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01.
arXiv (CS.AI) 2026-06-16

GIST-CMTF: Goal-State Inference for Causal Minimal Tool Filtering in LLM Agents

arXiv:2606.16813v1 Announce Type: new Abstract: Tool-augmented LLM agents rely on runtime filtering to decide which tools should be visible at each step. Causal Minimal Tool Filtering (CMTF) reduces tool-choice confusion by exposing only the next causally necessary tool frontier, but it assumes that the user request has already been mapped to a symbolic goal state. In practice, requests such as "handle my appointment" or "take care of this email" may correspond to multiple possible goals. This creates wrong-goal execution, where an agent follows a valid causal tool path for an unintended objective. We introduce GIST-CMTF, a goal-state inference layer that predicts candidate symbolic goals over the same state-transition vocabulary used by CMTF, estimates ambiguity, and either applies CMTF or exposes clarification as a causal action that produces missing goal or state variables. We evaluate GIST-CMTF across seven model backends, six filtering methods, and 120 controlled tool-use tasks. GIST-CMTF achieves 97.0% task success, compared with 80.1% for top-goal CMTF and 82.9% for semantic-goal CMTF. It reduces wrong-goal execution from 19.4% under top-goal CMTF to 2.5%, while preserving the one-tool exposure of causal filtering and using substantially fewer tokens than all-tools exposure. These results suggest that reliable tool-augmented agents should validate goal state, not only tool relevance, before exposing external actions.

02.
arXiv (CS.AI) 2026-06-12

Multiagent Protocols with Aggregated Confidence Signals

arXiv:2606.13591v1 Announce Type: new Abstract: Confidence is used for reliability, oversight, and a range of downstream decision tasks in Natural Language Processing (NLP), yet no existing method produces or evaluates a confidence for the output of a multiagent system. Prior work uses confidence within multiagent debate (MAD) to weight messages, trigger debate, or calibrate individual agents, but it never aggregates these into a single confidence for the system itself. We introduce three protocols that produce a final answer along with a single aggregated confidence by first transforming raw confidence signals to make them comparable across models, then combining them via soft voting or a probability fusion we call Bayesian fusion. This aggregated confidence is substantially more discriminative (AUARC) than that of the best single agent or the standard debate baselines, while correctness (F1-score) stays stable and recovers the losses MAD incurs on more ambiguous tasks. Analyzing two estimators, sequence probability and self-report, alongside parametric and non-parametric calibrators, we find that calibration improves F1 for both estimators while AUARC is less reliant on it. We evaluate six homogeneous and heterogeneous debating pairs per benchmark, across five benchmarks and four task types, spanning a range of model capabilities and sizes.

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

StainFlow: Entity-Stain Tracking and Evidence Linking for Process Rewards in GUI Agents

arXiv:2606.07027v2 Announce Type: replace Abstract: Reinforcement Learning (RL) has become a promising approach for improving GUI Agents in long-horizon, stochastic digital environments, but trajectory-level success feedback is too sparse to provide reliable credit assignment for intermediate exploration steps. To mitigate this issue, recent studies introduce Process Reward Models (PRMs), which provide finer-grained training feedback through global milestone verification or local step-level evaluation. However, these methods still suffer from two level-specific limitations: global milestone decomposition is subjective and singular, making it difficult to accommodate the multiple valid execution paths in real GUI tasks, while fixed local judging windows may miss long-range key evidence or dilute the decision signal with irrelevant frames. Inspired by stain-tracing mechanisms in network flow analysis, we propose StainFlow, an entity-stain-flow process reward model for GUI Agents. To reduce the subjectivity of global partitioning, we introduce the Global Entity Stain Tracking module, which extracts visually verifiable task entities and tracks how their stain concentrations and states evolve along the trajectory, allowing task phases to be objectively separated by changes in the entity evidence flow. To improve the accuracy of local verification, we introduce the Local Stain Evidence Linking module. Centered on the triggering entities of each candidate key node, it retrieves relevant steps based on their stain concentrations and state changes, and dynamically constructs high-density evidence windows for verifying true key nodes. Extensive experiments on AndroidWorld and OGRBench show that StainFlow relatively improves online RL success by 3.2% and trajectory completion judgment accuracy by 1.8%.

04.
arXiv (CS.CV) 2026-06-19

SSD: Spatially Speculative Decoding Accelerates Autoregressive Image Generation

Autoregressive models excel in visual generation by treating images as 1D sequences of discrete tokens, mirroring language modeling. However, this flattening discards the intrinsic 2D spatial locality of visual signals, creating severe computational bottlenecks during inference. We introduce Spatially Speculative Decoding (SSD), a framework that aligns the predictive objective with the natural geometry of images. Rather than predicting only the immediate next token in a 1D sequence, our model simultaneously predicts the adjacent horizontal token and the token directly below it. By capitalizing on this 2D spatial correlation, spatially speculative decoding overcomes the memory wall in visual inference. Our approach accelerates autoregressive image generation by up to 13.3x while maintaining high fidelity on DPG-Bench and GenEval. Our results suggest that respecting the underlying geometry of vision unlocks massive computational efficiencies, paving the way for real-time, high-resolution autoregressive generative models.

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

Score Approximation for Diffusion Models on Arbitrary Low-Dimensional Structures

arXiv:2606.19894v1 Announce Type: new Abstract: The remarkable success of score-based diffusion models has spurred significant efforts to establish their theoretical foundations. However, existing complexity bounds for score approximation rely heavily on restrictive assumptions like Lipschitz continuous densities or smooth manifold supports, which are routinely violated by the singularities, sharp boundaries, and disjoint clusters inherent to real-world perceptual data. This work establishes a universal score approximation theorem that works for any distribution supported on any compact set of upper Minkowski dimension $d$. Using a novel discrete-mixture formulation, we prove that the score function can be approximated with a ReLU network whose complexity grows exponentially only with $d$, thus breaking the exponential curse of ambient dimensionality. Combined with existing theories on accurately solving the backward diffusion SDE for arbitrary compact distributions, our work shows that diffusion models readily adapt to irregular, non-smooth data structures, explaining their competence in real-world generative tasks.

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

TimeLens: On-Device Artifact Recognition with Retrieval-Augmented Question Answering for the Grand Egyptian Museum

TimeLens is an AI-powered bilingual mobile guide for the Grand Egyptian Museum (GEM). Pointing a phone at an exhibit, a visitor sees the artifact recognized in real time and can ask follow-up questions answered in English or Arabic. The work addresses three problems specific to in-gallery deployment: fine-grained visual similarity among 51 catalogued artifacts (many near-identical Ramesside statues), the gap between curated training data and handheld camera conditions, and the risk of an AI guide stating unsupported historical facts. Two engineering contributions are reported. First, an on-device artifact detector was developed through a data-quality-driven iteration study – from foundation-model auto-annotation (YOLO-World), through spatial label-cleaning rules, to a fully hand-annotated dataset – isolating label quality as the decisive factor: the final YOLOv8n model resolves every previously failing class while remaining a 5.97 MB TensorFlow Lite asset that runs in real time on a mid-range phone (mAP@0.5 = 0.995, mAP@0.5:0.95 = 0.924). Second, a bilingual Retrieval-Augmented Generation (RAG) guide, grounded in a 108-record ChromaDB knowledge base, was benchmarked across seven candidate language models, with Gemma 4 E2B (Q4 K M) selected; ten targeted optimizations reduce end-to-end latency from over 30 s to approximately 10 s. Both subsystems are integrated in a production Flutter application with bilingual interface, museum location gating, and text-to-speech support.

07.
arXiv (CS.LG) 2026-06-18

Bridging Data Gaps in Structural Fragility Modeling through Transfer Learning: Methodology and Case Studies

arXiv:2606.18567v1 Announce Type: cross Abstract: This paper presents a methodology-centered transfer learning framework for fragility adaptation under domain shift, class imbalance, and scarce target labels while preserving engineering interpretability and supporting decision-making under uncertainty. Four transfer learning strategies (instance-based, parameter-based, hierarchical Bayesian, and multi-source) are demonstrated through three complementary case studies: (i) instance-based transfer learning via importance weighting, demonstrated on coastal bridge fragility using Hurricane Katrina observations; (ii) parameter-based transfer learning together with hierarchical Bayesian transfer learning, enabling partial pooling across strata and posterior uncertainty quantification, demonstrated on residential building fragility using Hurricane Ian observations; and (iii) multi-source transfer learning that fuses multiple analytical fragility models with learned source weights and regularized target-domain adaptation, demonstrated on seismic bridge fragility using observations from the 2001 Nisqually earthquake. Across these case studies, direct transfer of source models (i.e. using existing state-of-the-art models) fails under domain shift and severe class imbalance, while targeted adaptation substantially improves failure detection and predictive stability in low-data regimes. These findings highlight the need for systematic guidance on diagnostics, strategy selection, and uncertainty reporting when developing and adapting fragility models.

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

Machine-learning-based multipoint optimization of fluidic injection parameters for improving nozzle performance

arXiv:2409.12707v2 Announce Type: replace-cross Abstract: Fluidic injection offers a promising solution to improve the performance of the overexpanded single expansion ramp nozzles (SERNs) during vehicle acceleration. However, determining the injection parameters that yield the best overall performance across multiple nozzle operating conditions remains a challenge. The gradient-based optimization method requires gradients of injection parameters at each design point, which can lead to high computational costs when using computational fluid dynamics (CFD) simulations. This paper uses a pretrained neural network to replace CFD during optimization, enabling quick calculation of the nozzle flow field at multiple design points. Considering the physical characteristics of the nozzle flow field, a prior-based prediction strategy is adopted to enhance the model's accuracy. In addition, the neural network's back-propagation algorithm computes gradients quickly by running the computation only once, thereby greatly reducing gradient computation time compared to the finite difference method. As a test case, the average nozzle thrust coefficient of an SERN at seven design points is optimized, resulting in a 1.14\% improvement. The time cost is greatly reduced compared with traditional optimization methods, even when the time required to establish the training database is included.

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

ParseFixer: An Agentic Framework for Document Parsing via Selective Multimodal Correction

In this report, we present our third-place solution for the DataMFM Challenge Track 1: Document Parsing. This track requires models to recover structured Markdown documents from document page images while preserving textual content and document structure. To address the complementary requirements of accurate content recovery and faithful structure reconstruction, we propose ParseFixer, an agentic framework for backbone parsing and selective correction. ParseFixer consists of two key modules: Full-Page Backbone Parsing (FBP) and Agentic Selective Correction (ASC). FBP produces stable initial Markdown outputs with MinerU2.5 Pro, while ASC detects high-value parsing failures and repairs them through a verify-and-rollback correction process. By placing selective multimodal correction after open-source backbone parsing, ParseFixer improves the recovery of key document elements without rewriting reliable backbone predictions. On the test set, our final system achieves an overall score of 61.78 and ranks third in Track 1, demonstrating its effectiveness for accurate document parsing. Our code will be released at: https://github.com/iLearn-Lab/CVPRW26-ParseFixer.

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

GRIP: Feedback-Guided Prompt Retrieval for Large Multimodal Models

In-Context Learning (ICL) has become a powerful mechanism for adapting Large Language Models (LLMs) to new tasks without fine-tuning. Extending this concept to Large Multimodal Models (LMMs), Multimodal In-Context Learning (M-ICL) relies on retrieving relevant examples, such as images, captions, or question-answer pairs, to guide predictions across tasks like classification, captioning, and visual question answering (VQA). Most existing approaches select in-context examples based on feature-space similarity, assuming that semantically similar samples provide the most useful context. However, our systematic analysis reveals that this assumption does not always hold: visually similar examples are not necessarily those that most effectively enhance in-context learning performance. To address this, we propose the Guided Retrieval of In-context Prompts (GRIP), a learnable vision-only retrieval framework that leverages feedback from LMMs to identify examples that truly improve model predictions. GRIP learns to distinguish beneficial from detrimental in-context examples through contrastive training, refining retrieval beyond pure similarity. Across three multimodal tasks, namely classification, captioning, and VQA, GRIP improves consistently over similarity-based retrieval on Qwen2.5-VL-7B, with its strongest gains in classification on Idefics2-8B. Moreover, we demonstrate that retrievers trained with feedback from one open LMM can be transferred to other models without retraining, including closed-source GPT-4o and Gemini, enabling scalable and cost-efficient deployment of M-ICL. Code will be published upon acceptance.

12.
arXiv (CS.LG) 2026-06-18

Effects of sparsity and superposition on loss in simple autoencoders

arXiv:2606.18538v1 Announce Type: new Abstract: One of the major difficulties in the mechanistic interpretability of neural networks is the occurrence of polysemanticity, which suggests that each neuron is typically responsible for multiple different tasks, impeding a clean interpretation of their function. The seminal paper of Elhage et al. (2022) argues that this occurs due to superposition, a phenomenon where the neural network represents distinct features as non-orthogonal directions in a lower-dimensional space, a strategy that allows much greater compression of the data without sacrificing fidelity due to the feature sparsity of input vectors. Elhage et al. (2022) empirically validates these hypotheses in a rather natural and simple autoencoder with sparse inputs. The contribution of the present work is to analyze the mathematical basis for the occurrence and optimality of superposition, while rigorously corroborating some of their findings. In particular, we provide upper and lower bounds for the L2 reconstruction loss, tight in the very sparse regime, for power activation functions. A short list of interesting open problems are also included at the end.

13.
arXiv (math.PR) 2026-06-16

Geometry of critical discrete structures: long-range percolation on the hierarchical lattice and the discrete torus

arXiv:2509.09589v2 Announce Type: replace Abstract: Consider (a) balls $\Lambda_n$ of growing volumes in the $d$-dimensional hierarchical lattice, and (b) the $d$-dimensional discrete torus $\mathbb{T}_n^d$ on $n^d$ vertices. Place edges independently between each pair of vertices $x\neq y\in\Lambda_n$ or $\mathbb{T}_n^d$ with probability $1-\exp(-\beta J(x, y) )$ where $J(x, y) \asymp \| x-y \|^{-\alpha}$ for some $0

14.
arXiv (CS.AI) 2026-06-12

Multi-Modal Agents for Power Distribution Defect Detection: An Evaluation of Foundation Models

Authors:

arXiv:2606.12969v1 Announce Type: new Abstract: The power distribution network is critical to reliable electricity delivery, yet traditional inspection methods face limitations in semantic understanding, generalization, and closed-loop automation. To address these challenges, this paper proposes a Multi-Modal Agent framework specifically for power distribution defect detection. Central to this study is the systematic evaluation of multimodal foundation models as unified cognitive engines. We rigorously assess their integrated performance across three critical capabilities: (1) Perception, where the model must accurately identify equipment and generate expert-level descriptions of defects; (2) Reasoning, where the model interprets visual findings to diagnose causes, assess severity, and plan maintenance strategies based on domain knowledge; and (3) Tool Usage, where the model acts as an autonomous operator to execute actions – such as querying knowledge bases or generating work orders – to achieve closed-loop maintenance. To support this evaluation, a domain-specific evaluation dataset and a comprehensive benchmark are developed. Experimental results demonstrate the strengths and limitations of current foundation models in these three dimensions, providing empirical evidence for deploying autonomous agents in high-stakes industrial environments.

15.
arXiv (CS.LG) 2026-06-16

Next-Latent Prediction Transformers Learn Compact World Models

arXiv:2511.05963v4 Announce Type: replace Abstract: Transformers replace recurrence with a memory that grows with sequence length and self-attention that enables ad-hoc lookups over past tokens. Consequently, they lack an inherent incentive to compress history into compact latent states with consistent transition rules. This often leads to learning solutions that generalize poorly. We introduce Next-Latent Prediction (NextLat), which extends standard next-token training with self-supervised predictions in the latent space. Specifically, NextLat trains a transformer to learn latent representations that are predictive of its next latent state given the next token. Theoretically, we show that these latents provably converge towards belief states, compressed information about the history necessary to predict the future. This simple auxiliary objective injects a recurrent inductive bias into transformers while leaving their architecture, parallel training efficiency, and inference unchanged. NextLat effectively encourages transformers to form compact internal world models with coherent belief states and transition dynamics – crucial properties not guaranteed by standard next-token prediction alone. Empirically, across benchmarks in world modeling, reasoning, planning, and language modeling, NextLat demonstrates significant gains over standard next-token prediction and other baselines in downstream accuracy, representation compression, and lookahead planning. Furthermore, NextLat enables variable-length self-speculative decoding, accelerating inference by up to 3.3x in language modeling. NextLat offers a simple yet effective paradigm for learning compact, predictive representations in transformers that generalize better. Our code is available at https://github.com/JaydenTeoh/NextLat.

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

Which Speech Representation Better Matches Text-Native Reasoning? A Study of Speech-Text Alignment on Frame Rate and Representation

Spoken dialogue models typically start from text LLM backbones, yet reasoning often degrades when conditioning on speech instead of text. We attribute part of this modality gap to a temporal-granularity mismatch: speech tokens are temporally redundant and far longer than text under matched semantics, diluting per-token semantic density and weakening text-native reasoning dynamics. We study speech token design as a representation selection problem and sweep frame rates under a frozen LLM backbone with a fixed information rate. To make low frame rates feasible, we introduce factorized FSQ and a lightweight non-autoregressive audio LM head, scaling capacity to nearly 300\,bits/frame without sacrificing efficient prediction. With the bottleneck removed, we sweep frame rates (50$\rightarrow$2.08\,Hz) and alignment depth, and observe a consistent best regime for speech QA at 4.17\,Hz with intermediate-layer representation alignment.

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

Edge Flow: A Tractable and Predictive Continuous-Time Model for Gradient Descent at the Edge of Stability

Authors:

arXiv:2606.18080v1 Announce Type: new Abstract: Gradient descent in deep learning may operate at the edge of stability (EoS), a regime in which the largest eigenvalue of the loss Hessian hovers near the stability threshold $2/\eta$, where $\eta$ is the learning rate. Classical analysis tools such as gradient flow and the descent lemma do not apply here, motivating the search for a continuous-time model valid at EoS. We propose Edge Flow, a system of three coupled ordinary differential equations that provides a tractable, faithful, and predictive model of gradient descent dynamics at EoS. Edge Flow decomposes the dynamics into a center, an oscillation direction, and an oscillation magnitude. The center follows a modified gradient flow on a symmetrized loss; the direction tracks a top eigenvector of the Hessian via Rayleigh quotient dynamics; and the magnitude grows or decays exponentially depending on whether the sharpness exceeds or falls below the threshold $2/\eta$. Crucially, sharpness stabilization emerges from the coupled dynamics via a self-stabilization feedback loop. Discretizing Edge Flow only requires two gradient evaluations and one Hessian–vector product at each iteration. We demonstrate empirically that Edge Flow tracks the dynamics of gradient descent at least as faithfully as previously proposed continuous-time EoS models, while in addition resolving the oscillation of the sharpness at the onset of EoS, and that it provides a principled framework for understanding and mitigating instabilities in this regime.

18.
arXiv (quant-ph) 2026-06-19

Quantum Algebraic Diversity: Single-Copy Density Matrix Estimation via Group-Structured Measurements

arXiv:2604.03725v3 Announce Type: replace Abstract: We extend the algebraic diversity (AD) framework from classical signal processing to quantum measurement theory. The Quantum Algebraic Diversity (QAD) Theorem establishes that a group-structured positive operator-valued measure (POVM) applied to a single copy of a quantum state produces a full-rank, group-averaged density matrix estimator whose eigenbasis and eigenvalue ordering track those of the true density matrix, with a bias toward the symmetrized state, analogous to the classical recovery of covariance eigenstructure from a single observation. We establish a Classical-Quantum Duality Map connecting classical covariance estimation to quantum state tomography, and an Optimality Inheritance Theorem showing that classical group optimality transfers to quantum settings via the Born map within the group-averaged family. SIC-POVMs are identified as AD with the Heisenberg-Weyl group and mutually unbiased bases as AD with the Clifford group, revealing the hierarchy $\mathrm{HW}(d) \subseteq \mathcal{C}(d) \subseteq S_d$ that mirrors the classical $\mathbb{Z}_M \subseteq G_{\min} \subseteq S_M$. The double-commutator eigenvalue theorem gives polynomial-time adaptive POVM selection. A worked qubit example shows the group-averaged estimator from a single computational-basis measurement, averaged over a matched $\mathbb{Z}_2$ group, reaching fidelity 0.99 where standard single-basis tomography gives a rank-1 estimate of fidelity 0.80. Monte Carlo simulations for $d = 2$ to $13$ confirm fidelity above 0.90 from a single outcome while standard fidelity degrades as $\sim 1/d$. The growing ratio reflects collapse of the rank-1 standard estimator, not fewer copies per parameter: the biased single-copy estimator reduces the number of distinct measurement settings, not the per-parameter sampling cost, and a genuine copy reduction holds only under exact symmetry.

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

Stability of a Generalized Debiased Lasso with Applications to Resampling-Based Variable Selection

Authors:

arXiv:2405.03063v3 Announce Type: replace-cross Abstract: We propose a generalized debiased Lasso estimator based on a stability principle. When a single column of the design matrix is perturbed, the estimator admits a simple update formula that can be computed from the original solution. Under sub-Gaussian designs with well-conditioned covariance, this approximation is asymptotically accurate for all but a vanishing fraction of coordinates in the proportional growth regime. The proof relies on concentration and anti-concentration arguments to control error terms and sign changes. In contrast, establishing comparable distributional limits (e.g., Gaussianity) under similar assumptions remains open. As an application, we show that the approximation significantly reduces the computational cost of resampling-based variable selection procedures, including the conditional randomization test and a local knockoff filter.

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

TeleMorpher: Toward Robust Simultaneous Motion-Location Editing

arXiv:2606.19676v1 Announce Type: cross Abstract: Diffusion models have achieved remarkable success in image and video generation and editing. While recent studies have extended these efforts toward motion editing, simultaneously transforming both motion and location-despite its practical importance-remains largely unexplored. To better understand robust motion-location editing, we first analyze the fundamental factors that degrade its quality. Based on this analysis, we propose TeleMorpher, one of the first one-shot frameworks to the best of our knowledge, for simultaneous motion-location editing. Our approach leverages motion priors, a target motion-centric video generated from an off-the-shelf model as motion-editing guidance, and the ground truth motion to enable more controllable and precise motion-location editing. Via this, our framework works as follows: (1) we first disentangle the protagonist and the background via pre-trained segmentation and inpainting models. (2) Then, we introduce a training-free pose warping that edits the protagonist's motion with the motion prior as the guidance. (3) The result of warped motion video is directly injected into a baseline motion editor during inference, mitigating the difference between source and target motions while preserving the appearance of the source video. (4) To enhance the reliability of quantitative evaluations, we propose two new LPIPS-based metrics that measure the background consistency before and after the motion editing and the fidelity of motion editing performance via measuring the difference between the extracted protagonist's skeletons from source and target videos. Experiments with in-the-wild videos and the TaiChi dataset demonstrate that TeleMorpher achieves superior performance across both quantitative and qualitative measurements (real-human evaluation), underscoring its effectiveness.

21.
arXiv (CS.LG) 2026-06-17

Learning and Generating Mixed States Prepared by Shallow Channel Circuits

arXiv:2604.01197v4 Announce Type: replace-cross Abstract: Learning quantum states from measurement data is a central problem in quantum information and computational complexity. In this work, we study the problem of learning to generate mixed states on a finite-dimensional lattice. Motivated by recent developments in mixed state phases of matter, we focus on arbitrary states in the trivial phase. A state belongs to the trivial phase if there exists a shallow preparation channel circuit under which local reversibility is preserved throughout the preparation. We prove that any mixed state in this class can be efficiently learned from measurement access alone. Specifically, given copies of an unknown trivial phase mixed state, our algorithm outputs a shallow local channel circuit that approximately generates this state in trace distance. The sample complexity and runtime are polynomial (or quasi-polynomial) in the number of qubits, assuming constant (or polylogarithmic) circuit depth and gate locality. Importantly, the learner is not given the original preparation circuit and relies only on its existence. Our results provide a structural foundation for quantum generative models based on shallow channel circuits. In the classical limit, our framework also inspires an efficient algorithm for classical diffusion models using only a polynomial overhead of training and generation.

22.
bioRxiv (Bioinfo) 2026-06-19

HTS-Oracle v2: Prospective AI-Guided Discovery and Experimental Validation of Small Molecule Modulators Across Multiple Targets

High-throughput screening (HTS) remains the cornerstone of early-phase small molecule discovery yet consistently underperforms against immunotherapy targets, yielding validated hit rates below 0.1%. Here we introduce HTS-Oracle v2, which features rigorous cross-validation that ensures honest performance estimates. HTS-Oracle v2 was trained and validated across four clinically significant immune checkpoint targets (CD28, ICOS, LAG-3, and TIGIT) achieving ROC-AUC values of 0.968, 0.969, 0.875, 0.928 respectively under rigorous cross-validation. For prospective experimental validation, HTS-Oracle v2 was applied to an 8,960-compound Enamine Protein Mimetic Library, selecting only 25 compounds per target for experimental testing using temperature-related intensity change (TRIC) technology, a 99.7% reduction in screening burden. HTS-Oracle v2 identified 4, 5, 4, and 6 validated binders from 25 prospectively selected compounds per target, corresponding to validated hit rates of 16%, 20%, 16%, and 24%, respectively. Notably, 67-80% of all experimentally confirmed hits across the full 8,960-compound library were captured within just 25 model-selected compounds per target. For CD28, this represents a 28-fold improvement over HTS-Oracle v1 (239x versus 8.4x), establishing HTS-Oracle v2 as an efficient platform for AI-guided prospective hit discovery across immunotherapy targets.

23.
arXiv (CS.LG) 2026-06-19

HGCN(O): A Self-Tuning GCN HyperModel Toolkit for Outcome Prediction in Event-Sequence Data

arXiv:2507.22524v3 Announce Type: replace Abstract: We propose HGCN(O), a self-tuning toolkit using Graph Convolutional Network (GCN) models for event sequence prediction. Featuring four GCN architectures (O-GCN, T-GCN, TP-GCN, TE-GCN) across the GCNConv and GraphConv layers, our toolkit integrates multiple graph representations of event sequences with different choices of node- and graph-level attributes and in temporal dependencies via edge weights, optimising prediction accuracy and stability for balanced and unbalanced datasets. Extensive experiments show that GCNConv models excel on unbalanced data, while all models perform consistently on balanced data. Experiments also confirm the superior performance of HGCN(O) over traditional approaches. Applications include Predictive Business Process Monitoring (PBPM), which predicts future events or states of a business process based on event logs.

24.
Science (Express) 2026-06-18

Dynamic asymmetric strain imprinted into substrates by an oxide thin film | Science

Authors: Unknown Author

In film-substrate systems, the substrate role is often considered to be limited to providing static mechanical constraints. Dynamic film-substrate interactions when a structural change in the film modifies the substrate are generally disregarded. Using combined X-ray and electron microscopies, we observed that the electrically induced filament in a VO 2 film created strong asymmetric strain in the underlying Al 2 O 3 substate. This asymmetric substrate strain fed back into the film and defined the filament expansion direction, revealing the importance of film-substrate dynamic interactions in determining film functionality. Furthermore, the strain imprint propagated at least tens of microns deep into the substrate, exceeding the film thickness more than 200 times, potentially enabling substrate functionalization as an active mechanical coupling media in 3D-integrated microelectronics architectures.

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

Convergence Rate Analysis of the AdamW-style Shampoo: Unifying One-Sided and Two-Sided Preconditioning

arXiv:2601.07326v4 Announce Type: replace-cross Abstract: This paper studies AdamW-style Shampoo, an effective variant of the classical Shampoo that won the external tuning track of the AlgoPerf neural network training competition. Our analysis unifies one-sided and two-sided preconditioning. When the exponents of the two preconditioners sum to $1/2$, we establish the convergence rate $\frac{1}{K}\sum_{k=1}^KE\left[||\nabla f(X_k)||_*\right]\leq O(\frac{\sqrt{m+n}C}{K^{1/4}})$, where $K$ represents the number of iterations, $(m,n)$ denotes the dimensions of the matrix-valued parameters, and $C$ matches the constant appearing in the optimal convergence rate of SGD. Theoretically, the nuclear norm and Frobenius norm satisfy $||\nabla f(X)||_F\leq ||\nabla f(X)||_*\leq \sqrt{\min\{m,n\}}||\nabla f(X)||_F$, which suggests that our convergence rate is analogous to the optimal $\frac{1}{K}\sum_{k=1}^KE\left[||\nabla f(X_k)||_F\right]\leq O(\frac{C}{K^{1/4}})$ convergence rate of SGD in the ideal case where $||\nabla f(X)||_*= \Theta(\sqrt{\min\{m,n\}})||\nabla f(X)||_F$ and $m$ and $n$ are of comparable magnitude. Then, we extend our analysis to settings where the preconditioning exponents do not sum to 1/2, and establish convergence with an explicit but more involved rate.