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01.
arXiv (CS.AI) 2026-06-12

Constructing Evaluation Datasets for Procedural Reasoning: Balancing Naturalness, Grounding, and Multi-Hop Coverage

arXiv:2606.12767v1 Announce Type: new Abstract: Evaluating procedural reasoning in AI-supported learning systems requires question-answer datasets that are both learner-like and grounded in the instructional knowledge the system is expected to use. We study how TMK-based question generation strategies affect dataset quality for procedural and multi-hop reasoning. We compare three strategies: strict generation from Task-Method-Knowledge (TMK) models, transcript-first generation with post-hoc TMK filtering, and TMK-aware generation that combines transcripts with structured guidance. To evaluate generated items, we introduce a grounding validation framework based on closed-set evidence units extracted from TMK models. The framework measures whether answers are supported by the underlying representation, whether questions are self-contained, and whether they target multi-hop procedural reasoning. Across 23 instructional topics and 690 generated question-answer pairs, strict TMK generation achieves the strongest overall quality, with 96.5% grounded questions and 92.6% usable questions. Transcript-first generation produces more learner-like questions but more context-dependent or weakly grounded items, while TMK-aware generation yields high raw multi-hop coverage but lower grounding. These results show that procedural richness and natural phrasing do not guarantee representational grounding, motivating explicit representation-aware validation for evaluation datasets in AI-supported learning.

02.
bioRxiv (Bioinfo) 2026-06-12

The Geometry of Allostery: A Laplacian Minor Hierarchy for Many-Body Protein Communication

Quantifying how cooperative, many-body relationships drive allostery in protein networks remains a major challenge. To address this, we develop the Laplacian minor hierarchy, a mathematical framework that characterizes the geometric invariants of a protein network. Lower-order minors yield standard metrics including the partition function and effective distances, whereas higher-order minors define novel topological measures: cooperation indices, each bounded between zero and one, that characterize pathway correlations at increasing levels of complexity, the third-order minor determines whether allosteric pathways are correlated or uncorrelated, and the fourth-order minor quantifies how distinct pathways communicate through intermediary residues. We apply this framework to analyze the evolutionary adaptation of the PSD95pdz3 domain from Class I to Class II ligand specificity via mutations G330T and H372A. The cooperation index demonstrates a distinct evolutionary hierarchy: the G330T mutation establishes distributed pathway couplings that the H372A mutation subsequently exploits, whereas H372A alone produces minimal global changes. Furthermore, the fourth-order analysis identifies His317 as a critical intermediary node bridging the class-switching (330-372) and class-bridging (330-400) allosteric pathways. These results demonstrate that allosteric dependencies emerge only when mutations accumulate in specific combinations, with a hierarchical organization of pathways structured around position 330 and intermediary nodes His317 and Phe400. Rather than predicting allosteric mechanisms, this framework provides a mechanistic explanation for why and how allostery emerges during protein evolution.

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

Perceive, Interact, Reason: Building Tool-Augmented Visual Agents for Spatial Reasoning

While recent vision-language models (VLMs) demonstrate strong multimodal understanding, they remain limited in spatial reasoning tasks that require active evidence acquisition and multi-step visual interaction. This limitation suggests that relying solely on implicit visual representations from vision encoders is insufficient for recovering fine-grained spatial evidence. We introduce PERception-Interaction-reason Agent (PERIA), a tool-augmented visual agent for spatial reasoning tasks across map reasoning, visual probing, and vision reconstruction. PERIA uses two lightweight tool families: vision perception tools for exposing textual, symbolic, and spatial evidence, and vision interaction tools for manipulating visual context, tracing paths, and verifying spatial relations. To train PERIA, we develop a unified recipe that combines supervised tool-use trajectory synthesis, composite rewards, and Observation-Relaxed Group-in-Group Policy Optimization (OR-GIGPO) for effective multi-tool behavior. Experiments on 13 benchmarks from 8 datasets show that PERIA-8B improves over the Qwen3-8B backbone by 10.0% on in-distribution benchmarks and 4.4% on out-of-distribution benchmarks, while outperforming previous state-of-the-art baselines of similar size by 7.0%-14.8%. It also achieves performance comparable to much larger models such as Qwen3-VL-235B-A22B-Thinking and GPT-5, demonstrating the effectiveness of PERIA in enhancing spatial reasoning capabilities.

04.
Nature (Science) 2026-06-09

Don’t compete, collaborate: why collective funding applications are the future

Authors:

Scientists with disparate expertise writing grants together can identify knowledge gaps and drive progress — but systems must change to incentivize them. Scientists with disparate expertise writing grants together can identify knowledge gaps and drive progress — but systems must change to incentivize them.

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

Automating Geometry-Intensive Compliance Checking in BIM: Graph-Based Semantic Reasoning Framework

arXiv:2606.12065v1 Announce Type: new Abstract: Automating compliance check for geometry-intensive regulations remains a significant technical bottleneck in Building Information Modeling (BIM), primarily due to the semantic disparity between high-level regulatory logic and structured IFC data. Existing methods, often reliant on static rule templates, struggle to traverse multi-hop reasoning chains or resolve latent spatial dependencies across multiple building entities. To address these challenges, a Spatial-Geometric Reasoning System for Building Information Modeling (SGR-BIM) is proposed as an integrative graph-driven reasoning framework. SGR-BIM dynamically constructs a cross-modal knowledge graph that aligns user intent, regulatory semantics, and BIM geometry, enabling interpretable reasoning without rigid hard-coding. Validated on 679 expert-verified queries from fire safety codes, the framework achieves 84.3% accuracy, representing an 8.6% improvement over enhanced-tool single-agent baselines. This research provides a graph-based semantic reasoning paradigm, enhancing the transparency and flexibility of automated geometric compliance check workflows in the Architecture, Engineering, and Construction (AEC) industry.

06.
bioRxiv (Bioinfo) 2026-06-18

Metrics for Evaluating Biological AI Model Predictive Accuracy at the Data-Substrate Level

Authors:

Reports in the biological literature disagree on whether a given model can predict a biological outcome from a given data sample — one study finding a model capable, another, on the same kind of data, finding it is not. This is particularly a challenge in relation to LLMs–where the models are large and opaque, with weights and training data inaccessible.textbf{ }Such disagreements cannot be settled by directly inspecting the model. To address this challenge, we considertextbf{ }an alternative approach: assessing whether the data sample is adequate to support the prediction asserted. For a given dataset, its substrate — the underlying structure of the data — determines what any model can recover, independent of architecture or capacity. At the same time, predicting the present state of a biological process and predicting the direction of its future change are different tasks; the second is supportable among AI models only where the data encode direction as determinable from the state — a property we call encoding — and is unsupportable where the same observed state precedes change in opposite directions — a property we call non-identifiability, in the informational rather than the statistical sense. We introduce two generic metrics, Predictive Blindness Risk (PBR) and Prediction Indeterminacy Measure (PIM), that evaluate a data substrate for predictive accuracy directly — without access to model weights, architecture, or training data — and locate the regions of a data substrate where a predictive claim can be supported and where it cannot. Using human biological subjects, we employ the Yale Brain Metastases Longitudinal Data (1,430 human subjects; 11,892 MRI studies; four sequences) and show that direction of change was non-identifiable across regions encompassing the majority of transitions; a nonlinear AI model gained essentially nothing over majority-direction prediction there while recovering direction near-perfectly where the state encoded it; and model accuracy tracked data-substrate resolvability continuously (Spearman {rho} = -0.95 to -1.00). The metrics adjudicate, before any model is trusted and from the data alone, where claims of predictive accuracy — of state, or of the law of change — can be supported.

07.
arXiv (CS.CL) 2026-06-19

The Almost Intelligent Revolution: Options for Scaling Up Deliberation and Empowering People with AI

Authors:

The increasing prominence of Large Language Models (LLMs) in public discourse presents both opportunities and challenges for democratic deliberation. While red teaming strategies help mitigate specific risks, broader concerns persist regarding linguistic constraints, biases, and the sycophantic tendencies of LLMs. This chapter explores how LLMs can be used to significantly scale up and democratise deliberation, particularly in fostering inclusivity and empowering traditionally marginalised groups. Drawing on concepts from Systemic-Functional Linguistics, the chapter examines how variations across language users (for example, with respect to socio-demographic groups) and across language use (for example, with respect to communicative functions) shape participation in AI-supported deliberation. The chapter presents AI-driven deliberation studies and assesses their potential to scaffold argumentation, enhance access, and reduce the influence of exclusionary linguistic norms and biases which are embedded in prestigious registers. At the same time, the chapter cautions against both overclaiming, which leads to unrealistic expectations, and underclaiming, which risks missed opportunities for AI-assisted engagement. The chapter concludes by identifying future research directions to maximise the democratic potential of AI-assisted participation while embedding ethical safeguards to counteract the reproduction of linguistic inequalities.

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

Segment-Level Mandarin Chinese Speech-Based Cognitive Impairment Detection via an Autoencoder with Contrastive Learning

\noindentBackground and Objective: Speech has emerged as a low-cost and non-invasive digital biomarker with considerable potential for cognitive impairment detection. However, limited labeled data and cross-dataset variability remain major challenges for robust speech-based screening systems. \par\noindentMethods: We developed a segment-level representation learning framework for speech-based cognitive impairment detection. Speech recordings were divided into short segments and converted into spectrogram representations. To improve robustness under limited-data conditions, offline and online augmentation strategies were combined with autoencoder-based representation learning and contrastive objectives to enhance discriminative latent representations. \par\noindentResults: Experiments conducted on four independent Mandarin Chinese speech datasets demonstrated stable and competitive performance in both binary and three-class classification tasks, with particularly notable improvements in the clinically challenging three-class setting. Ablation studies further supported the effectiveness of the proposed framework. \par\noindentConclusions: The findings suggest that segment-level speech representation learning may provide a scalable and practical approach for cognitive impairment screening in resource-constrained clinical settings.

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

The Perils of Agency: How Developers Perceive, Prioritize, and Address Risks in Agentic AI Products

arXiv:2606.15485v1 Announce Type: cross Abstract: Agentic AI systems act autonomously, use tools, adapt to context, and operate in complex real-world environments. However, these same characteristics can create or exacerbate product risks. We studied how industry developers (n=35) perceive, prioritize, and address the risks in their agentic AI products. We found that developers' perceptions of risk were closely tied to the qualities that made the product agentic, such as autonomy, tool use, and usage in a real-world context. Developers prioritized product and business risks before considering downstream societal risks like job displacement and end-user privacy. This prioritization also impacted developers' ability and motivation to mitigate agentic risks. Finally, developers lacked mature controls for containing agentic risks, often relying on constraining the same characteristics that make agents useful: e.g., autonomy and goal complexity. These findings reveal a capability vs. risk control tension in agentic AI development: developers need to address risks that emerge from agentic capabilities, yet they currently have limited support for doing so without constraining agentic functionality.

10.
arXiv (CS.CL) 2026-06-17

Speaking in Self-Assessing Tongues: On the Verbalized Confidence of LLMs in Machine Translation

The rapid rise in popularity of large language models (LLMs) for translation calls for a thorough study of the reliability of their confidence in their own outputs. Unlike many generation tasks, translation errors and confidence levels can be useful at different levels of granularity (tokens, words, or spans). Unsupervised approaches based on internal signals like predicted probabilities can be misleading because they reflect certainty among alternatives rather than correctness. In addition, they require access to such internal signals. Here, we devise five verbalized methods of extracting an LLM's per-token confidence without those shortcomings and compare their reliability with that of the model's internal signals of certainty. We evaluate reliability using two forms of alignment: fine-grained error detection and calibration. For both, internal and verbalized methods perform similarly, although results vary by model. Interestingly, we find little to no correlation between internal and verbalized methods.

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

Multi-Task Tennis Stroke Biomechanics Analysis Using MediaPipe Pose

We built a multi-task pipeline for tennis stroke biomechanics from plain RGB video. On top of pose-based stroke recognition, it adds two new tasks, predicting shot direction and grading posture quality, plus a rule-based feedback layer that suggests coaching tips. Strokes are found automatically using a weighted joint velocity score, s(t) = 0.5 v_wrist + 0.3 m_elbow + 0.2 m_shoulder, removing the need for manual annotation. Pose comes from MediaPipe Pose Landmarker (33 landmarks, metric world coordinates), with each stroke turned into a 30-frame by 39-feature sequence for TennisTransformerGPU, a compact 564,103-parameter transformer (4 layers, 4 heads, d=128) with three parallel output heads. Trained on 1,281 labeled strokes from 7 pros and 1 amateur across 11 videos, it hits 83.7% stroke-type accuracy, 61.9% on direction, and 62.6% on posture under a random 80/20 split. The interesting test is cross-player: train on pros, evaluate on the amateur. Stroke type barely budges, 82.9%, a 0.8% drop. Direction prediction does not transfer; it just falls back to the majority class. An ablation shows why world coordinates matter so much here: switching to image-space landmarks tanks cross-player stroke-type accuracy from 83% to 47% and direction from 68% to 21%. Everything runs on Kaggle's free T4 GPU tier and is fully reproducible.

12.
arXiv (CS.LG) 2026-06-19

UNIEGO: Proxies as Mediators for Unified Egocentric Video Representation Learning

arXiv:2606.20559v1 Announce Type: cross Abstract: Egocentric video understanding is inherently limited by the narrow perspective of wearable cameras: a single viewpoint, a single modality, a single model cannot capture the full richness of human action. We argue that a truly expressive egocentric representation must subsume complementary knowledge across viewpoints, modalities, and foundation model representations, yet remain deployable from egocentric video alone. To this end, we introduce a hierarchical multi-teacher distillation framework that produces UNIEGO, a unified egocentric encoder trained with nine teachers spanning ego-exo viewpoints, RGB, depth, and skeleton modalities, and four foundation models. Rather than distilling directly from heterogeneous teachers whose incompatible architectures and feature geometries induce conflicting gradients, our framework interposes a layer of representation-specific Proxy models that translate diverse teacher knowledge into a homogeneous egocentric space. A second distillation stage, Selective Proxy Distillation (SPD), then adaptively selects, for each training sample, the subset of proxies that are both correct and confident, distilling exclusively from reliable supervision and suppressing erroneous signals. SPD is further stabilized by initializing UNIEGO as a learned convex combination of proxy parameters, placing the unified model in a well-conditioned region of the loss landscape before distillation begins. UNIEGO achieves state-of-the-art performance across three egocentric video understanding tasks - action recognition, video retrieval, and action segmentation on three challenging ego-exo benchmarks, outperforming naive multi-teacher distillation baselines and demonstrating that structured, proxy-mediated knowledge transfer yields richer and more discriminative egocentric representations.

13.
arXiv (CS.AI) 2026-06-12

scLLM-DSC: LLM-Knowledge Enhanced Cross-Modal Deep Structural Clustering for Single-Cell RNA Sequencing

arXiv:2606.13007v1 Announce Type: cross Abstract: Clustering is fundamental to scRNA-seq analysis, serving as a cornerstone for identifying cell populations and resolving tissue heterogeneity. However, existing methods focus on mining numerical statistical patterns, suffering from semantic agnosticism by neglecting the intrinsic biological functions encoded by genes. While Large Language Models (LLMs) offer promising semantic capabilities, their direct adaptation to cell clustering is hindered by the structural mismatch between generative pre-training objectives and discriminative downstream tasks. To bridge this gap, we propose scLLM-DSC, a novel LLM-Knowledge Enhanced Cross-Modal Deep Structural Clustering framework. Diverging from data-driven paradigms, scLLM-DSC establishes a semantically-grounded representation by synergizing two views: a Knowledge-Driven Semantic View derived from NCBI gene priors and contextualized Cell2Sentence embeddings, and a Structure-Aware Topological View extracted via a graph-guided encoder. Crucially, we introduce a cross-modal contrastive alignment mechanism to enforce consistency between biological semantics and transcriptomic features within a unified latent space. Extensive benchmarks demonstrate that scLLM-DSC significantly outperforms eleven state-of-the-art baselines in clustering accuracy.

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

Environment-Grounded Automated Prompt Optimization for LLM Game Agents

LLM agents in interactive environments are highly sensitive to their prompts, yet prompt engineering remains a manual, task-specific process. We introduce an automated prompt optimization framework for LLM agents that decomposes the observation-to-action pipeline into a goal-conditioned descriptor agent and an action selection agent, and iteratively refines each module's prompt through an LLM-driven evolutionary loop guided by environment returns. We propose a behavior analyzer to attribute episode outcomes to specific prompt components, and a mutator to propose targeted revisions to the prompt, before validating them through environment rollouts. We evaluate on all five BabyAI tasks in the BALROG benchmark, comparing our pipeline against BALROG's RobustCoTAgent under both plain and guided prompt initializations. Optimization improves performance consistently across tasks and conditions, without requiring updates to the model weights. On PutNext, a multi-step coordination task where the RobustCoTAgent achieves 0% success, our framework reaches up to 72.5% success rate using the same underlying LLM with optimized prompts. These results suggest that a multi-agent framework, combined with automatic prompt optimization, enhances LLMs without the need for fine-tuning or extensive human supervision.

15.
arXiv (CS.LG) 2026-06-18

Shrinkage priors for Bayesian Substitute Confounders

arXiv:2606.18535v1 Announce Type: cross Abstract: Multi-cause observational studies contain information about unmeasured confounding through the dependence structure among causes. However, literal imputation of the unobserved confounder is often more complex than learning a lower-dimensional substitute score that preserves the shared assignment variation needed for stable causal adjustment. The deconfounder (Wang and Blei, 2019) and related substitute confounder methods exploit this idea, but flexible assignment models can fit the joint distribution of the causes while producing scores that over-encode the treatment vector, collapse overlap, or capture single-cause variation. We develop a Bayesian factor assignment framework for learning sparse substitute confounders that retain coarse multi-cause dependence with shrinkage priors. The theory is stated at the level of posterior concentration, factor score contraction, and overlap-preserving assignment geometry and therefore does not rely on a particular shrinkage prior. Under these conditions, the proposed regression-adjusted estimators are consistent for mean potential outcomes when the corresponding latent variable identification assumptions hold. Shrinkage priors provide a natural tool for latent structural learning: they favour low-dimensional factors supported by multiple causes, discourage effectively single-cause factors, and induce an ordering of the latent factors through progressive shrinkage. Synthetic experiments illustrate the roles of signal strength, outcome validity, and geometry-aware regularization. In an Alzheimer's Disease Neuroimaging Initiative (ADNI) baseline analysis, sparse substitute scores recover much of the adjustment obtained by directly conditioning on invasive cerebrospinal-fluid biomarkers, while collapse diagnostics identify when fitted factors reduce to individual observed measurements.

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

Tensor-based second-order causal discovery

arXiv:2606.18074v1 Announce Type: cross Abstract: Causal discovery seeks to uncover the causal dependencies among variables. For this purpose, we propose an algorithm called Tensor-based Second-order Causal Discovery (TSCD). Its input is a tensor obtained from the covariance matrices of observational and interventional data. Assuming the causal dependencies follow a linear structural equation model on a directed acyclic graph (DAG), TSCD outputs the DAG and the functions on its edges, requiring only that the noise variables are uncorrelated. We also implement a version of the approach for nonlinear models. Our focus on second-order statistics (via the covariance matrices) is motivated by their statistical and computational efficiency relative to higher-order moments, their identifiability relative to first-order statistics, and that they work regardless of whether the variables are Gaussian. We show that TSCD has identifiable causal order and parameters from a number of interventions that is logarithmic in the number of variables. Experiments show that TSCD is robust to noise, competitive with existing methods, and scales to hundreds of variables.

17.
bioRxiv (Bioinfo) 2026-06-17

DesignMaster: A Multi-Conditional Diffusion Framework for Rational PROTAC Design

Motivation: Proteolysis-targeting chimeras (PROTACs) enable targeted protein degradation through ternary complex formation with E3 ubiquitin ligase. However, the rational design of PROTACs remains highly challenging due to limited structure-activity relationship data and the vast conformational diversity of linkers. Existing computational approaches can be broadly divided into structure-based ternary modelling methods and fragment-based linker generation models. Although these approaches have advanced PROTAC design, they typically neglect key physicochemical constraints and linker-length control during the generation process, causing the generated PROTACs to lack balanced structural properties required for effective ternary complex formation with drug-like characteristics. Results: To address these limitations, we propose DesignMaster, a diffusion-based generative framework that explicitly incorporates linker length and physicochemical properties as controllable conditioning signals. DesignMaster employs an E(3)-equivariant graph Transformer with a gated multi-condition fusion module to inject linker length and physicochemical constraints throughout the diffusion process, enabling fine-grained and constraint-aware molecular generation. Experiments on PROTAC-DB 2.0 and 3.0 demonstrate that DesignMaster outperforms state-of-the-art baselines, with a 3.2% improvement in validity and a 34.4% improvement in recovery. The Case study shows DesignMaster achieves a 51.78% reduction in RMSD when predicting the linker of PROTAC BCPyr targeting 6W7O, highlighting its potential for practical structure-guided PROTAC design. Availability: The source code and datasets are available at https://github.com/ABILiLab/DesignMaster.

18.
arXiv (CS.CL) 2026-06-16

daVinci-kernel: Co-Evolving Skill Selection, Summarization, and Utilization via RL for GPU Kernel Optimization

GPU kernel optimization represents a paradigm where functional correctness is assumed and execution efficiency is the objective. We present daVinci-kernel, a reinforcement learning framework that couples skill discovery with skill exploitation through a dynamically evolving skill library. daVinci-kernel jointly trains three agents sharing one LLM backbone: a Skill Selection Agent that retrieves relevant techniques via BM25 and LLM reranking, a Policy Agent that generates multi-turn CUDA/Triton kernels conditioned on selected skills, and a Skill Summary Agent that distills successful rollouts into reusable skills. Candidate skills are added only after execution-based verification confirms reproducible speedups. All three agents share a single LLM backbone, are initialized via a structured SFT cold start on diversity-filtered data, and are then jointly optimized end-to-end with multi-turn REINFORCE and per-agent advantage estimation. On KernelBench, daVinci-kernel-14B achieves 37.2%, 70.6%, and 32.2% on Level 1, Level 2, and Level 3 under the Fast$_1$ threshold, outperforming the strongest prior RL-trained model, Dr.Kernel-14B.

19.
arXiv (quant-ph) 2026-06-15

An integrated ultrahigh vacuum cluster tool for diamond surface science and single nitrogen-vacancy center measurements

arXiv:2606.13961v1 Announce Type: new Abstract: We present a custom-designed ultrahigh vacuum (UHV) cluster tool developed for studying shallow nitrogen-vacancy (NV) centers in diamond, enabling in situ diamond surface preparation, characterization, and single NV center dynamics measurements within a single connected platform. The system combines a surface science chamber for controlled surface modification and analysis with a cryogenic confocal microscope chamber dedicated to NV spin and optical measurements. This integrated approach enables a direct correlation between diamond surface chemistry and the resulting NV spin and charge properties. The instrument provides a versatile platform for systematic studies of surface-induced decoherence mechanisms and charge dynamics for shallow NV centers, and establishes a pathway toward reproducible surface engineering for quantum sensing applications.

20.
arXiv (math.PR) 2026-06-16

The Winner Takes It All

arXiv:2606.16885v1 Announce Type: cross Abstract: The winner-takes-all (WTA) process takes place on an arbitrary graph. There is an agent on each vertex of the graph, and active agents at neighboring vertices play games. In each game, a randomly chosen agent wins, while the loser is eliminated from subsequent games. The games are played at random times; each game finishes instantaneously, and the games cease when each active agent has only losers among its neighbors. On the one-dimensional lattice, the fraction of winners in the final state is $e^{-1}$, and we also determine the fractions $w_j$ of winners who won $j=0, 1, 2$ games. For the WTA process on a segment, we determine statistics of the total number of winners (the average, the variance, and all higher cumulants), the probabilities of reaching the final state with the minimum or maximum number of winners, and establish the behavior near the boundaries. For infinite regular trees with vertices of degree $d$, i.e., Bethe lattices with coordination number $d$, the fraction of winners is $(2/d)^{d/(d-2)}$.

21.
bioRxiv (Bioinfo) 2026-06-16

AutoZyme: An Autonomous Agentic Framework to Optimize Bioinformatics Software

Performance bottlenecks in widely used genomics and bioinformatics software present a substantial and growing burden as biological datasets continue to increase in size and number. Relieving these bottlenecks relies largely on expert manual optimization and therefore remains difficult to scale. Here we present AutoZyme, an agentic framework for scientific software optimization. Given a target function, AutoZyme builds benchmarks, identifies bottlenecks, and iteratively tests code changes, retaining only those that improve runtime while preserving output. We evaluated AutoZyme on 45 functions, improving runtime without substantial memory increases in over 95% of cases considered. Across 38 functions from Seurat, Scanpy and related packages in genomics and bioinformatics, AutoZyme reduced runtime by a median of 8.52-fold, with the largest reductions exceeding 676-fold. The optimized functions are distributed through AutoZyme-Library as drop-in replacements for existing analysis pipelines. We also release AutoZyme as a reusable framework for optimizing additional user-specified packages and functions.

22.
arXiv (CS.CV) 2026-06-15

Hybrid Classical-Quantum (HCQ) Alzheimer's Classification via Supervised $\beta$-VAE and Quantum Kernels

This paper presents a two-stage Hybrid Classical-Quantum (HCQ) pipeline for binary Alzheimer's disease (AD) classification from 3D T1-weighted structural MRI volumes, where the classical and quantum components are designed to complement each other rather than operate independently. A supervised 3D $\beta$-variational autoencoder (VAE) is trained end-to-end under voxel-wise reconstruction, KL-divergence, and focal classification losses that compress each 3D MRI volume (resized from 152 x 184 x 152 to 96 x 96 x 96) into a 64-dimensional latent code. Partial Least Squares (PLS) regression selects the six components in the latent code that best separate Alzheimer's Disease (AD) from cognitively normal (CN) subjects and rescales them into rotation angles, which are encoded onto a six-qubit register using the ZZ quantum feature map to give us the respective quantum states. The input to a precomputed-kernel Support Vector Machine (SVM) is an N x N Gram matrix (N = 308), created by calculating the overlap between every pair of quantum states. The novelty of this work lies in the fact that the quantum kernel operates directly on disease-aware features that are learned end-to-end by a supervised autoencoder, rather than on pre-extracted inputs. On 308 ADNI-1 subjects, consisting of 137 AD and 171 CN subjects, the baseline achieved 67.2% accuracy and 0.759 AUC, while the stability-enhanced variant reached 72.1% accuracy and 0.799 AUC with cross-fold variance halved. 3D Grad-CAM further helped validate our model's focus on brain regions linked to Alzheimer's. The HCQ pipeline could serve as a general-purpose framework for diagnostic classification across biomedical imaging domains that present similar challenges for classical approaches.

23.
arXiv (CS.CV) 2026-06-16

HiRo: A Compact Four-Directional Hierarchical Reservoir Token-Mixer for Efficient Image Classification

Recent image classification models must balance local feature modeling, cross-window interaction, and parameter efficiency. Many high-performing architectures rely on fully trainable token-mixers, which improve representation learning but increase parameter count, optimization complexity and computational cost. We propose a parameter-efficient image classification model called HiRo that integrates shifted-window partitioning with multi-directional hierarchical reservoir computing. Images are divided into non-overlapping patches (treated as tokens), linearly projected, normalized, and enriched with 2D sinusoidal positional encodings, then processed within local windows. Inside each window, tokens are scanned in four directions and passed through a two-stage slice-and-mix reservoir module. In the first stage, directional sequences are split into contiguous slices, each processed by its own fixed reservoir with a trainable closed-loop readout. The resulting slice outputs are summarized using the start, end, and mean representations, and then mixed by a second-stage fixed reservoir for each direction. The mixed slice representations are expanded back to the token level and fused with the first-stage outputs, after which the four directional outputs are realigned and averaged. Consecutive blocks alternate between regular and shifted windows to enable cross-window interaction, followed by layer normalization, a residual feed-forward network, and global pooling for classification. This design combines regular and shifted window partitioning with hierarchical multi-directional reservoirs to make an efficient local-to-cross-window token-mixing framework for image classification. Despite using under 1M trainable parameters and significantly lower memory and time than transformer-style baselines, HiRo also achieves 99.46%, 85.57%, and 59.10% accuracy on MNIST, CIFAR-10, and CIFAR-100, respectively.

24.
arXiv (CS.CV) 2026-06-18

Transformer Geometry Observatory TGO-I: Spectral Geometry Observatory

Despite the widespread adoption of Vision Transformers (ViTs) and their success across numerous computer vision applications, the fundamental understanding of their dimensional and representational geometry remains relatively underexplored. To address this gap, we introduce Transformer Geometry Observatory (TGO), a systematic framework of experiments and analysis pipelines designed to investigate the representational geometry and dynamics of Vision Transformers. TGO-I, the first installment of the framework, focuses on the spectral geometry of ViT representations. Using a ViT-Small/16 model trained on ImageNet-100, we analyze Effective Rank, Stable Rank, Participation Ratio, Spectral Entropy, Spectral Flatness, Spectral Anisotropy, covariance structure, eigenspectra, and singular value spectra throughout training. Our results reveal a consistent increase in dimensional utilization, accompanied by decreasing anisotropy, increasing spectral entropy, increasing participation ratio, and progressively flatter eigenspectra. Contrary to the common intuition that training should concentrate information into a small number of dominant directions, we observe a progressive redistribution of variance across representational dimensions. This phenomenon is particularly pronounced in the final CLS token representation, which exhibits the highest effective dimensionality and lowest anisotropy within the network.

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

Adaptive Memory Crystallization for Autonomous AI Agent Learning in Dynamic Environments

arXiv:2604.13085v2 Announce Type: replace-cross Abstract: Autonomous AI agents operating in dynamic environments face a persistent challenge: acquiring new capabilities without erasing prior knowledge. We present Adaptive Memory Crystallization (AMC), a memory architecture for progressive experience consolidation in continual reinforcement learning. AMC is conceptually inspired by the qualitative structure of synaptic tagging and capture (STC) theory, the idea that memories transition through discrete stability phases, but makes no claim to model the underlying molecular or synaptic mechanisms. AMC models memory as a continuous crystallization process in which experiences migrate from plastic to stable states according to a multi-objective utility signal. The framework introduces a three-phase memory hierarchy (Liquid–Glass–Crystal) governed by an Itô stochastic differential equation (SDE) whose population-level behavior is captured by an explicit Fokker–Planck equation admitting a closed-form Beta stationary distribution. We provide proofs of: (i) well-posedness and global convergence of the crystallization SDE to a unique Beta stationary distribution; (ii) exponential convergence of individual crystallization states to their fixed points, with explicit rates and variance bounds; and (iii) end-to-end Q-learning error bounds and matching memory-capacity lower bounds that link SDE parameters directly to agent performance. Empirical evaluation on Meta-World MT50, Atari 20-game sequential learning, and MuJoCo continual locomotion consistently shows improvements in forward transfer (+34–43\% over the strongest baseline), reductions in catastrophic forgetting (67–80\%), and a 62\% decrease in memory footprint.