PPG, but existing mHealth systems are largely limited to task-specific prediction pipelines or reactive question answering over static summaries. They lack the ability to support temporal reasoning, persistent physiological context, and proactive monitoring over long-term signal streams. We propose VitalAgent, a tool-augmented agentic framework for ECG/PPG-based mHealth that supports both reactive question answering and proactive monitoring. VitalAgent is built on a longitudinal physiological memory and a tool-augmented reasoning interface that enables dynamic computation over raw signals. We further introduce VitalBench, a longitudinal physiological monitoring benchmark dataset comprising 1,862 QA pairs for reactive question answering and 90.2 hours of continuous ECG/PPG recordings for proactive monitoring, covering cardiac, physical activity, and stress-related tasks. Experiments demonstrate that VitalAgent achieves over 25% improvement over prompt-based and ReAct baselines in reactive evaluation and supports proactive alert monitoring over long-term physiological signals, highlighting the importance of dynamic tool use and long-term physiological monitoring.

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

DN-Hypo-Pipeline: An AI-Driven Workflow for Hypothesis Generation via Large Language Models and Scientific Explanations

arXiv:2606.08532v2 Announce Type: replace Abstract: A scientific hypothesis is the first step in research and undergoes experimental validation, yet it also reflects a deep understanding of and reasoning about scientific phenomena. We introduce DN-Hypo-Pipeline, an AI-powered workflow based on large language models, designed to support structured scientific thinking and hypothesis generation by leveraging scientific explanations as prior knowledge. This pipeline assists researchers in deriving novel hypotheses from existing literature. Given the explanandum (i.e., the conclusion) of a research paper, it identifies underlying laws, theories, and principles, and reconstructs a new, yet-to-be-verified explanation for the observed phenomenon. We evaluated DN-Hypo-Pipeline in the field of data science modeling using three highly cited papers. Statistical inference, supported by both LLM-as-judge assessment and human expert evaluation, demonstrates that our pipeline is more effective than direct generation methods. Additionally, we validated the two highest-scoring generated hypotheses by developing corresponding novel algorithms, which outperformed the baseline models presented in the original papers. Beyond application in data science, DN-Hypo-Pipeline provides a theoretical framework that not only encompasses theory-guided data science modeling methods but also reveals a more fundamental structure of the modeling process. Moreover, this approach is essentially a generalization of theory-guided modeling, offering potential for extension to other domains and across a broader range of scientific disciplines.

07.
arXiv (CS.CV) 2026-06-12

Point-Wise Geometry-Aware Transformer for Partial-to-Full Point Cloud Registration in Computer-Assisted Surgery

Partial-to-full registration remains challenging due to varying overlap ratios, fluctuating point densities, and the presence of noise. While transformers have shown strong potential for point cloud processing, prior methods typically confine them to global context aggregation, overlooking fine-grained local geometry crucial for accurate correspondence. We propose GAPR-Net, a learning-based point cloud registration framework with a coarse-to-fine architecture that combines convolution and transformer modules, in which local and global information is fused between the partial and full point clouds using a cross-attention mechanism. To achieve this, a transformation-invariant point-wise geometric feature representation is proposed, which can robustly capture relative geometric features for individual points with respect to their neighboring points. To evaluate the effectiveness of the proposed approach, experiments are conducted on four geometrically distinct bones, including the tibia, femur, pelvis, and thoracic cartilage. The overall registration recall reaches 94.2\%, the method results in a low RMSE of 1.992 mm and $R^2$ values of 0.908 and 0.974 for rotation and translation, respectively. The results demonstrate that the proposed method effectively addresses the partial-to-full point cloud registration problem. The proposed method enables highly accurate 3D point cloud registration using partial observation, providing a critical foundation for precise surgical navigation and robotic interventions in computer-assisted surgery. The code will be accessed after the double-blind review process.

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

On the Role of Computation in Reinforcement Learning

arXiv:2602.05999v3 Announce Type: replace Abstract: How does the amount of compute available to a reinforcement learning (RL) policy affect its learning? Can policies using a fixed amount of parameters, still benefit from additional compute? The standard RL framework does not provide a language to answer these questions formally. Empirically, deep RL policies are often parameterized as neural networks with static architectures, conflating the amount of compute and the number of parameters. In this paper, we formalize compute bounded policies and prove that policies which use more compute can solve problems and generalize to longer-horizon tasks that are outside the scope of policies with less compute. Building on prior work in algorithmic learning and model-free planning, we propose a minimal architecture that can use a variable amount of compute. Our experiments complement our theory. On a set 31 different tasks spanning online and offline RL, we show that $(1)$ this architecture achieves stronger performance simply by using more compute, and $(2)$ stronger generalization on longer-horizon test tasks compared to standard feedforward networks or deep residual network using up to 5 times more parameters.

09.
arXiv (CS.AI) 2026-06-12

Two-Layer Linear Auto-Regressive Models Estimate Latent States

arXiv:2606.12691v1 Announce Type: cross Abstract: Auto-regressive models have emerged as powerful tools for sequential data, from language to video. Understanding how and why these models learn latent representations remains an open theoretical question. In this work, we demonstrate that when trained by empirical risk minimization on data from partially observed linear dynamical systems, two-layer linear auto-regressive models naturally learn to approximate Kalman filtering. In particular, we show that the learned hidden representation coincides, up to a similarity transformation, with the state estimates produced by the optimal (Kalman) filter, even though the model has no explicit knowledge of the underlying dynamics or state. The result follows from three main insights. First, we establish that the Kalman filter is well approximated by an auto-regressive model with bounded truncation error. Second, we show that despite non-convexity, the two-layer optimization landscape is benign, i.e., all stationary points are either strict saddles or global minima. Finally, as our main contributions, we provide finite-sample guarantees on prediction error, parameter estimation error, and latent state recovery. Numerical simulations support the theoretical results and demonstrate that the latent representations of auto-regressive models recover state estimates.

10.
arXiv (CS.CV) 2026-06-15

GMN4AD: Graph Matching Network for Alzheimer's Disease Diagnosis with Test-Time Domain Adaptation using Multi-centered Structure Magnetic Resonance Imaging

Alzheimer's Disease (AD) is a progressive neurodegenerative disorder that affects millions of older adults, with prevalence expected to rise significantly in the coming years. Early diagnosis, particularly during the mild cognitive impairment (MCI) stage, is critical for timely intervention. Structural Magnetic Resonance Imaging (sMRI) has emerged as a key modality for detecting AD-related brain changes, but traditional graph-based approaches often struggle with modality and inter-site heterogeneity, limiting diagnostic performance. In this paper, we propose Graph Matching Network for Alzheimer's Disease Diagnosis (GMN4AD), designed to model interactions between heterogeneous brain graphs derived from neuroimaging data. Unlike conventional methods that treat each brain graph independently, GMN4AD leverages graph matching to capture cross-graph relationships, enhancing diagnostic precision. Furthermore, we introduce a test-time domain adaptation strategy that combines contrastive learning to mitigate domain shifts during inference. Extensive experiments on three public AD datasets demonstrate that GMN4AD achieves superior performance compared to state-of-the-art methods, offering a robust and generalizable solution for AD diagnosis.

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

Communication-Efficient Neural Tangent Kernels for Heterogeneous Decentralized Federated Learning

作者:

arXiv:2512.12737v2 Announce Type: replace Abstract: Decentralized federated learning (DFL) enables collaborative model training without a central server, but converges slowly under statistical heterogeneity. Recent work has shown that neural tangent kernel (NTK) methods achieve faster convergence than gradient-based updates in DFL, while momentum has proven effective for accelerating gradient-based FL. However, applying momentum to NTK updates can destabilize training under heterogeneous data. We propose SPARK, which addresses this instability with a stage-wise annealed soft-label regularizer evaluated on neighborhood-aggregated data, so that momentum can accelerate NTK updates stably. Under high heterogeneity, SPARK converges about 3$\times$ faster than baselines and lowers the total communication to a target accuracy by up to about 70\%, and it attains higher accuracy across heterogeneity levels. We further study random projection as an optional Jacobian-compression strategy for bandwidth-constrained settings. We validate the approach across multiple datasets, network topologies, and heterogeneity levels.

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

Graph neural networks at war: integrating cybersecurity and drone intelligence in the Israeli-Iranian conflict

arXiv:2606.17119v1 Announce Type: cross Abstract: Physical cyber systems have brought about new threats and challenges in detection and immediate response. This study examines how Graph Neural Networks (GNNs) can be used to aid cybersecurity and drone management in a physical cyber system comprising of cyber intrusions and unmanned aerial vehicles (UAVs). By providing a bridge between structural understanding of graphical neural networks, this work has provided an integrated procedure that allows intrusion detection systems to educate on underlying network structures, identify malicious activity, and facilitates drone response measures. Based on an emulation-based case study, cyberattacks models were created to provoke the responses of the drones, which proved that graph-based learning can assist with the situational awareness, swarm coordination, and adaptive maneuver. According to the performance valuation, this method has a detection rate of 94.2, average area under the receiver operating characteristic (ROC) of 0.955 and an average response time of 1.4 seconds. Comparative experiments reveal that proposed GraphSAGE network is more effective than the Graphical Convolutional Networks (GCNs) and Graphical Attention Networks (GATs) in the identical situation. Such findings prove that graphical neural networks can be used to avert intrusion and response of dynamic cyber-physical systems.

13.
Nature (Science) 2026-06-22

Cancer cells adopt unprecedented strategies to produce a molecule that protects them from iron-dependent death

The finding that spermine molecules in cells bind to iron to prevent it unleashing ferroptosis, a type of cell death, opens up strategies for treating tissue damage and cancer. The finding that spermine molecules in cells bind to iron to prevent it unleashing ferroptosis, a type of cell death, opens up strategies for treating tissue damage and cancer.

14.
Nature Medicine 2026-06-15

Adaptive deep brain stimulation for dynamic gait control in Parkinson’s disease: a randomized feasibility trial

A randomized crossover study of five patients with Parkinson’s disease (PD) demonstrates that gait-synchronized adaptive deep brain stimulation is feasible and safe, and reduces falls compared with continuous stimulation. Gait dysfunction in PD is a major source of disability and is often insufficiently treated by continuous deep brain stimulation (cDBS). Although adaptive DBS (aDBS) has shown efficacy for other motor symptoms using β-based, state-driven neural signals, gait is a dynamic, cyclical behavior that may require temporally precise modulation. Here we evaluated a behavior-contingent aDBS approach that synchronizes stimulation to gait phase. We reported a single-center, blinded, randomized, crossover study evaluating the feasibility of identifying patient-specific biomarkers to drive aDBS. The primary outcome was feasibility of successful identification of gait-phase biomarkers to implement aDBS. Five participants with PD undergoing pallidal DBS and subdural electrode paddle implantation were enrolled. We successfully identified personalized gait-phase biomarkers from cortical or pallidal field potentials in all five patients and embedded them into a bidirectional neurostimulator. During acute in-clinic testing, aDBS improved step variability and step symmetry versus cDBS. Three participants subsequently completed a double-blinded, multi-day crossover phase. In this setting, aDBS maintained general motor symptom control, reduced falls and yielded patient-specific gait improvements. No adverse events occurred and aDBS was well tolerated. These findings establish the feasibility of biomarker-driven, movement-synchronized neuromodulation and support the development of a larger randomized trial to determine clinical efficacy. ClinicalTrial.gov registration: NCT04675398 . A randomized crossover study shows that gait-phase-synchronized adaptive deep brain stimulation is feasible and safe, and reduces falls compared to continuous stimulation in Parkinson’s disease.

15.
arXiv (CS.LG) 2026-06-19

Toward all-optical unsupervised Hebbian learning in deep photonic neuromorphic networks

arXiv:2601.22300v3 Announce Type: replace-cross Abstract: We propose a deep photonic neuromorphic network (PNN) architecture based on phase-change material (PCM) synapses and local optical feedback for online, unsupervised Hebbian learning. The proposed architecture combines optical vector-matrix multiplication, non-volatile PCM synaptic weighting, and local coincidence-driven synaptic adaptation within a multilayer photonic crossbar framework compatible with photonic integrated circuits. Unlike conventional PNNs that rely on externally computed gradients, repeated optical-electrical-optical conversions, or global backpropagation, the proposed framework employs local Hebbian learning governed directly by correlated pre- and post-synaptic optical activity. To investigate the feasibility of the proposed learning mechanism, we implemented the PNN design using fiber-optic components, programmable variable optical attenuators, and real-time software control that incorporates PCM thermal dynamics. Supervised and unsupervised learning behaviors were experimentally evaluated under both offline and online learning conditions using representative image-recognition tasks. The experimental results demonstrate adaptive synaptic evolution, successful optical inference, and autonomous pattern encoding through local Hebbian learning under realistic fiber-optic hardware conditions. These results establish a pathway toward future integrated photonic neuromorphic systems capable of scalable and energy-efficient online Hebbian learning.

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

A Biased Nonnegative Block Term Tensor Decomposition Model for Dynamic QoS Prediction

arXiv:2605.04813v2 Announce Type: replace Abstract: With the rapid development of cloud computing and Web services, Quality of Service (QoS) has become a key criterion for service selection and recommendation. Tensor latent feature analysis provides an effective way to model multidimensional QoS data, and most existing QoS prediction methods are mainly based on Canonical Polyadic (CP) decomposition or Tucker decomposition. However, constrained by their inherent structural properties, these methods cannot accurately capture the complex and dynamic dependencies in user-service interactions, which limits their prediction performance. To address this issue, this paper proposes a dynamic QoS prediction framework based on the Biased Nonnegative Block Term Tensor Decomposition Model, termed BNBT. Specifically, the proposed framework is developed from three aspects: (1) block term tensor decomposition is employed to enhance the representation capability of latent feature learning; (2) linear bias terms are incorporated to further improve prediction accuracy; and (3) a tensor-oriented single-element-dependent nonnegative multiplicative update algorithm, called SLF-NMUT, is designed for efficient parameter estimation. Extensive experiments on real-world QoS datasets demonstrate that the proposed BNBT framework consistently outperforms several state-of-the-art QoS prediction methods in terms of prediction accuracy.

17.
arXiv (quant-ph) 2026-06-15

A new class of degenerate solutions to the massless Dirac equation and their potential applications in optical memories

arXiv:2606.14256v1 Announce Type: new Abstract: In this article, we present a novel class of degenerate solutions to the massless Dirac equation, corresponding to a wide variety of electromagnetic 4-potentials and fields, including both zero field and circularly polarized electromagnetic waves. An interesting property of these solutions is that the spin of the particles rotates in synchronization with the electric and magnetic fields of the electromagnetic waves. These results could be utilized for the development of optical memories based on materials supporting massless Dirac fermions, such as graphene.

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

Show, Don't Ask: Generative Visual Disambiguation for Composed Image Retrieval with Turn-Valid Coverage

Composed image retrieval (CIR) uses a reference image and a text modification to search for a target image. However, such queries often describe several possible images rather than one exact target, making the user's intent ambiguous. Recent methods address this by using conformal prediction to estimate ambiguity and by asking users clarifying text questions. However, these methods have two limitations: their coverage guarantee only holds at the first interaction, and text questions are often insufficient for resolving fine-grained visual differences such as appearance, attributes, or viewpoint. We propose CLARA, a clarification framework that resolves ambiguity by showing users a small panel of visual alternatives. Instead of answering text questions, the user simply selects the prototype image closest to the intended target. This provides a direct visual signal and avoids relying on a model to predict the user's answer. To maintain valid conformal guarantees across multiple interaction rounds, CLARA reweights calibration using the likelihood ratio induced by the user's selection. The displayed prototypes are also constrained to represent the current candidate set and are snapped to real corpus images, ensuring that generated images cannot artificially improve coverage. Experiments on open-domain and fashion benchmarks show that CLARA matches single-turn state-of-the-art retrieval performance, maintains nominal coverage across interaction rounds, and finds the intended target in fewer rounds than strong text-question baselines. Its advantage is especially clear when ambiguity involves viewpoint or fine-grained attributes, where visual clarification is more effective than textual questioning.

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

Human-like autonomy emerges from self-play and a pinch of human data

arXiv:2606.19370v1 Announce Type: cross Abstract: Self-play reinforcement learning has recently emerged as a way to train driving policies without any human data. It uses cheap, large-scale simulations to substitute expensive, large-scale human driving demonstrations. A key limitation of this approach is that policies trained through pure self-play can learn effective but alien driving conventions incompatible with people. Previous works attempt to mitigate such behavioral misalignments through extensive reward engineering and domain randomization, which are brittle and labor-intensive. Instead of completely discarding human demonstrations, our method treats them as a regularization objective on top of a minimal safe goal-reaching reward. Like the spice in a good stew, we find that a little human data goes a long way: our method uses only 30 minutes of human demonstrations, 2500x fewer than comparable imitation learning approaches. Resulting policies coordinate with held-out human trajectories and complete training in 15 hours on a single consumer-grade GPU. Videos and full source code are available at https://spiced-self-play.com/.

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

TechRAG: Evidence-Gated Multimodal Agentic RAG for Technical Literature Reasoning

arXiv:2606.01613v2 Announce Type: replace-cross Abstract: This paper presents an agentic multimodal retrieval-augmented generation (RAG) framework for domain-specific literature reasoning, instantiated on a curated corpus of several thousand papers in intelligent tires, vehicle dynamics, vehicle control, sensing, estimation, and machine learning. Unlike conventional single-pass RAG systems, the proposed architecture uses an autonomous, evidence-gated pipeline that classifies query intent, generates separate text and visual query rewrites, performs hybrid text retrieval with FAISS and BM25 followed by cross-encoder reranking, expands evidence through graph-guided chunk traversal over a Neo4j knowledge graph, and retrieves visual document evidence using ColSmol late-interaction embeddings with MUVERA fixed-dimensional encoding, approximate nearest-neighbor search, and MaxSim reranking. The framework scores evidence sufficiency using a 100-point rubric with hybrid rule-based/LLM review, retries retrieval through drift-guarded reformulation, searches external academic databases through optimize–search–vet loops, merges and deduplicates multimodal evidence, verifies citation integrity, and generates cited answers through Planner, Researcher, Writer, and Critic agents with self-correcting revision. Key contributions include: (i) a scalable multimodal retrieval architecture combining text, graph, and visual evidence over 40,000 document pages; (ii) an interpretable evidence sufficiency and retry mechanism; (iii) a multi-agent generation pipeline with evidence mapping and critic-driven revision; (iv) a domain knowledge graph with LLM-based entity extraction, OpenAlex author validation, and intra-corpus citation resolution; and (v) a route-dependent external search architecture for targeted literature expansion. The result is a practical, evidence-gated, multimodal agentic RAG architecture for technical reasoning over specialized research corpora.

21.
arXiv (CS.CV) 2026-06-11

Slots, Transitions, Loops: Learning Composable World Models for ARC

ARC tests in-context rule induction: given a few input-output demonstrations, a model must infer the hidden rule and apply it to a new query. While many approaches express ARC rules through language, code, or symbolic programs, ARC itself is visual-symbolic: rules appear as grid transitions over objects, colors, shapes, and spatial relations. We introduce Loop-OWM, an object-centric world-modeling architecture that learns these rules as composable transitions over structured states. It combines color-prototype slots, demonstration-conditioned task summaries, and a looped transition model with dense propagation and slot-conditioned correction. On both ARC-1 and ARC-2, Loop-OWM outperforms non-looped and looped baselines with comparable or fewer parameters. These results suggest that ARC rules can be learned not only as language descriptions or searched programs, but also as transitions over visual-symbolic world states.

22.
arXiv (CS.LG) 2026-06-18

Enhanced Graph Neural Networks using K-Hop Gaussian Diffusion

arXiv:2606.18317v1 Announce Type: new Abstract: Most graph neural network (GNN) cores rely on graph convolutions, typically implemented as message passing between direct (single-hop) neighbors. In many real-world graphs, edges can be noisy or poorly defined, limiting information propagation to local neighborhoods. Existing diffusion kernels, such as Personalized PageRank (PPR) and Heat Kernel, alleviate this issue through global propagation, but still struggle with complex local structures and distant node noise. To address these limitations, we propose a K-Hop Gaussian (KHG) diffusion kernel as a preprocessing module for graph data. KHG introduces multi-hop diffusion with Gaussian weighting for remote nodes, balancing local and global information propagation before applying standard GNNs. Experiments on multiple benchmark datasets demonstrate that KHG significantly outperforms traditional message-passing GNNs, as well as PPR and Heat Kernel diffusion, particularly in noisy or structurally complex graphs.

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

The Algorithm Is Not the Behavior: Learned Priors Override Look-Ahead in a Chess-Playing Neural Network

arXiv:2508.21380v3 Announce Type: replace-cross Abstract: Recent mechanistic work has uncovered learned algorithms within neural networks, from modular arithmetic to search and planning in game-playing agents. But does algorithmic structure guarantee algorithmic behavior? We investigate this in Leela Chess Zero, the strongest neural chess engine, where prior work identified learned look-ahead. By extending the logit lens to its move-selecting policy network, we discover that correct puzzle solutions-including immediate checkmates-often appear in intermediate layers but are systematically overridden in the final output, a phenomenon we term "forgotten puzzles". Replicating prior analyses on these positions, we find that look-ahead operates normally-future moves of the correct continuation are represented, causally important, and linearly decodable-ruling out a failure of the algorithm itself. Instead, late layers increasingly shift toward prioritizing safe play over aggression. To test whether this shift drives the override, we steer the model against these preferences and recover 61.7% of forgotten puzzles, providing causal evidence that safety priors override algorithmically computed solutions. These findings demonstrate that algorithmic structure does not guarantee algorithmic behavior: a model can internally solve a problem and still output the wrong answer.

24.
arXiv (CS.LG) 2026-06-11

RCAP: Robust, Class-Aware, Probabilistic Dynamic Dataset Pruning

arXiv:2606.11761v1 Announce Type: new Abstract: Dynamic data pruning techniques aim to reduce computational cost while minimizing information loss by periodically selecting representative subsets of input data during model training. However, existing methods often struggle to maintain strong worst-group accuracy, particularly at high pruning rates, across balanced and imbalanced datasets. To address this challenge, we propose RCAP, a Robust, Class-Aware, Probabilistic dynamic dataset pruning algorithm for classification tasks. RCAP applies a closed-form solution to estimate the fraction of samples to be included in the training subset for each individual class. This fraction is adaptively adjusted in every epoch using class-wise aggregated loss. Thereafter, it employs an adaptive sampling strategy that prioritizes samples having high loss for populating the class-wise subsets. We evaluate RCAP on six diverse datasets ranging from class-balanced to highly imbalanced using five distinct models across three training paradigms: training from scratch, transfer learning, and fine-tuning. Our approach consistently outperforms state-of-the-art dataset pruning methods, achieving superior worst-group accuracy at all pruning rates. Remarkably, with only $10\%$ data, RCAP delivers $>1\%$ improvement in performance on class-imbalanced datasets compared to full data training while providing an average $8.69\times$ speedup. The code can be accessed at https://github.com/atif-hassan/RCAP-dynamic-dataset-pruning

25.
arXiv (CS.LG) 2026-06-12

Differentiable Thermodynamic Phase-Equilibria for Machine Learning

arXiv:2603.11249v3 Announce Type: replace Abstract: Accurate prediction of phase equilibria remains a central challenge in chemical engineering. Physics-consistent machine learning methods that incorporate thermodynamic structure into neural networks have recently shown strong performance for activity-coefficient modeling. However, extending such approaches to equilibrium data arising from an extremum principle, such as liquid-liquid equilibria, remains difficult. Here we present DISCOMAX, a differentiable algorithm for phase-equilibrium calculation that guarantees thermodynamic consistency at both training and inference, only subject to a user-specified discretization. The method combines discrete enumeration of feasible phase states with masked softmax aggregation in the backward pass, with the propagation of the true equilibrium state in the forward pass, using a straight-through gradient estimator to enable physics-consistent end-to-end learning of neural \gls{gE}-models. We show that this approach bears analogy to statistical thermodynamics, and we evaluate it on binary liquid-liquid equilibrium data where it outperforms existing surrogate-based methods, while offering a general framework for learning from different kinds of equilibrium data.