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01.
arXiv (math.PR) 2026-06-24

A parameterized family of balance indices for phylogenetic networks

arXiv:2606.24562v1 Announce Type: cross Abstract: We introduce a new family of balance indices for phylogenetic networks: the $H_\alpha$ indices, where $\alpha$ is a positive real number. This family includes the $B_2$ index as a special case ($\alpha = 1$) and provides a natural extension of the Sackin index to phylogenetic networks. We show that the $H_\alpha$ indices share many structural properties with the $B_2$ index, most notably a "grafting property" that makes it possible to express the $H_\alpha$ index of a network in terms of the $H_\alpha$ indices of its biconnected components. These properties allow us to identify networks that minimize / maximize $H_\alpha$ for various classes of phylogenetic networks, and to study its distribution for several models of random trees and networks (in particular, Galton-Watson trees and binary Markov branching trees, with a focus on the Yule and PDA models). Finally, we show how local limits can be used to analyze the asymptotic behavior of $H_\alpha$ for large trees and networks, and we obtain general results for the moments of $H_\alpha$ for a broad class of random phylogenetic networks known as blowups of Galton-Watson trees.

02.
arXiv (CS.LG) 2026-06-11

LakeFM: Toward a Foundation Model for Aquatic Ecosystems Using Irregular Multivariate Multi-depth Time Series Data

arXiv:2606.11268v1 Announce Type: new Abstract: Understanding and forecasting lake dynamics is critical for monitoring water quality and ecosystem health across lakes and reservoirs. While machine learning methods have been recently applied to ecological time-series data, existing works assume regular sampling in time and depth, and struggle to generalize across lakes with heterogeneous variables, depths, and observation patterns. To address these limitations, we introduce \textsc{LakeFM}, a foundation model for aquatic systems, pre-trained on large-scale ecological datasets comprising both simulated and observed lakes. Through extensive empirical evaluation, we show that \textsc{LakeFM} learns meaningful representations spanning broader lake-level characteristics, and achieves competitive or often superior-forecasting performance compared to existing time-series foundation and non-foundation models, while producing physically plausible predictions consistent with real-world lake dynamics.

03.
arXiv (CS.CL) 2026-06-19

SAGE-OPD: Selective Agent-Guided Intervention for Multi-Turn On-Policy Distillation

On-policy distillation (OPD) improves student models by training them on trajectories induced by their own policy, making it a promising approach for mitigating exposure bias in agent training. However, most OPD studies focus on single-turn settings, while realistic LLM agents interact with environments over multiple turns. In this regime, early errors can alter future observations and compound across the trajectory, and standard dense token-level OPD becomes brittle, as it may over-penalize semantically valid alternatives, reinforce local degeneracies such as repeated actions, and propagate unreliable teacher supervision on off-distribution histories. We propose SAGE-OPD, a verifier-free selective intervention framework specifically designed for multi-turn OPD. Instead of applying teacher supervision uniformly across all turns, SAGE-OPD first observes environment feedback and uses teacher judgment to decide whether each student response should be skipped or intervened on. To further address compounding errors, SAGE-OPD weights token-level distillation by teacher confidence, reducing the influence of uncertain teacher distributions on corrupted or ambiguous histories. Finally, SAGE-OPD applies loss normalization to preserve the overall loss scale of standard OPD while retaining selective turn-level weighting. Experiments on agent tasks show that SAGE-OPD consistently improves over baselines, achieving up to a 13.3% relative improvement in ALFWorld unseen success rate over standard OPD. Ablation studies further demonstrate that turn-level intervention, teacher confidence weighting, and loss normalization provide complementary benefits. Our results suggest that effective multi-turn OPD should remain on-policy, but teacher supervision should be selectively allocated to turns where intervention is necessary and reliable.

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

SING: Synthetic Intention Graph for Scalable Active Tool Discovery in LLM Agents

Large language model (LLM) agents increasingly rely on agent harnesses that manage context, tools, and multi-turn execution, making tools a central interface for acting in realistic digital environments. As harness-connected tool ecosystems expand to hundreds or thousands of APIs, services, and task-specific skills, exhaustive tool schema injection becomes costly and imposes a closed-world assumption that limits agents to a predefined static inventory. Retrieval-augmented tool selection offers a natural alternative, but existing one-shot retrieval methods often fail to align isolated tool descriptions with the agent's true task intention, especially in long-horizon tasks where required capabilities emerge through decomposition, observations, and newly induced subgoals. We propose SING, an intention-aware active tool discovery framework that builds an intention-tool graph linking user intentions, tool capabilities, and tool collaboration patterns, and dynamically retrieves tools according to evolving task states. Using a unified corpus of 7,471 tools, we evaluate SING on three real-world tool-use benchmarks. SING improves Global Recall@5 by up to 59.8% and downstream success rate by up to 28.9% over baselines, while reducing full-corpus tool-schema exposure by 99.8%, demonstrating that intention-aware graph structure enables more accurate and context-efficient tool discovery in large-scale agentic ecosystems.

05.
arXiv (math.PR) 2026-06-16

High-Order Talagrand and Eldan–Gross Inequalities via Besov-Type Variance Functionals

arXiv:2606.14876v1 Announce Type: new Abstract: By introducing high-order Besov-type variance functionals that generalize the canonical variance, we develop a unified framework for proving high-order Talagrand-type inequalities that relate high-order energies to Fourier weights. Applying this machinery, we establish high-order Poincaré-type, $L^p$–$L^q$, isoperimetric-type, Falik–Samorodnitsky and Eldan–Gross inequalities, all with explicit constants, in both the Boolean and Gaussian settings. Fundamentally, our semigroup-based framework relies primarily on hypercontractivity and high-order Bismut-type derivative estimates, and is broadly applicable.

06.
arXiv (CS.CV) 2026-06-24

EPMF: Efficient Perception-aware Multi-sensor Fusion for 3D Semantic Segmentation

We study multi-sensor fusion for 3D semantic segmentation that is important to scene understanding for many applications, such as autonomous driving and robotics. Existing fusion-based methods, however, may not achieve promising performance due to the vast difference between the two modalities. In this work, we investigate a collaborative fusion scheme called perception-aware multi-sensor fusion (PMF) to effectively exploit perceptual information from two modalities, namely, appearance information from RGB images and spatio-depth information from point clouds. To this end, we project point clouds to the camera coordinate using perspective projection, and process both inputs from LiDAR and cameras in 2D space while preventing the information loss of RGB images. Then, we propose a two-stream network to extract features from the two modalities, separately. The extracted features are fused by effective residual-based fusion modules. Moreover, we introduce additional perception-aware losses to measure the perceptual difference between the two modalities. Last, we propose an improved version of PMF, i.e., EPMF, which is more efficient and effective by optimizing data pre-processing and network architecture under perspective projection. Specifically, we propose cross-modal alignment and cropping to obtain tight inputs and reduce unnecessary computational costs. We then explore more efficient contextual modules under perspective projection and fuse the LiDAR features into the camera stream to boost the performance of the two-stream network. Extensive experiments on benchmark data sets show the superiority of our method. For example, on nuScenes test set, our EPMF outperforms the state-of-the-art method, i.e., RangeFormer, by 0.9% in mIoU. Our source code is available at https://github.com/ICEORY/PMF.

07.
arXiv (CS.LG) 2026-06-24

Lightweight Test-Time Adaptation for EMG-Based Gesture Recognition

arXiv:2601.04181v2 Announce Type: replace Abstract: Reliable long-term decoding of gestures from surface electromyography (EMG) is hindered by signal drift caused by electrode displacement, muscle fatigue, and/or posture changes. Although modern models achieve high intra-session accuracy, their performance often degrades substantially across recording sessions. Existing approaches to mitigate this problem typically rely on large training datasets or computationally intensive pipelines that are unsuitable for energy-efficient wearable devices. We propose a lightweight test-time adaptation framework for EMG decoding. The framework includes three complementary adaptation strategies: (i) causal adaptive batch normalization for online statistical alignment, (ii) Gaussian Mixture Model alignment with experience replay to mitigate forgetting, and (iii) meta-learning for rapid few-shot calibration. We evaluate these methods on the multi-session NinaPro DB6 dataset. All approaches substantially improve inter-session robustness relative to a non-adaptive baseline while maintaining low computational overhead. Replay-regularized statistical alignment provides the most stable adaptation under limited data, while meta-learning achieves the highest accuracy when sparse calibration labels are available. Overall, our self-supervised test-time adaptation methods reach up to 82% inter-session accuracy, significantly improving upon prior approaches while maintaining resource-efficient operation. These results demonstrate that lightweight test-time adaptation can enable robust, long-term EMG decoding for wearable or prosthetic applications.

08.
bioRxiv (Bioinfo) 2026-06-23

EnrichViz: An Interactive R Shiny Application for Visualization of Pathway Enrichment Results from Omics Data

Pathway and functional enrichment analysis is a cornerstone of omics data interpretation, enabling researchers to map differentially expressed proteins or genes onto curated biological processes, signaling cascades, and molecular functions. While tools such as Ingenuity Pathway Analysis (IPA), g:Profiler, and Enrichr are widely used to generate ranked enrichment results, translating these tabular outputs into clear, publication-ready figures remains a time-consuming step that typically requires custom scripting and familiarity with visualization libraries, a significant barrier for researchers without a computational background. Here we present EnrichViz, a self-contained, browser-based R Shiny application that enables interactive, code-free visualization of pathway and functional enrichment results from quantitative proteomics, transcriptomics, and metabolomics experiments. EnrichViz accepts three standard CSV files as input, a normalized abundance matrix, a sample annotation or metadata file, and enrichment results from any platform that exports tabular output, and produces six complementary, publication-ready visualizations: bar and bubble plots for ranking enriched terms by significance, chord diagrams for exploring pathway-molecule connectivity, clustered heatmaps for displaying Z-score normalized expression patterns across experimental groups, and boxplots or violin plots for examining the abundance distribution of individual proteins, genes, or metabolites. The application supports both raw p-values and pre-transformed -log10(p) values through automatic detection, and all plot parameters are adjustable in real time through a graphical sidebar. Every figure can be exported as a high-resolution PNG file at 300 dpi. EnrichViz is implemented in R using the Shiny, ggplot2, pheatmap, and circlize packages, and is freely available at https://rgmilian.shinyapps.io/EnrichViz/

09.
arXiv (CS.LG) 2026-06-18

BLADE: Scalable Bi-level Adaptive Data Selection for LLM Training

arXiv:2606.18650v1 Announce Type: new Abstract: As Large Language Model (LLM) datasets scale to trillions of tokens, data selection has emerged as a critical frontier to filter out uninformative noise and construct adaptive learning trajectories. Beyond static heuristic filtering, advanced data selection methods for LLM training largely follow two paradigms, each with fundamental limitations. Influence-based methods provide principled bi-level objectives but require intractable inverse-Hessian computations, while excess-loss methods are computationally efficient but rely on a static reference model that becomes misaligned with the evolving proxy model during training. We propose BLADE (Bi-Level Adaptive Data sElection), a Hessian-free framework for data selection. BLADE reformulates the bi-level optimization problem underlying influence-based methods as a penalized single-level objective via Lagrange multipliers, avoiding inverse-Hessian computation while revealing a principled connection to excess-loss based data selection. The resulting objective recovers an excess-loss form but replaces the static reference model with a dynamic one that stays synchronized with training. Theoretically, we prove that this penalized formulation guarantees first-order convergence. For efficient online batch selection, we instantiate BLADE as a memoryless randomized block-coordinate Frank-Wolfe algorithm. Extensive experiments show that BLADE consistently outperforms state-of-the-art data selection baselines, providing a practical recipe for LLM training.

10.
arXiv (CS.LG) 2026-06-11

Learning Object Manipulation from Scratch via Contrastive Interaction

arXiv:2606.11525v1 Announce Type: cross Abstract: Contrastive Reinforcement Learning (CRL) has seen recent success in a wide variety of goal-conditioned robotics tasks by learning structured representations of the dynamics. However, despite its success in locomotion and simpler control domains, CRL often struggles in interaction-rich manipulation. We argue that a key source of this difficulty is object-centric interaction, such as contact or grasping, that induces distinct changes in the underlying dynamic modes. In this work, we formulate manipulation dynamics as a piecewise-smooth Markov process and show that interaction-induced mode changes create piecewise nonlinear reachability structures that are difficult for standard CRL energy functions to represent and plan over. Based on this analysis, we introduce Interaction-weighted Resampling (IWR). IWR performs interaction-aware resampling around phases before, during, and after interactions, encouraging the learned representation to preserve the mode boundaries that determine future reachability to capture multi-modal and piecewise nonlinear reachability. Across interaction-centric environments, including 2D dynamic control, robotic manipulation, and robot air hockey, IWR improves both sample efficiency and overall performance over prior CRL methods, with 19.8% average improvement in simulation. Finally, using a sim-to-real pipeline with policies trained by IWR, we demonstrate the first real-world goal-conditioned robot air hockey agent capable of hitting goals, improving success from 25% to 60%. Project Page: IWR-arxiv.github.io.

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

JailbreakOPT: Tool-Assisted Iterative Jailbreak Prompt Optimization

arXiv:2606.11425v1 Announce Type: cross Abstract: Jailbreak attacks expose persistent safety weaknesses in large language models (LLMs), but existing stateless single-turn methods face a trade-off: hand-crafted prompts are expressive but static, while iterative prompt optimization can adapt but often relies on low-level mutations that require many target queries. We propose JailbreakOPT, a tool-assisted framework for improving iterative single-turn jailbreak prompt optimization. JailbreakOPT organizes diverse atomic jailbreak prompts into an attack tool library and composes them through a unified intra-episode optimization abstraction to generate stronger standalone attack prompts. To reuse experience across attack episodes, JailbreakOPT further frames tool selection as a contextual bandit problem and applies contextual Thompson sampling to guide exploration and exploitation based on past outcomes. Experiments across multiple target LLMs and attack goals show that JailbreakOPT improves attack success rate (ASR) while reducing the number of attacks until success (No.A) compared with atomic single-turn attacks and existing iterative optimization baselines. This paper may contain offensive or harmful content.

12.
arXiv (CS.AI) 2026-06-16

Deep Neural Networks: A Formulation Via Non-Archimedean Analysis

arXiv:2402.00094v3 Announce Type: replace-cross Abstract: We introduce a new class of deep neural networks (DNNs) with multilayered tree-like architectures. The architectures are codified using numbers from the ring of integers of non-Archimdean local fields. These rings have a natural hierarchical organization as infinite rooted trees. Natural morphisms on these rings allow us to construct finite multilayered architectures. The new DNNs are robust universal approximators of real-valued functions defined on the mentioned rings. We also show that the DNNs are robust universal approximators of real-valued square-integrable functions defined in the unit interval.

13.
arXiv (CS.AI) 2026-06-17

Structural Preservation and the Logical Expressiveness of Graph Neural Networks

arXiv:2606.17882v1 Announce Type: new Abstract: Bridges between graph neural networks (GNNs) and logical formalisms have been established by fixing architectural choices, such as the types of aggregation, combination, and activation functions. These choices define restricted classes of GNNs for which tight correspondences with logical formalisms can be obtained, by showing that logical formulae can be translated into equivalent GNNs and, conversely, that GNNs can be translated into equivalent formulae. In this paper we take a semantic perspective by establishing the logical expressiveness of classes of GNN classifiers that are preserved under structural properties: embeddings (extensions), injective homomorphisms, and homomorphisms. We show that, for each such property, there exists a fragment of graded modal logic characterising the class of GNNs. In particular, preservation under embeddings, injective homomorphisms, and homomorphisms corresponds to existential graded modal logic, its existential-positive fragment, and existential-positive modal logic, respectively. These results characterise the expressiveness of broad classes of GNNs independently of specific architectural choices, but we also show that each of these classes admits a GNN architecture of the same expressiveness. Technically, our approach uses a new well-quasi-order result for trees of bounded height, yielding finite representations of unravelling-invariant classes.

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

Turning music identification into a neural forward pass

arXiv:2606.17301v1 Announce Type: cross Abstract: Search, a foundational operation in computer science, maps a query to a matching item in a collection. It is typically implemented as a System-2 like, rule-based pipeline in which a key is computed, an index is probed, and candidates are verified. By contrast, human recognition resembles a System-1 like, associative model of identity recovery, in which even partial cues can trigger a recall without explicitly enumerating, ranking, or even accessing discrete candidates. Here, we show that music sound identification, a difficult search problem, can be performed in a single neural feed-forward pass by a generative transformer. Trained on an audio dataset, the model predicts the corresponding track identifier from a short audio excerpt. This approach surpasses state-of-the-art acoustic fingerprinting, with the largest gains for short audio segments (1 second), demonstrating the method is not only viable but advantageous. Moreover, it reduces external storage to 0.33% of the baseline footprint and improves inference latency by 2.3x (p95). Furthermore, the model can reject queries for unseen tracks, supporting open-set operation while reducing misattribution risk. Using music track identification as an example, this work reframes search, bringing it closer in spirit to human associative recognition and away from algorithmic database lookup.

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

Enhancing Graph Neural Networks Using Proximity Graphs for Dust Source Emission Forecasting

arXiv:2606.19825v1 Announce Type: new Abstract: Accurate prediction of dust source emissions is critical for mitigating the significant environmental and health hazards posed by dust storms. Traditional forecasting methods often struggle to capture the complex spatiotemporal dynamics of these phenomena. In this paper, we demonstrate that proximity graphs enable Graph Neural Networks (GNNs) to effectively model the intricate spatial and temporal relationships between data points. Specifically, we use proximity graphs–such as Delaunay triangulation, Gabriel graph, k-Nearest Neighbor graph, and Yao graph–as the input for GNNs (including GraphSAGE, Graph Convolutional Networks, and Graph Attention Networks) to perform message passing. Our approach highlights the effectiveness of integrating proximity graphs with GNNs for robust and accurate dust source forecasting. To emphasize the importance of proximity graph representations, we compare our method against GNNs using random graphs for message passing. The results show that GNNs with proximity graphs significantly outperform those with random graphs and are also far superior to Long Short-Term Memory (LSTM) model in dust source emission forecasting.

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

The Token Is a Group Element: On Lie-Algebra Attention over Matrix Lie Groups

arXiv:2606.20547v1 Announce Type: new Abstract: We place the attention token on the group: a token is an element $g_i$ of a matrix Lie group $G$ – a bare transformation, with no feature payload and no external action $\rho(g)$ carrying it. To our knowledge this is the first attention construction whose tokens are bare matrix Lie group elements: their score is the closed-form algebra norm of the relative pose rather than a learned kernel, and it reaches the affine full-frame groups that every irrep- or surjective-exp-based method must exclude. We call it Lie-Algebra Attention. Once tokens are group elements, the rest follows with none of the usual representation-theoretic machinery. The relative geometry of a pair is canonical, $g_i^{-1} g_j$, so the pairwise invariant $w_{ij} = \log(g_i^{-1} g_j)$ is intrinsic rather than designed; equivariance under the diagonal $G$-action is tautological, and the cocycle condition holds automatically. The attention score is the negative squared algebra norm, $s_{ij} = -\|\log(g_i^{-1} g_j)\|_\lambda^2/\tau$: the canonical proximity kernel under a block-weighted Frobenius inner product, with no irreducible representations, spherical harmonics, Clebsch-Gordan products, or learned kernel. The construction applies to any matrix Lie group on a chosen logarithm chart containing the relative poses, including the non-compact non-abelian affine groups with scale and shear that no vector-token attention method reaches: neither the irrep tradition nor surjective-exp methods. Three sequence-completion experiments, on SE(2), SO(3), and Aff(2), bear this out: the closed-form score matches a learned MLP kernel on the same invariant and outperforms it on SE(2), using 50 to 80x fewer score parameters, while a vector-token baseline breaks invariance by five to twelve orders of magnitude.

17.
arXiv (CS.CV) 2026-06-16

Focus When Necessary: Adaptive Routing and Collaborative Grounding for Training-Free Visual Grounding

While Multimodal Large Language Models (MLLMs) excel in cross-modal reasoning, they often struggle to perceive fine-grained details in complex high-resolution images. Recent training-free methods address this through image scaling and localized cropping. However, applying these manipulations indiscriminately introduces computational redundancy for simple queries and can degrade accuracy by truncating essential global context or introducing irrelevant background noise. To this end, we propose LazyMCoT, a dynamic and training-free framework that adaptively allocates visual grounding efforts based on sample difficulty. The framework features an Adaptive Routing mechanism that evaluates predictive uncertainty using first-token statistics from a single forward pass. This efficiently bypasses confident cases while ensuring the recall of difficult samples via conformal calibration. For these challenging cases, a Collaborative Grounding module integrates the inherent cross-modal attention of the model with an external visual expert through a two-stage refinement process. This refinement process generates a precise localized display to recover small or occluded targets. Extensive experiments across diverse benchmarks demonstrate that LazyMCoT rivals training-based approaches by simultaneously improving reasoning accuracy and reducing average inference latency. Our code is availble at https://github.com/TencentBAC/LazyMCoT.

18.
arXiv (quant-ph) 2026-06-11

Fabricating fiber cavity mirror substrates compatible with high coupling efficiency

arXiv:2606.12168v1 Announce Type: cross Abstract: Fiber optical cavities offer small mode volumes and correspondingly strong light-matter interactions in an open Fabry-Perot geometry. However, existing fabrication techniques do not reliably produce substrates with surface profiles amenable to high mode matching between the cavity mode and fiber core, thereby limiting the achievable collection efficiency. Here we present a technique to fabricate fiber mirror substrates while using $in situ$ reflectometry to constrain the achievable mode matching prior to coating. By measuring the back-reflection from freshly cleaved fiber tips, we pre-select 138 fibers compatible with 96.5-99.5% mode matching, and after a single CO$_2$ laser ablation pulse, these fibers remained compatible with 95.3-99.2\%. This simple technique provides rapid feedback during each stage of substrate fabrication, greatly enhancing the yield of viable fiber mirror substrates prior to (expensive) coating runs.

20.
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.

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

Landmark-free Assessment of Lower-limb Alignment with Implicit Neural Shape Functions from Knee Radiographs

Radiographic assessment of lower-limb alignment (LLA) is important for predicting joint health and surgical outcomes in total knee arthroplasty. Traditional measurement methods are manual and time-consuming, while recent machine learning approaches typically rely on locating a fixed set of anatomical landmarks. This dependence limits flexibility and may require re-annotation when clinical definitions change. To address this, we propose an automated workflow using Implicit Neural Shape Functions (INSF). Rather than relying on explicit landmark coordinates, we encode the anatomy into a compact latent space and regress clinical alignment measurements directly from these latent codes. This architecture allows for rapid extendability to new tasks without altering the backbone representation. We trained our method on an internal dataset of 566 knee radiographs, each annotated with the outline of the femur and tibia. We evaluated it on both an internal test dataset of 50 patients and a separate external set of 402 preoperative cases from the MRKR dataset. Manual clinical measurements are available for these data, and the MRKR measurements will be made publicly accessible. Performance was comparable to state-of-the-art landmark-based methods and manual agreement, while offering a flexible shape representation that can be extended to additional measurement tasks.

22.
arXiv (CS.AI) 2026-06-11

LLMs+Graphs: Toward Graph-Native, Synergistic AI Systems

arXiv:2606.11560v1 Announce Type: cross Abstract: Large Language Models (LLMs) have advanced rapidly, but their limitations in structured and multi-hop reasoning underscore the need for graph-native, synergistic artificial intelligence (AI) systems. Graph-structured data underpins critical applications across social, biological, financial, transportation, web, and knowledge domains, making it essential to understand how LLMs can leverage graph computation for grounded, context-rich inference. Three complementary synergies are emerging: LLMs augmented with graph computation for retrieval and reasoning; bidirectional integration between LLMs and knowledge graphs (KGs), where LLMs support KG construction and curation while KGs enforce semantic constraints and factual consistency; and AI agents strengthened by graph algorithms for planning, decision making, and multi-step reasoning. In parallel, LLMs introduce new capabilities for graph data management and graph machine learning (ML) through natural language interfaces and hybrid LLM-graph neural network (GNN) pipelines. This tutorial synthesizes the algorithms, systems, and design principles driving these converging directions, offering data science and data mining researchers a unified perspective on integrating LLMs, graph data management, graph mining, graph ML, and agentic computation into next-generation graph-native AI systems.

23.
PLOS Computational Biology 2026-06-22

Beyond the canonical: The role of post-transcriptional regulation in drug-target interaction prediction

by Md Istiaq Ansari, Khandakar Tanvir Ahmed, Debby D. Wang, Kirill Medvedev, Wei Zhang Protein isoforms produced from the same gene through post-transcriptional regulatory mechanisms, such as alternative splicing, can substantially alter protein structure and function, including drug-binding properties. However, most existing drug-target interaction (DTI) and drug-target affinity (DTA) prediction models rely exclusively on a single representative protein sequence per gene, typically the canonical or longest isoform, thereby overlooking the functional diversity introduced by alternative isoforms. This assumption can introduce bias, limit generalizability, and compromise the biological validity of model predictions. In this study, we systematically investigate the impact of protein isoform variation on DTI prediction accuracy. Our results show that substituting the canonical sequence with an alternative isoform often leads to substantial declines in predictive performance. Structural and binding affinity analyses further reveal that these discrepancies are frequently associated with changes in predicted binding-site configurations, which we further examine through controlled perturbations of binding-site residues. These experiments suggest that even subtle alterations in binding regions can lead to inconsistent DTI predictions. Overall, our findings uncover a critical limitation in current DTI modeling frameworks and underscore the importance of incorporating isoform-specific information to better reflect biological reality and improve therapeutic relevance. The codes and datasets are available at https://github.com/compbiolabucf/DTIVariant.

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

Adjusted Cup-Product Neural Layer

arXiv:2606.13568v1 Announce Type: new Abstract: Many important observables in physics and geometry are cup products of cochains. The adjusted cup product neural layer has been introduced in this paper. It is a neural primitive that hard wires the cup product with an adjustment term from higher gauge theory. This creates a readout that is gauge invariant by design. Their main theoretical result shows that on a closed cycle the output relies entirely on the adjustment coefficient. Setting this coefficient to zero removes the output completely regardless of other parameters. Thus the adjustment is the only source of gauge invariant signal. They prove this observable is a nonzero quadratic form and is exactly invariant under one and two gauge transformations.

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

SpatialAvatar-0: High-Quality 4D Head Avatar with Multi-Stage Reconstruction

High-quality 4D head avatars from one or a few source portraits are central to telepresence, AR/VR, and digital-human interaction. 3D Gaussian Splatting (3DGS) has emerged as the dominant representation, with two complementary regimes (generalizable feed-forward predictors and per-subject refiners) maturing in parallel. However, existing feed-forward predictors are trained on a single dataset family with a hard-coded source count, inheriting the corresponding domain bias. Per-subject refiners require 300K–600K iterations and rely on adaptive densification that destroys upstream Gaussian layouts, preventing the two regimes from sharing a representation end-to-end. To bridge both regimes we propose SpatialAvatar-0 on a shared FLAME-mesh-bound Gaussian representation: a feed-forward generator with a parameter-free K-source mean-pool and a monocular-temporal to multi-view-spatial two-phase schedule that anchors against identity-prior collapse onto the smaller multi-view set. We further introduce a 10K-iter layout-preserving per-subject refinement loop that freezes the FLAME-binding and Gaussian count and replaces densification with a three-component anti-spike regularization. On VFHQ/HDTF cross-domain zero-shot we surpass the in-domain leader GAGAvatar by +1.5 dB PSNR despite never training on either test domain, and on the SplattingAvatar monocular benchmark we lead every reported metric, surpassing the 300K-iter GeoAvatar by +1.3 dB PSNR at up to 60x shorter per-subject schedule than common SOTA baselines. Website: https://spatialwalk.github.io/SpatialAvatar-0.