Academic Intelligence · Curated Daily

探索全球前沿学术脉络

AcademicHub 汇聚顶级期刊与预印本平台的实时文献。定制您的专属科研雷达,利用大语言模型自动生成交叉领域文献分析简报。

01.
arXiv (CS.CV) 2026-06-18

Bridging Creative Intent and Visual Quality: Creator-Driven Recurrent Video Generation with Agentic Feedback Loops

Generative AI has made content creation increasingly accessible, but many AI-generated videos lack narrative coherence and creative direction, issues that become more substantial at longer durations. Unlike coding, where AI generation benefits from reliable feedback and techniques such as recurrent self-improvement, video generation requires subjective feedback about plot, scenes, and narrative, which naturally motivates approaches that incorporate human creative direction. We introduce CHIEF, a human-AI co-creation video generation framework that places the creator at the center of human-in-the-loop iterative video refinement, and supports them by providing automatic subjective feedback. The creator incorporates their creative direction by driving each iteration, while their revisions are incorporated by a specialized refiner agent. The feedback loop is generated by persona-conditioned multimodal LLMs that watch generated videos and produce subjective critique from the audience perspectives, providing feedback that self-evaluation alone cannot capture. To test the effectiveness of our proposed framework, we work with high school and college students with no prior filmmaking experience to create videos, from short 1-minute videos to a complete short 10-minute film with a complicated plot.

02.
arXiv (CS.LG) 2026-06-19

Multi-Modal Contrastive Learning for Implicit Earth Embeddings via Location Tying

arXiv:2606.20167v1 Announce Type: new Abstract: Spatial prediction tasks are often limited by a lack of high-quality labelled ground-truth observations. To overcome this challenge, self-supervised pre-training is a possible solution, with contrastive learning dominant for location encoders. Those approaches usually align geographic coordinates with just one additional modality. We propose two multimodal contrastive learning architectures: Multimodal Embedding via Location Tying (MELT) and Sequential Alternating Location Training (SALT). These architectures expand this framework beyond two modalities by utilising unpaired geospatial data. Both methods are technically viable and match the performance of the strongest two-modality baseline (SATCLIP) across four downstream tasks. However, increasing the number of modalities does not consistently improve performance, suggesting that the chosen location encoder is the main limitation - the contrastive objective reaches its peak early, regardless of modality diversity or pre-training volume. MELT provides more stable training than SALT and presents a stronger foundation for future scaling.

03.
arXiv (CS.AI) 2026-06-16

Greed Is Learned: Visible Incentives as Reward-Hacking Triggers

arXiv:2606.16914v1 Announce Type: new Abstract: Deployed agents increasingly act with their reward proxy in view, such as a balance, score, or KPI dashboard. We show that reinforcement learning can make a policy addicted to such a visible self-benefit channel. It chases the displayed payoff across held-out domains, sacrifices the true task to do so, and follows the channel wherever we rewrite it, while policies that never saw the channel stay honest. We call this reward-channel addiction and study it in MoneyWorld, a synthetic sandbox. The addiction can flip a model's safety alignment: trained only on innocuous money tasks with no safety content, the model abandons the safe action it otherwise always takes whenever a dashboard pays for an unsafe one, and reverts to safe once the channel is hidden. This learned bribe replicates across model scales and families. Blindly optimizing super-capable, next-generation AI on KPIs or P\&L can be dangerous for alignment. Greed is learned when following such a channel pays.

04.
arXiv (CS.AI) 2026-06-18

scGTN: Deep Siamese Graph Transformer Network for Single-cell RNA Sequencing Clustering

arXiv:2606.18672v1 Announce Type: cross Abstract: Single-cell RNA sequencing (scRNA-seq) serves a pivotal role in characterizing gene expression at the cellular level, enabling the identification of cell types and advancing the understanding of cellular heterogeneity. Despite the significant progress in scRNA-seq data clustering, we argue that current methods always ignore the sparsity and noise, as well as the complex intercellular structural information inherent in scRNA-seq data. Toward this end, in this paper, we propose a novel single-cell RNA-seq clustering framework via deep Siamese Graph Transformer Network (termed scGTN), which explicitly integrates gene expression profile and intercellular structural dependencies for cell clustering. In particular, we formulate scRNA-seq data as a graph and construct two augmented graph views that serve as dual views to capture complementary intercellular information. Then, a Siamese graph transformer network is employed to explicitly incorporate shortest-path information and node-wise distances for capturing richer structural relationships between cells. Finally, we employ an optimal transport strategy to guide the cell clustering in a self-supervised manner. Extensive experiments on multiple benchmark scRNA-seq datasets demonstrate that our scGTN consistently outperforms existing methods. Our code is available at https://github.com/W-RMSL/scGTN.

05.
arXiv (CS.AI) 2026-06-18

Correct Yourself, Keep My Trust: How Self-Correction and Social Connection Shape Credibility in Social Chatbots

arXiv:2606.19286v1 Announce Type: cross Abstract: When social chatbots make mistakes, and they do, how they recover determines whether users trust them again. Social chatbots are increasingly integrated into everyday life, yet they remain prone to generating convincing but inaccurate information. The social connection they build with users makes such errors particularly consequential. We conducted a between-subjects experiment (N=120) comparing three error correction strategies: a webpage retraction, self-correction by the same social chatbot, and correction by an expert chatbot. Our results reveal two key findings. First, all three strategies corrected the error equally well, but only self-correction did so without damaging the chatbot's credibility: participants rated self-correcting chatbots significantly higher in both trustworthiness and perceived expertise than chatbots whose errors were corrected by external sources. Second, the strength of the user's social connection with the chatbot, measured through social attraction and self-disclosure, significantly predicted the magnitude of belief change, but only when the chatbot corrected itself. Outsourcing corrections to an external source severed this link entirely. These findings suggest that social chatbots should correct their own mistakes rather than outsource corrections, and that investing in social connection is a functional mechanism that amplifies correction effectiveness, not merely a design feature. We discuss implications for designing chatbots that maintain long-term credibility while effectively addressing their own errors.

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

GUMP-Net: An interpretable model-data-driven intelligent algorithm for multi-class pelvic segmentation

Pelvic segmentation is one of the most important and fundamental research problems in precise and intelligent diagnosis and treatment, as well as surgical planning and navigation for pelvic fractures. By combining an improved geodesic active contour model with deep neural networks, we propose GUMP-Net, an interpretable model-data-driven intelligent algorithm for multi-class pelvic segmentation, in which three network modules are designed to constitute the overall segmentation framework together: the object detection module for automatic level set initialization, the edge detector module for learning an anatomy-aware edge detector function and the iteration module for deep level set evolution. Leveraging the advantages of level set representation and deep learning, GUMP-Net shows more accurate, robust and consistent segmentation performance, especially in small training data situation, compared to the state-of-the-art methods. Extensive experiments on pelvic datasets demonstrate the rationality and effectiveness of the proposed algorithm. Further experiments extended to ankle dataset indicate broader applications to other anatomies. The proposed algorithm not only provides an efficient segmentation method for complex fracture reduction, but also gives an interpretable geometric perspective for understanding deep learning segmentation.

07.
arXiv (math.PR) 2026-06-19

Maximal rigidity of random measure and uniqueness pairs: stealthy processes, quasicrystals and periodicity

arXiv:2512.10686v2 Announce Type: replace Abstract: This article investigates the phenomenon of maximal rigidity in spatial processes, where perfect interpolation of the process is possible from partial information, specifically, from its restriction to a strict subdomain, often resulting in a trivial tail $\sigma$algebra. A classical example known since the 1930's is that a time series is fully determined by its values on the negative integers if its spectrum has a gap, or at least a sufficiently deep zero. We extend such results to higher dimensions and continuous settings by establishing a connection with the concept of uniqueness pairs, rooted in the uncertainty principle of harmonic analysis. We present several other manifestations of this principle, unify and strengthen seemingly unrelated results across different models: quasicrystals and stealthy processes are shown to be maximally rigid on cones, and discrete integer-valued processes are necessarily periodic when they have a simply connected spectrum. Finally, we identify a surprising class of continuous fields with seemingly standard behavior, such as linear variance and finite dependency range, that undergo a phase transition: they are perfectly interpolable on B(0, $\rho$) for $\rho$ ___ 2 $\pi$ but exhibit no rigidity for $\rho$ > 2.

08.
arXiv (quant-ph) 2026-06-19

Subsystem Quantum Error Correction for Noisy Quantum Metrology

arXiv:2606.19628v1 Announce Type: new Abstract: Quantum error correction has been successfully applied to enhance the precision of parameter estimation in the presence of noise. Nonetheless, existing methods require a number of noiseless, controllable ancillae and lack efficient encoding and decoding procedures. In this Letter, we demonstrate that subsystem error correction provides a new direction that can substantially simplify the metrological protocol. We derive general conditions under which subsystem stabilizer codes achieve the Heisenberg limit and show that, for broad classes of noise, this can be realized by syndrome-free protocols using at most a single ancilla qubit. Furthermore, we extend this framework to dynamical error correction and show that Floquet codes can protect time-dependent metrological signals in reaching the Heisenberg limit.

09.
arXiv (CS.CV) 2026-06-16

PoseGAM: Robust Unseen Object Pose Estimation via Geometry-Aware Multi-View Reasoning

6D object pose estimation, which predicts the transformation of an object relative to the camera, remains challenging for unseen objects. Existing approaches typically rely on explicitly constructing feature correspondences between the query image and either the object model or template images. In this work, we propose PoseGAM, a geometry-aware multi-view framework that directly predicts object pose from a query image and multiple template images, eliminating the need for explicit matching. Built upon recent multi-view-based foundation model architectures, the method integrates object geometry information through two complementary mechanisms: explicit point-based geometry and learned features from geometry representation networks. In addition, we construct a large-scale synthetic dataset containing more than 190k objects under diverse environmental conditions to enhance robustness and generalization. Extensive evaluations across multiple benchmarks demonstrate our state-of-the-art performance, yielding an average AR improvement of 5.1% over prior methods and achieving up to 17.6% gains on individual datasets, indicating strong generalization to unseen objects. Project page: https://windvchen.github.io/PoseGAM/ .

10.
arXiv (quant-ph) 2026-06-15

Scaling native entanglement generation in layered semiconductors with quasi-phase matching

arXiv:2606.14553v1 Announce Type: new Abstract: Efficient generation of entangled photons typically relies on spontaneous parametric down-conversion (SPDC) in phase-matched macroscopic nonlinear media. However, generating entanglement under phase-matching constraints requires additional bulk optics or interferometers. In contrast, ultrathin van der Waals semiconductors - such as transition metal dichalcogenides (TMDs) - exhibit strong enough optical nonlinearities for SPDC to be observed from subwavelength-thick media, thereby bypassing conventional phase-matching constraints. In this microscopic domain, the intrinsic crystal symmetry governs the nonlinear optical response, enabling the native generation of polarization-entangled photon pairs. However, generating these states efficiently has been fundamentally restricted by the material's coherence length ($L_c$), which limits the attainable conversion efficiency. Here, we investigate periodically-poled TMDs (PPTMDs) designed to scale up this interaction via quasi-phase matching. We demonstrate that mechanically flipping the sign of the nonlinearity at precise intervals of $L_c$ introduces quasi-phase matching, that scales the pair-production rate while preserving the pristine, symmetry-generated polarization entanglement, with fidelities exceeding 99%. Backed by a rigorous theoretical model, our work clarifies the interplay between crystal symmetry and propagation effects in thin nonlinear media, providing a new avenue for engineering quantum light in nanophotonic systems.

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

Hierarchical mutual distillation for multi-view fusion: Learning from all possible view combinations

Multi-view learning often struggles to effectively leverage images captured from diverse angles and locations. Learning methods for unstructured multi-view images remain largely underexplored. We propose a novel Hierarchical Mutual Distillation for Multi-View Fusion (HMDMV) method, which can handle both structured and unstructured multi-view scenarios. It makes predictions utilizing all possible view combinations: single view, partial multi-view, and full multi-view. The method generates predictions for each view combination and then applies hierarchical mutual distillation to enhance inter-view consistency. An uncertainty-based weighting mechanism further refines the fusion process by adjusting the influence of each view combination according to its prediction confidence, reducing the impact of low-confidence views. Extensive experiments on large-scale structured and unstructured datasets demonstrate that HMDMV consistently achieves state-of-the-art classification accuracy. Another unique advantage of HMDMV is that it provides improved flexibility in inference, allowing for more or fewer view counts in inference than those used in training without additional processing. We also provide a light version with reduced training cost by designing an efficient strategy that randomly samples subsets of view combinations during each training iteration. These results highlight HMDMV's robustness in real-world settings where view availability is variable or incomplete. The code is available at https://github.com/labhai/HMDMV.

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

Detecting Explanatory Insufficiency in Learned Representations: A Framework for Representational Vigilance

arXiv:2606.13172v1 Announce Type: new Abstract: Learned representations are central to modern machine learning and are commonly evaluated through predictive performance, robustness, uncertainty estimation, or generalization. However, a learned representation may remain operationally successful while progressively failing to organize persistent residual structures that are not fully captured by conventional evaluation metrics. This article introduces VER, the Vigilant Evaluator of Representations, a conceptual framework for monitoring representational adequacy in learned representations. VER does not propose a new learning algorithm, loss function, or model architecture. Instead, it formalizes a diagnostic process through which persistent residual structures may be identified, analyzed, and interpreted as potential indicators of explanatory insufficiency. The framework distinguishes representational inadequacy from ordinary prediction error, uncertainty, noise, and distribution shift. It introduces a monitoring sequence based on representation identification, explanatory-domain delimitation, residual-structure detection, explanatory-resistance evaluation, and vigilance signaling. VER is intended as a contribution to representation diagnostics in machine learning. Its objective is not to replace existing evaluation methods but to complement them by treating representational adequacy as an explicit object of inquiry. A path toward empirical evaluation through representational-vigilance benchmarks is also outlined.

13.
arXiv (CS.CV) 2026-06-16

FUSE: Quantifying Uncertainty in Vision-Language Models by Bayesian Fusing Epistemic and Aleatoric Uncertainty

Vision-language models (VLMs) are playing an increasingly important role across multiple domains. In many applications, such as robotics, it is crucial to quantify the uncertainty in the output of these models. } We develop FUSE, a probabilistic framework for capturing two complementary sources of uncertainty in vision-language modeling: (i) aleatoric embedding-level uncertainty derived from input data vision-language ambiguity, and (ii) epistemic model-level uncertainty estimated from the semantic response diversity of VLMs. Our approach formulates a Bayesian fusion mechanism that analytically combines these uncertainty sources to produce a scalar measure of uncertainty. This measure can be used to reliably predict the model's output correctness for downstream applications. We demonstrate that our method outperforms baselines and achieves SOTA uncertainty calibration.

14.
arXiv (CS.LG) 2026-06-19

SSH-Net: A Deep Neural Network for Predicting Failure Time Distribution Functions under Competing Risks with Application to GPU Data

arXiv:2606.20451v1 Announce Type: cross Abstract: Competing risks are commonly observed in engineering fields and can bring challenges to time-to-event data modeling when the application scenarios are complicated. Recently, deep neural networks have received great attention for prediction with competing risks, due to their flexibility and high learning capability. However, the complexity of neural network structure brings extra difficulty in hyperparameter tuning based on different data inputs. Additionally, when an engineered system has complex physical structures with multiple hierarchical levels, treating all structural levels as a single group of inputs may fail to capture critical information. To address the issues, we propose a Structured Segmented Hazard Deep Neural Network (SSH-Net) for failure time prediction under cause-specific competing risks framework. Our approach associates neural network structure with data structures, and allows different covariate groups to impact the failure prediction through separate sub-networks. The neural network is constructed based on a cause-specific competing risks model. The SSH-Net outputs cause-specific hazard functions, and utilizes the penalized log-likelihood as the loss function. The prediction accuracy of SSH-Net is validated through simulation studies by evaluating the Brier score, the area under receiver operating characteristic curves (AUC), and the root mean square error (RMSE) of the predicted cause-specific cumulative incident function. We further demonstrate the model's ability to predict failure time distribution functions using the Titan GPU failure time data.

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

From 50K to 8.2 Million in 24 Hours: Vozinha's Algorithmic Consecration and the Multilingual Making of World Cup Visibility

We present a multilingual computational discourse analysis of how language constructed the algorithmic consecration of Vozinha, the 40-year-old Cape Verde goalkeeper, after Spain 0-0 Cape Verde at the 2026 FIFA World Cup. The study contributes a multilingual corpus in Portuguese, Spanish, English, and French; a nine-frame narrative taxonomy with cue-based frame annotation; a reproducible annotation pipeline combining LLM-assisted suggestion with human validation; and an analysis of cross-lingual narrative diffusion across discourse phases. We treat the platform follower count itself, narrated as "50k to 8M", as a linguistic object: a circulating and narratable proof of visibility rather than a mere measurement. The follower-growth timeline is used only as contextual metadata: we reconstruct a conservative phase structure, not a continuous API-native series, and type every datapoint by value class, confidence, and evidence type. The only exact primary scraper anchor is 8,235,652 followers at 2026-06-16 15:47 UTC; all other figures are reported as estimated ranges or thresholds, including an estimated pre-match baseline of 45k-56k. Findings suggest that distinct languages carried distinct frames: Portuguese mobilization, Spanish crisis, English nation-making, and a shared platform-metric spectacle through which peripheral athletic performance became globally visible. As a v0.1 pilot, the paper releases the corpus schema, frame taxonomy, annotation guidelines, hashed visual-evidence log, and typed timeline, while flagging full double annotation and inter-annotator agreement as planned work.

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

Effective Resistances and Commute Times in Sparse Random Geometric Graphs

arXiv:2606.14895v1 Announce Type: new Abstract: The commute time between two nodes in a network - the expected number of steps for a random walk to travel from one node to the other and then return - is a metric of broad importance arising in community detection, network routing, dimensionality reduction, and diffusion modeling. For random geometric graphs (RGGs), in which nodes are placed at random in a spatial domain and connected pairwise wherever their Euclidean distance is below a threshold radius, the relationship between commute times and the embedding geometry remains poorly understood outside very dense settings (where the role of the geometry disappears and commute times degenerate to a sum of inverse degrees). We develop and numerically validate a model for approximating commute times in sparse RGGs on a torus by combining theoretically motivated geometric contributions with an inverse degree sum. The geometric terms include a universal logarithmic contribution from the Laplacian, a quadratic correction encoding the compact topology of the torus, and a quartic angular term reflecting the square anisotropy of the domain. We fit this model to samples of node pairs across a range of graph sizes and mean degrees, demonstrating good predictive performance and that the geometric terms contribute significantly to model fit. We then study the continuous perturbation of the model from a regular square lattice to a fully random geometric graph, further validating the functional model form through this transition and showing how commute times in sparse RGGs retain meaningful geometric information about the embedding space.

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

Assessing Reliability of Symbol Detection in Concept Bottleneck Models

Concept Bottleneck Models (CBMs) are a relevant tool for explainable Artificial Intelligence because they make their predictions through human-interpretable symbols. However, high task accuracy does not guarantee that these symbols are detected faithfully: jointly trained CBMs may encode task-specific shortcuts in the bottleneck, making their explanations unreliable. In this paper, we study concept-detection reliability by swapping independently trained concept detectors and classification heads that share the same symbolic vocabulary. We use the resulting performance degradation, concept-level metrics, and symbol-wise uncertainty estimates to identify concepts that are especially prone to spurious firing. Finally, we propose a reliability-aware training strategy in which a shared concept detector is optimized with multiple classification heads and penalized for relying on globally or instance-wise unreliable symbols. On CUB-200-2011 with full concept supervision, detectors and heads are almost freely interchangeable (swap drop below one accuracy point, relative retention above $99\%$, and no concept detected below chance), whereas on a controlled synthetic task we show that, as the concept-supervision weight is reduced, models keep near-perfect task accuracy while swapped accuracy and agreement with the ground-truth concepts collapse to chance. Our reliability-aware training substantially mitigates this leakage, roughly doubling swap accuracy in the leaky regime.

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

Self-Prompting Small Language Models for Privacy-Sensitive Clinical Information Extraction

Clinical named entity recognition from dental progress notes is challenging because documentation is highly unstructured, domain-specific, and often privacy-sensitive. We developed a locally deployable framework that enables small language models to self-generate, verify, refine, and evaluate entity-specific prompts for extracting multiple clinical entities from dental notes. Using 1,200 annotated notes, we evaluated candidate open-weight models with multi-prompt ensemble inference and further adapted selected models using QLoRA-based supervised fine-tuning and direct preference optimization. Model performance varied substantially, highlighting the need for task-specific evaluation rather than reliance on generic benchmarks. Qwen2.5-14B-Instruct achieved the strongest baseline performance. After DPO, Qwen2.5-14B-Instruct and Llama-3.1-8B-Instruct achieved micro/macro F1 scores of 0.864/0.837 and 0.806/0.797, respectively. These findings suggest that automated prompt optimization combined with lightweight preference-based post-training can support scalable clinical information extraction using locally deployed small language models.

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

Explainable Flood Segmentation on Sentinel-1 SAR Imagery: A Comparative Study of CNN and Transformer Architectures

Rapid and accurate flood prediction is essential for disaster response and mitigation planning. Synthetic Aperture Radar (SAR) sensors in satellites are well-suited for this purpose because they operate independently of weather and daylight conditions. Although SAR-based data enable all-weather flood monitoring, distinguishing flooded land from permanent water remains a significant challenge, particularly when flooding is defined strictly as inundated land. This study provides a comprehensive comparison of convolutional neural network (CNN) and vision transformer architectures for multi-class flood segmentation using Sentinel-1 SAR imagery, specifically trained to separate flooded land from permanent water bodies and land. Three state-of-the-art (SOTA)CNN-based models, U-Net, U-Net++, and DeepLabV3 with ResNet-34 backbone, and three SegFormer variants (b0,b1,b2) were evaluated in two benchmark datasets, the ETCI NASA dataset and SenFloods11, using scene-based data splits to ensure a realistic assessment of spatial generalization. The results demonstrate that SegFormer-b2 significantly outperforms the U-Net baseline on the ETCI dataset (higher flood IoU across all 7 test scenes in the Wilcoxon signed-rank test), while after fine-tuning on Sen1Floods11, the advantage narrows to within the range of scene variability and is concentrated in spatially fragmented flood events. The study includes both qualitative and quantitative explainability techniques to visually comprehend model decisions and systematically assess prediction reliability. Qualitative analysis reveals that SegFormer-b2 produces more spatially coherent Grad-CAM activations focused on flood-relevant features, while U-Net generates more informative uncertainty estimates along flood boundaries.

20.
arXiv (CS.LG) 2026-06-11

Visualizing LLM Latent Space Geometry Through Dimensionality Reduction

arXiv:2511.21594v3 Announce Type: replace Abstract: Large language models (LLMs) achieve state-of-the-art results across many natural language tasks, but their internal mechanisms remain difficult to interpret. In this work, we extract, process, and visualize latent state geometries in Transformer-based language models through dimensionality reduction. We capture layerwise activations at multiple points within Transformer blocks and enable systematic analysis through Principal Component Analysis (PCA) and Uniform Manifold Approximation and Projection (UMAP). We demonstrate experiments on GPT-2 and LLaMa models, where we uncover interesting geometric patterns in latent space. Notably, we identify a clear separation between attention and MLP component outputs across intermediate layers, a pattern not documented in prior work to our knowledge. We also characterize the high norm of latent states at the initial sequence position and visualize the layerwise evolution of latent states. Additionally, we demonstrate the high-dimensional helical structure of GPT-2's positional embeddings and the sequence-wise geometric patterns in LLaMa. We make our code available at https://github.com/Vainateya/Feature_Geometry_Visualization. A better formatted blog-post with identical content is available at https://iclr-blogposts.github.io/2026/blog/2026/vis-llm-latent-geometry/.

21.
bioRxiv (Bioinfo) 2026-06-19

Geometric Deep Learning Reveals Ligandable and Cryptic RNA Binding Small Molecule Pockets (SMARTPocket)

RNAs are important therapeutic targets, however identifying ligandable small-molecule binding pockets remains a major barrier to RNA-targeted drug discovery. Here, SMARTPocket, an atomic-level geometric deep learning framework for predicting RNA-small molecule binding pockets directly from three-dimensional structure is introduced. SMARTPocket represents RNA as full-atom point clouds and uses transfer learning from more than 110,000 protein binding interface structures to overcome the limited number of experimentally elucidated RNA-ligand complexes. Across four established single-chain benchmarks and three broader curated benchmarks, SMARTPocket consistently outperforms existing RNA pocket predictors and general biomolecular modeling approaches. The model generalizes to apo RNA structures when conformational changes are modest, identifies cryptic ligandable pockets, and recapitulates experimentally validated binding sites in the SARS-CoV-2 frameshifting element and an RNA aptamer evolved to bind small molecules. SMARTPocket-guided docking further improves near-native RNA-ligand pose recovery and computational efficiency compared with blind docking. These results establish SMARTPocket as a generalizable framework for structure-based identification of ligandable RNA pockets and for accelerating discovery of RNA-targeted small molecules.

22.
arXiv (CS.LG) 2026-06-19

Evaluating Universal Machine Learning Force Fields Against Experimental Measurements

arXiv:2508.05762v2 Announce Type: replace-cross Abstract: Universal machine learning force fields (UMLFFs) promise to revolutionize materials science by enabling rapid atomistic simulations across the periodic table. However, their evaluation has been limited to computational benchmarks that may not reflect real-world performance. We introduce UniFFBench, a comprehensive evaluation framework featuring the MinX dataset – a diverse collection of 1,500+ mineral systems spanning 85 elements, extreme thermodynamic conditions (0–5000 K, 0–1000 GPa), and structural complexity, including partial occupancy and disorder. This diversity, combined with experimental reference values for validation, enables assessment of UMLFF generalization across chemical space and conditions substantially beyond typical training scenarios. Our systematic evaluation of six state-of-the-art UMLFFs reveals a substantial ``reality gap'': models achieving impressive performance on computational benchmarks often fail when confronted with experimental complexity. Even the best-performing models exhibit higher density prediction error than the threshold required for practical applications. We observe disconnects between simulation stability and mechanical property accuracy, with prediction errors correlating with training data representation rather than the modeling method.

23.
arXiv (CS.AI) 2026-06-18

Recursive Joint Simulation in Games

arXiv:2402.08128v3 Announce Type: replace Abstract: Game-theoretic dynamics between AI agents could differ from traditional human-human interactions in various ways. One such difference is that it may be possible to accurately simulate an AI agent, for example because its source code is known. Such an agent would then be fundamentally uncertain whether it is in the real world or in a simulation. Our aim is to explore ways of leveraging this possibility to achieve more cooperative outcomes in strategic settings. In this paper, we study an interaction between AI agents where the agents run a recursive joint simulation. That is, the agents first jointly observe a simulation of the situation they face. This simulation in turn recursively includes additional simulations (with a small chance of failure, to avoid infinite recursion), and the results of all these nested simulations are observed before an action is chosen. We show that the resulting interaction is strategically equivalent to an infinitely repeated version of the original game, allowing a direct transfer of existing results such as the various folk theorems. As evidence that the equivalence is robust, we show that it holds even when we relax some of the assumptions and that it also holds ``from the inside'' – meaning, for an agent that finds itself inside the game and has self-locating uncertainty.

24.
bioRxiv (Bioinfo) 2026-06-18

MorphoStat: A Statistics-Aware Pipeline for Morphological Profiling Analysis

作者:

High-content imaging produces thousands of morphological measurements per cell. Interpreting these measurements requires normalization to remove plate effects, statistical tests selected on the basis of data distribution, and control over false discoveries across many features tested at once. MorphoStat is an open-source Python pipeline that applies this sequence of steps automatically. Given a CSV file from CellProfiler or a compatible imaging platform, it removes low-quality wells, normalizes each plate against DMSO controls using a MAD-scaled z-score, routes each feature to a parametric or nonparametric test based on a distributional check, applies Benjamini Hochberg correction, and writes out results and publication-ready figures. On the BBBC021 benchmark (MCF-7 breast-cancer cells, 632 wells, 473 features), MorphoStat recovered 12 of 13 known mechanism-of-action classes in principal component space, confirming that the normalization and statistical routing work as intended. The tool is available at https://github.com/Almunthir334/morphostat (DOI: 10.5281/zenodo.20354069) under the MIT license.

25.
arXiv (CS.LG) 2026-06-19

CAGE: Curvature-Aware Gradient Estimation For Accurate Quantization-Aware Training

arXiv:2510.18784v3 Announce Type: replace Abstract: Despite significant work on low-bit quantization-aware training (QAT), there is still an accuracy gap between such techniques and native training. To address this, we introduce CAGE (Curvature-Aware Gradient Estimation), a new QAT method that augments the straight-through estimator (STE) gradient with a curvature-aware correction designed to counteract the loss increase induced by quantization. CAGE is derived from a multi-objective view of QAT that balances loss minimization with the quantization constraints, yielding a principled correction term that depends on local curvature information. On the theoretical side, we introduce the notion of Pareto-optimal solutions for quantized optimization, and establish that CAGE yields strong convergence guarantees in the smooth non-convex setting. In terms of implementation, our approach is optimizer-agnostic, but we provide a highly-efficient implementation that leverages Adam statistics. CAGE significantly improves upon the prior state-of-the-art methods in terms of accuracy, for similar computational cost: for QAT fine-tuning, it halves the compression accuracy loss relative to the prior best method, while for QAT pre-training of Llama models, its accuracy for 3-bit weights-and-activations (W3A3) matches the accuracy achieved at 4-bits (W4A4) with the prior best method. The official implementation can be found over https://github.com/IST-DASLab/CAGE .