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

DPRM: A Plug-in Doob h transform-induced Token-Ordering Module for Diffusion Language Models

arXiv:2604.24357v2 Announce Type: replace-cross Abstract: Diffusion language models generate without a fixed left-to-right order, leaving token ordering as a central algorithmic choice. Existing systems mainly use random masking or confidence-driven ordering, which respectively suffer from train–test mismatch and myopic exploration. We introduce DPRM (Doob -transform Process Reward Model), a plug-in token-ordering module that keeps the host architecture, denoising objective and supervision unchanged, and modifies only the ordering policy. DPRM starts from confidence-driven ordering and gradually shifts to process-reward-guided ordering through online estimates. We characterize the exact DPRM policy as a reward-tilted Gibbs reveal law, prove convergence of its stagewise Soft-BoN approximation, show that the online bucketized controller tracks the exact DPRM score at empirical-Bernstein rates, and establish a sample-complexity advantage under tractable optimization assumptions. Across nine hosts covering language reasoning, test-time scaling, protein, single-cell, molecular, DNA, text-to-image generation, and VQA, DPRM order variants improve several language, DNA, and multimodal settings while also identifying boundary cases where confidence-only ordering or task-specific utilities are preferable. Code is available at: https://github.com/DakeBU/DPRM-DLLM

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

SimSiam Naming Game: A Unified Approach for Emergent Communication and Representation Learning

Emergent Communication (EmCom) investigates how agents develop symbolic communication through interaction without predefined language. Recent frameworks, such as the Metropolis–Hastings Naming Game (MHNG), formulate EmCom as the learning of shared external representations negotiated through interaction under joint attention, without explicit success or reward feedback. However, MHNG relies on sampling-based updates that suffer from high rejection rates in high-dimensional perceptual spaces, making the learning process sample-inefficient for complex visual datasets. In this work, we propose the SimSiam Naming Game (SSNG), a feedback-free EmCom framework that replaces sampling-based updates with a symmetric, self-supervised representation alignment objective between autonomous agents. Building on a variational inference–based probabilistic interpretation of self-supervised learning, SSNG formulates symbol emergence as an alignment process between agents' latent representations mediated by message exchange. To enable end-to-end gradient-based optimization, discrete symbolic messages are learned via a Gumbel–Softmax relaxation, preserving the discrete nature of communication while maintaining differentiability. Experiments on CIFAR-10 and ImageNet-100 show that the emergent messages learned by SSNG achieve substantially higher linear-probe classification accuracy than those produced by referential games, reconstruction games, and MHNG. These results indicate that self-supervised representation alignment provides an effective mechanism for feedback-free EmCom in multi-agent systems.

03.
arXiv (quant-ph) 2026-06-11

Emergent Bell Phase in an Electro-Nanomechanical Quantum Simulator

arXiv:2511.02613v2 Announce Type: replace Abstract: Suspended carbon nanotubes hosting electrostatically defined quantum dots allow for exceptionally strong and tunable electromechanical coupling as well as mechanical modes that can reach the quantum ground state of motion simply by cryogenic cooling. This makes them a unique platform for quantum simulation of electron-phonon coupling. Here, we propose an experimentally realisable setup with two such carbon nanotubes in parallel, each hosting four quantum dots. Our system not only exhibits phonon-mediated electron-electron attraction, but also supports a robust, maximally entangled Bell phase at mesoscopic scales shared across the subsystems. These features highlight its potential as a simulator of strongly correlated quantum systems.

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

An AI Security Agent for University ACMIS: Multi-Vector Threat Detection and Automated Response

arXiv:2606.08270v2 Announce Type: replace-cross Abstract: University Academic Management Information Systems (ACMIS) are high-value targets for a wide spectrum of security threats including brute-force login attacks, payment fraud, privilege escalation, insider data theft, and academic integrity violations. Traditional rule-based intrusion detection systems are inadequate because many malicious activities are structurally indistinguishable from normal operations. This paper presents an AI-based security agent for ACMIS that combines supervised anomaly detection, behavioural analytics, and a natural language processing chatbot for secure password recovery. The agent monitors five operational layers: authentication, authorisation, financial transactions, user behaviour, and system health, and responds through a four-tier risk escalation framework. A modular architecture allows the core engine to be extended to other institutional systems. Experiments on a simulated ACMIS event log dataset of 147,922 sessions demonstrate a threat detection macro-average F1 of 0.966, compared to 0.156 for a rule-based baseline and 0.836 for a sequence-only (LSTM) baseline, with end-to-end critical-tier automated response latency under 1 ms on a single-node prototype. The integrated recovery chatbot achieves 97.1 percent identity verification accuracy and an 87.3 percent mass-reset attack detection rate with zero false positives on legitimate high volume recovery periods.

05.
arXiv (CS.CL) 2026-06-11

Rewrite to Translate, Translate to Reward: Reinforcement Learning for Source Rewriting in Machine Translation

Rewriting source text with large language models (LLMs) before translation has been shown to improve machine translation (MT) quality. However, we find that prompt-based rewriting can degrade translation quality rather than improve it, particularly when smaller LLMs, such as 4B-parameter models, are used. We argue that this limitation stems from the difficulty of controlling rewriting behavior through natural-language prompts alone: a rewrite is useful only if it improves downstream translation, yet existing prompt-based methods do not explicitly optimize for this signal. To address this issue, we propose RLSR (Reinforcement Learning for Source Rewriting), a reinforcement learning framework that trains the rewriting model with a reward based on the downstream translation-quality improvement produced by each rewrite. Experiments across six MT systems and 16 language pairs show that our 4B RLSR-trained rewriting models significantly outperform both the no-rewriting baseline and prompt-based rewriting baselines at the same model scale, while remaining competitive with baselines that use a 235B LLM.

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

Convex training of Lipschitz-regularized shallow neural networks

arXiv:2606.19652v1 Announce Type: new Abstract: In this work, we introduce a training procedure for shallow neural networks that promotes robustness against adversarial attacks. We solve a non-convex Lipschitz-regularized training program by introducing a convex restriction that can be efficiently solved to global optimality. Our approach can be employed as a post-processing step by taking a pre-trained network as an initial solution to then solving the convex program whose optimal network is guaranteed to be no worse than the initial one. We illustrate the improvements of our training procedure with experiments using real world datasets for regression tasks under an adversarial setting. We show numerically that solving our proposed convex program yields networks with lower objective values on the Lipschitz-regularized program compared to existing methods. Additionally, we show that on certain datasets, networks obtained using our convex training program are both more accurate and robust with respect to adversarial attacks.

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

DiffCoord: Differentiable Coordination for Distributed Multi-Agent Trajectory Optimization

arXiv:2509.01630v3 Announce Type: replace Abstract: Integrating the Alternating Direction Method of Multipliers (ADMM) with Differential Dynamic Programming (DDP) provides a scalable framework for distributed multi-agent trajectory optimization. In practice, ADMM is typically truncated for computational efficiency, tightly coupling parameters that would otherwise separately govern coordination quality and task performance. In this paper, we propose Differentiable Coordination (DiffCoord), a unified framework that jointly meta-learns these coupled parameters for the truncated ADMM-DDP pipeline. These parameters are generated by agent-wise neural networks for task adaptation, and the same networks are shared among isomorphic agents to enable scalability to varying agent counts. We achieve efficient meta-learning by differentiating the ADMM-DDP pipeline end-to-end. Notably, this yields an auxiliary ADMM-LQR distributed gradient solver that computes and coordinates meta-gradients with respect to these parameters. This solver inherits the computational structure of the pipeline, enabling reuse of key computation results and efficient parallelization over agents and along trajectory horizons. We validate DiffCoord through numerical and physical experiments on a cooperative aerial transport system, where it reconfigures quadrotor formations for safe 6-DoF load manipulation in tight spaces. It adapts robustly to varying team sizes and load dynamics, while reducing per-agent gradient computation time by up to 70% compared with state-of-the-art trajectory-gradient methods.

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

BIM-Edit: Benchmarking Large Language Models for IFC-Based Building Information Modeling

arXiv:2606.20146v1 Announce Type: new Abstract: Large language models (LLMs) are increasingly applied to computer-aided design (CAD) to generate design artifacts from textual instructions. In engineering practice, this requires more than creating new geometry, models must also understand existing scenes, edit them correctly, and preserve semantics and relations. However, many CAD benchmarks focus on creating new models rather than editing existing ones, and mostly evaluate geometric correctness. We introduce BIM-Edit, a benchmark for evaluating LLMs on natural-language editing of Building Information Models (BIM) represented in the Industry Foundation Classes (IFC) format. BIM provides a challenging testbed because building models encode geometry together with semantic and relational structure. BIM-Edit contains 324 editing tasks spanning 11 realistic building models and 36 synthetic scenes. Tasks are expressed using three instruction categories - direct, spatial, and topological - covering both explicit and scene-grounded edits. We evaluate outputs along three dimensions: geometric accuracy, semantic validity, and topological consistency. Across evaluated LLMs, the best-performing model achieves only 49.5% average score across the three metrics, and no model fully solves more than 3.4% of tasks. These results demonstrate a substantial gap between current LLM capabilities and the requirements of structured engineering design workflows.

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

Real-order moments, tail representations, and logarithmic means

arXiv:2606.14019v1 Announce Type: cross Abstract: This paper develops a unified framework for the study of real-order moments of arbitrary random variables. General integral representations are established in terms of cumulative distribution functions and survival functions, covering continuous, discrete, and mixed distributions supported on the whole real line. These formulas extend the classical tail-integral identities for nonnegative random variables and provide a common treatment of positive, fractional, and negative moments. For discrete distributions, explicit series representations are derived in terms of cumulative probabilities, yielding simple criteria for the existence of moments. Applications are presented for the zeta and Skellam distributions, illustrating how tail behavior determines moment finiteness and how moments can be represented geometrically through cumulative distribution functions. In addition, a representation for logarithmic moments is obtained, linking logarithmic means, Laplace transforms, and the classical Frullani identity. The results provide a unified perspective on moment representations and establish useful connections between tail probabilities, distribution functions, Laplace transforms, and moment existence.

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

MEAL: A Benchmark for Continual Multi-Agent Reinforcement Learning

arXiv:2506.14990v3 Announce Type: replace Abstract: Benchmarks play a central role in reinforcement learning (RL) research, yet their computational constraints often shape what is studied. Despite the motivation of lifelong learning, most continual RL papers consider only 3-10 sequential tasks, as CPU-bound environments make longer sequences impractical. Meanwhile, continual learning in cooperative multi-agent settings remains largely unexplored. To address these gaps, we introduce MEAL (Multi-agent Environments for Adaptive Learning), the first benchmark for continual multi-agent RL. By leveraging JAX and GPU acceleration, MEAL enables training on sequences of 100 tasks in a few hours on a single GPU. We find that long task sequences reveal failure modes that do not appear at smaller scales.

11.
arXiv (CS.LG) 2026-06-19

Environment-Adaptive Covariate Selection: Learning When to Use Spurious Correlations for Out-of-Distribution Prediction

arXiv:2601.02322v2 Announce Type: replace-cross Abstract: A common approach to out-of-distribution prediction restricts models to causal or invariant covariates to avoid spurious associations that may change across environments. Despite its theoretical appeal, this strategy can underperform empirical risk minimization when only a subset of the causal parents of the outcome is observed. In such settings, non-causal covariates can serve as proxies for unobserved causal parents and improve prediction when the proxy relationship is stable, but they can hurt when shifts disrupt that relationship. Thus, the optimal covariate set can depend on the specific shift encountered. Because different shifts leave signatures in the unlabeled covariate distribution, we propose an environment-adaptive covariate selection algorithm that maps environment-level summaries to environment-specific covariate sets. These summaries may be hand-crafted or learned from multi-environment data, and prior causal knowledge can be incorporated as constraints. Across simulations and applied datasets, the proposed method improves over static causal, invariant, and other non-adaptive rules under diverse shifts.

12.
arXiv (CS.CL) 2026-06-11

FOCUS: DLLMs Know How to Tame Their Compute Bound

Diffusion Large Language Models (DLLMs) offer a compelling alternative to Auto-Regressive models, but their deployment is constrained by high decoding cost. In this work, we identify a key inefficiency in DLLM decoding: while computation is parallelized over token blocks, only a small subset of tokens is decodable at each diffusion step, causing most compute to be wasted on non-decodable tokens. We further observe a strong correlation between attention-derived token importance and token-wise decoding probability. Based on this insight, we propose FOCUS, an inference system designed for DLLMs. By dynamically focusing computation on decodable tokens and evicting non-decodable ones on-the-fly, FOCUS increases the effective batch size, alleviating compute limitations and enabling scalable throughput. Empirical evaluations demonstrate that FOCUS achieves up to 3.52$\times$ throughput improvement over the production-grade engine LMDeploy in large-batch settings, while preserving or improving generation quality across multiple benchmarks.

13.
arXiv (CS.LG) 2026-06-15

Beyond task performance: Decoding bioacoustic embeddings with speech features

arXiv:2606.14662v1 Announce Type: new Abstract: Pretrained audio embeddings are standard in bioacoustics, yet little is known about which acoustic features these models encode, nor which are useful for a given task. This hinders transparency and limits extension to rare species or data-scarce domains. Here we reveal which speech-like features are encoded in bioacoustic representations. Using the 88~eGeMAPS features across six taxonomic groups, we apply linear and nonlinear regression probes to quantify which acoustic properties each model captures. Results confirm a ``no free lunch'' pattern: no single model captures the full feature space. A concatenated embedding achieves the highest performance, suggesting complementary acoustic space coverage across models. Loudness features are best encoded ($R^2 = 0.76$) while F0 is hardest to recover ($R^2 = 0.33$). By cross-referencing recoverability with per-species feature salience (NMI), we derive data-driven model selection guidance for bioacoustics.

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

Learn from Your Mistakes: Tree-like Self-Play for Secure Code LLMs

arXiv:2606.03489v2 Announce Type: replace-cross Abstract: While Large Language Models (LLMs) excel in code generation, they remain prone to replicating subtle yet critical vulnerabilities endemic to their training data. Current alignment techniques, such as Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL), typically apply coarse-grained optimization at the sequence level. This approach often fails to address the localized nature of security flaws, where a single incorrect token choice can compromise an entire program. To bridge this gap, we introduce Tree-like Self-Play (TSP), a framework that reframes secure code generation as a fine-grained sequential decision process. Unlike standard methods that blindly maximize likelihood, TSP constructs a decision tree where the model explores branching trajectories–generating both secure "golden paths" and vulnerable variants. By treating code generation as a self-play game, the model learns to strictly discriminate against its own localized errors. This provides a dense, on-policy learning signal that forces self-correction precisely at the critical decision nodes where vulnerabilities typically emerge. Our experiments demonstrate that TSP fundamentally enhances model reliability. In Python security benchmarks, TSP boosts CodeLlama-7B's pass rate (SPR@1) to 75.8%, significantly outperforming SFT (57.0%) and unstructured self-play baselines. Crucially, TSP induces robust out-of-distribution generalization: the model not only reduces vulnerabilities in unseen categories (CWEs) by 24.5% but also successfully transfers security principles learned from C/C++ to diverse languages, including Python, Go, and JavaScript. This suggests that TSP does not merely memorize patches, but internalizes abstract, language-agnostic security logic.

15.
medRxiv (Medicine) 2026-06-15

Filum Terminale Diameter on Routine Pediatric MRI: A Large-Cohort Clinical Reference in 3,406 Children and the Age-Dependent Meaning of the 2-mm Thickened-Filum Threshold

Background. A filum diameter >2 mm is the conventional MRI threshold for a thickened filum, but it derives from small, mostly adult series showing no age dependence; whether one cutoff suits all of childhood is untested. Objective. To build an age-specific filum-diameter reference on routine pediatric MRI and test, adjusting for image resolution, whether the 2-mm threshold is age-stationary. Materials and methods. In this retrospective study an nnU-Net tracer measured the maximal filum diameter on consecutive lumbosacral MRI; versus manual tracing it showed negligible bias but moderate single-measure agreement. After excluding report-confirmed fatty filum, lipoma, or tethered cord, the proportion >2 mm was analysed within one acquisition protocol and by logistic regression adjusting for voxel size and slice thickness. Results. Of 7,245 examinations, 3,869 (53%) were traceable; untraced ones were younger (median 0.75 vs 2.0 years). The presumed-normal cohort had median diameter 1.48 mm. At matched resolution, 2 mm marked the 94th percentile in infants (5.6% exceeded it) but the 83rd by 3-6 years (17.4%); the age effect persisted after adjusting for voxel size and slice thickness (3-6 years vs infants, adjusted OR 4.7; P < .001). Conclusion. Filum diameter clusters near 1.5 mm, and the fixed 2-mm cutoff flags ~5% of infants but ~17% of preschoolers. Caliber should be judged against an age-specific clinical reference, not one fixed cutoff; a thick filum is not itself a diagnosis of tethered cord.

16.
Nature Medicine 2026-06-11

Microglia at a key inflection point in Alzheimer’s disease

作者: 未知作者

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

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

Comparing Commercial Depth Sensor Accuracy for Medical Applications

Depth estimation has numerous medical and surgical applications. We benchmark four depth sensors on a porcine bone specimen, a porcine belly specimen, and a silicone kidney phantom using stylus-sampled references. These objects contain several real-world challenges, including homogeneous surfaces, specular surfaces, and subsurface scattering. The comparison includes stereo, structured-light, and time-of-flight sensors at a distance of approximately 50 cm. Specifically, the Intel RealSense D405 (Intel RealSense, United States), PMD Flexx2 (pmdtechnologies, Germany), Stereolabs ZED 2i (Stereolabs, France), and Zivid 2M+ 60 (Zivid, Norway) are compared. The Zivid 2M+ 60 performed best across all objects and metrics considered in this work. The ZED ranked second for real tissue, but last on the phantom.

18.
arXiv (CS.AI) 2026-06-11

When Does Deep RL Beat Calibrated Baselines? A Benchmark Study on Adaptive Resource Control

arXiv:2605.26418v2 Announce Type: replace-cross Abstract: A properly calibrated rule-based autoscaler can beat every one of six mainstream deep reinforcement learning (DRL) algorithms on cost across every workload we test - so when, if ever, does DRL actually help? We study this in RLScale-Bench, a reproducible benchmark and evaluation protocol for DRL on adaptive resource control, where an agent allocates compute to a dynamic workload under cost and service-level constraints. We evaluate PPO, DQN, A2C, SAC, TD3, and DDPG under matched architectures, training budgets, and reward functions against a calibrated rule-based baseline across six workload patterns and five seeds (240 runs), instantiate the benchmark on Kubernetes Horizontal Pod Autoscaling, and probe distribution-shift generalization. Three findings challenge common assumptions: (i) the calibrated controller achieves the lowest cost on all six workloads, though it trails the best RL agents on bursty and flash traffic; (ii) discrete-action algorithms outperform continuous-action ones by one to two orders of magnitude in constraint violations due to action-space mismatch; and (iii) no single algorithm dominates across workloads, with rankings shifting by up to four positions. The bottleneck in RL-based resource control is not algorithm selection but baseline calibration, reward engineering, and realistic evaluation protocols.

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

Every Eval Ever: A Unifying Schema and Community Repository for AI Evaluation Results

AI evaluations are widely used for testing and understanding progress. However, the diverse evaluators bring with them inconsistencies that challenge analysis and comparison. First, results are saved in incompatible formats, scattered across leaderboards, papers, blog posts, evaluation harness logs, and custom repositories. Second, results are created by different evaluation frameworks, which produce divergent scores for nominally identical evaluations and record metadata inconsistently, hindering comparison, cross-community evaluation science, cost reduction, and reuse. We introduce Every Eval Ever, the first shared schema and community-crowdsourced repository for AI evaluation results. The schema standardizes how evaluations are represented in a unified, single JSON document. It is source-agnostic by design, ingesting results from evaluation harnesses and papers alike, and optionally stores per-instance outputs for fine-grained analysis. We contribute: (i) a community-governed metadata schema with a companion instance-level schema, the first standardization effort of its kind; (ii) automatic converters from popular formats, evaluation harnesses, and leaderboards to the unified schema; and (iii) a crowdsourced community database hosted on Hugging Face, currently spanning to date 22,235 models, 2,273 unique benchmarks, and 31 evaluation formats.

20.
arXiv (CS.AI) 2026-06-19

Token Factory: Efficiently Integrating Diverse Signals into Large Recommendation Models

arXiv:2606.19635v1 Announce Type: cross Abstract: Large Recommendation Models (LRMs) have demonstrated promising capabilities in industry-scale recommendation tasks. However, holistically integrating traditional signals into these transformer-based architectures effectively and efficiently remains a major challenge. Conventional approaches that "textualize" these signals directly or create discrete item representations often lead to excessively long prompts, substantial memory footprints, and high computational overhead. To overcome these limitations, we propose "Token Factory", a framework designed to transform traditional signals into "soft tokens" that can be directly processed by LRMs. This approach enables efficient integration and compression of heterogeneous input features, preventing prompt length explosion while enhancing model performance. We detail the architecture of Token Factory and present experimental results validating its effectiveness in a production-scale recommendation environment.

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

Metis: A Generalizable and Efficient World-Action Model for Autonomous Driving and Urban Navigation

World action models~(WAMs) have shown great promise for autonomous driving and urban navigation. Built upon Vision-Language-Action models or video generation models, existing approaches suffer key limitations: (1) High inference latency due to future observation prediction at test time, and (2) tightly coupled video and action modeling leading to representational mismatch and degraded generalization. To address both issues, we propose Metis, an end-to-end WAM framework that decouples video generation and action prediction. Specifically, Metis employs a Mixture-of-Transformers architecture with dedicated experts for video generation and action prediction, preserving the intrinsic distributional properties of each task. To enhance efficiency, we introduce an asymmetric attention mask that enables joint training of both experts while allowing the action model to bypass explicit video generation during inference. This design ensures training-inference consistency and significantly reduces computational costs without compromising planning performance. Extensive experiments demonstrate state-of-the-art performance on the NAVSIM navhard and navtest benchmarks and the CityWalker navigation benchmark, validating both the generalizability and efficiency across diverse tasks. Real-robot deployments further confirm the practical feasibility of our approach.

22.
arXiv (CS.CL) 2026-06-16

ttda704 at SemEval-2026 Task 6: Structured Chain-of-Thought Prompting for Political Evasion Detection

This paper describes our system for SemEval-2026 Task 6, which addresses the classification of political evasion strategies in English question-answer pairs extracted from U.S. presidential interviews. We systematically compare two distinct paradigms: (1) Parameter-Efficient Fine-Tuning of Qwen3 models (4B-32B) using QLoRA, enhanced with tiered upsampling and weighted cross-entropy loss to address severe class imbalance, and (2) structured Chain-of-Thought (CoT) prompting of reasoning-capable API models, namely DeepSeek-V3.2 and Grok-4-Fast. Our evaluation demonstrates that structured CoT prompting of reasoning-enabled models substantially outperforms our baseline parameter-efficient fine-tuning implementation in absolute Macro F1. Our best system, Grok-4-Fast with extended reasoning and few-shot hierarchical CoT prompting, achieves a Macro F1 of 0.5147 on Subtask 2 (9-class evasion) and 0.7979 on Subtask 1 (3-class clarity), ranking 8th out of 33 teams on Subtask 2 and 13th out of 41 teams on Subtask 1 on the official leaderboard. Furthermore, our ablation studies reveal key insights into effective prompt design for evasion detection: presenting labels within a hierarchical taxonomy helps structure model reasoning, while few-shot exemplars provide task calibration. However, the strongest prompt variants are not statistically distinguishable in Macro F1, and explicitly enabling extended reasoning modes yields substantial performance gains by facilitating the multi-step pragmatic analysis required to detect evasive intent.

23.
arXiv (CS.LG) 2026-06-15

Curvature-Informed Potential Energy Surface for Protein-Ligand Binding Affinity Prediction

arXiv:2606.14217v1 Announce Type: new Abstract: Accurate prediction of protein-ligand binding affinity is essential for structure-based drug discovery. Recent geometric deep learning methods have achieved promising performance by representing protein-ligand complexes as three-dimensional graphs. However, most existing approaches mainly rely on static interaction geometry from a single bound conformation, while neglecting molecular flexibility and binding-induced conformational changes. To address this limitation, we propose a curvature-informed potential energy surface (CPES) graph neural network for protein-ligand binding affinity prediction, which incorporates physics-informed curvature representations to model conformational flexibility. CPES first derives curvature spectral descriptors from the Hessian of the potential energy surface evaluated at equilibrium configurations, whose eigenvalues define the local principal curvatures of the potential energy surface. It then uses spectral cross-attention to compare the unbound ligand and protein with the bound complex, thereby capturing binding-induced changes in conformational dynamics. In parallel, hierarchical protein-ligand interaction representations are learned from static structural features through geometry-aware message passing, soft clustering, and bidirectional cross-attention. Finally, CPES fuses the curvature-informed dynamic representations with static interaction representations for affinity regression. Extensive evaluations on multiple benchmark datasets demonstrate that CPES achieves improved predictive performance and offers physical interpretability.

24.
arXiv (quant-ph) 2026-06-16

Influence of the Electron's Anomalous Magnetic Dipole Moment on High-Atomic-Number Atoms

arXiv:2606.15995v1 Announce Type: new Abstract: Super-heavy atoms ($Z > 100$) are usually studied in the context of the so-called ``Quantum Electrodynamics of Strong Fields''. In this theory the problem of the singularity in the electron energy whenever $Z > 137$ is overcome. This is done by considering the finite size of the nucleus and leads to interesting phenomena, such as the spontaneous production of positrons. Here, we show that taking into account the contribution from the Anomalous Magnetic Dipole Moment of the electron (by means of an effective theory), within a point-nucleus model, is a sufficient condition to obtain regular wave functions and physically acceptable energy values for $Z > 137$.

25.
arXiv (CS.CV) 2026-06-15

Instruct-Particulate: Scaling Feed-Forward 3D Object Articulation with Kinematic Control

Reconstructing articulated 3D objects is important for animation, gaming, and robotic simulations. Recent neural networks can estimate the articulated structure of 3D objects, but their generalization remains limited by the scarcity of annotated data for this task. To address this gap, we introduce Instruct-Particulate, a model that takes a 3D mesh together with a target kinematic specification, including part descriptions, connectivity, joint types, and optional point prompts, and predicts the corresponding kinematic part segmentation and joint motion parameters. The kinematic specification disambiguates the task and allows the model to target annotations of different granularity, thereby making it possible to use more abundant heterogeneous training data. At test time, the kinematic specification can be obtained automatically from large-scale vision-language models, so the model can be applied to any input mesh. To train our model at scale, we construct a heterogeneous dataset of more than 150,000 articulated 3D objects, extending existing publicly available collections with data obtained by partially labelling other 3D models (monolithic or already decomposed into parts) with kinematic labels by means of vision-language models. Experiments show that our model generalizes better across categories and to AI-generated meshes, enabling articulated asset reconstruction from real-world images via image-to-3D models.