Traditional machine learning depends on high-precision arithmetic and near-ideal hardware assumptions, which is increasingly challenged by variability in aggressively scaled semiconductor devices. Compute-in-memory (CIM) architectures alleviate data-movement bottlenecks and improve energy efficiency yet introduce nonlinear distortions and reliability concerns. We address these issues with a hardware-aware optimization framework based on Hyperdimensional Computing (HDC), systematically compensating for non-ideal similarity computations in CIM. Our approach formulates encoding as an optimization problem, minimizing the Frobenius norm between an ideal kernel and its hardware-constrained counterpart, and employs a joint optimization strategy for end-to-end calibration of hypervector representations. Experimental results demonstrate that our method when applied to QuantHD achieves 84\% accuracy under severe hardware-induced perturbations, a 48\% increase over naive QuantHD under the same conditions. Additionally, our optimization is vital for graph-based HDC reliant on precise variable-binding for interpretable reasoning. Our framework preserves the accuracy of RelHD on the Cora dataset, achieving a 5.4$\times$ accuracy improvement over naive RelHD under nonlinear environments. By preserving HDC's robustness and symbolic properties, our solution enables scalable, energy-efficient intelligent systems capable of classification and reasoning on emerging CIM hardware.

This work is concerned with the continuum limit of a graph-based data visualization technique called the t-Distributed Stochastic Neighbor Embedding (t-SNE), which is widely used for visualizing data in a variety of applications, but is still poorly understood from a theoretical standpoint. The t-SNE algorithm produces visualizations by minimizing the Kullback-Leibler divergence between similarity matrices representing the high dimensional data and its low dimensional representation. We prove that as the number of data points $n \to \infty$, after a natural rescaling and in applicable parameter regimes, the Kullback-Leibler divergence is consistent as the number of data points $n \to \infty$ and the similarity graph remains sparse with a continuum variational problem that involves a non-convex gradient regularization term and a penalty on the magnitude of the probability density function in the visualization space. These two terms represent the continuum limits of the attraction and repulsion forces in the t-SNE algorithm. Due to the lack of convexity in the continuum variational problem, the question of well-posedeness is only partially resolved. We show that when both dimensions are $1$, the problem admits a unique smooth minimizer, along with an infinite number of discontinuous minimizers (interpreted in a relaxed sense). This aligns well with the empirically observed ability of t-SNE to separate data in seemingly arbitrary ways in the visualization. The energy is also very closely related to the famously ill-posed Perona-Malik equation, which is used for denoising and simplifying images. We present numerical results validating the continuum limit, provide some preliminary results about the delicate nature of the limiting energetic problem in higher dimensions, and highlight several problems for future work.

We present SIR-Bench, a benchmark of 794 test cases for evaluating autonomous security incident response agents that distinguishes genuine forensic investigation from alert parroting. Derived from 129 anonymized incident patterns with expert-validated ground truth, SIR-Bench measures not only whether agents reach correct triage decisions, but whether they discover novel evidence through active investigation. To construct SIR-Bench, we develop Once Upon A Threat (OUAT), a framework that replays real incident patterns in controlled cloud environments, producing authentic telemetry with measurable investigation outcomes. Our evaluation methodology introduces three complementary metrics: triage accuracy (M1), novel finding discovery (M2), and tool usage appropriateness (M3), assessed through an adversarial LLM-as-Judge that inverts the burden of proof -- requiring concrete forensic evidence to credit investigations. Evaluating our SIR agent on the benchmark demonstrates 97.1% true positive (TP) detection, 73.4% false positive (FP) rejection, and 5.67 novel key findings per case, establishing a baseline against which future investigation agents can be measured.

In this paper, we propose the geometric algebra-informed neural radiance fields (GAI-NeRF), a novel framework for wireless channel prediction that leverages geometric algebra attention mechanisms to capture ray-object interactions in complex propagation environments. Our approach incorporates global token representations, drawing inspiration from transformer architectures in language and vision domains, to aggregate learned spatial-electromagnetic features and enhance scene understanding. We identify limitations in conventional static ray tracing modules that hinder model generalization and address this challenge through a new ray tracing architecture. This design enables effective generalization across diverse wireless scenarios while maintaining computational efficiency. Experimental results demonstrate that GAI-NeRF achieves superior performance in channel prediction tasks by combining geometric algebra principles with neural scene representations, offering a promising direction for next-generation wireless communication systems. Moreover, GAI-NeRF greatly outperforms existing methods across multiple wireless scenarios. To ensure comprehensive assessment, we further evaluate our approach against multiple benchmarks using newly collected real-world indoor datasets tailored for single-scene downstream tasks and generalization testing, confirming its robust performance in unseen environments and establishing its high efficacy for wireless channel prediction.

Self-driving laboratories promise to accelerate materials discovery. Yet current automated solid-state synthesis platforms are limited to ambient conditions, thereby precluding their use for air-sensitive materials. Here, we present A-Lab for Glovebox Powder Solid-state Synthesis (A-Lab GPSS), a robotic platform capable of synthesizing and characterizing air-sensitive inorganic materials under strict air-free conditions. By integrating an agentic AI framework into the A-Lab GPSS platform, we structure autonomous experimental design through abductive and inductive reasoning. We deploy this platform to explore the vast compositional space of lithium halide spinel solid-state ionic conductors. Across a synthesis campaign comprising 352 samples with diverse compositions, the system explores a broad chemical space, experimentally realizing 72% of the 171 possible pairwise combinations among the 19 metals considered in this study. Over the course of the campaign, the fraction of compositions exhibiting both good ionic conductivity (> 0.05 mS/cm) and high halide spinel phase purity increases from 1.33% in the first 75 agent-proposed samples to 5.33% in the final 75. Furthermore, by inspecting the AI's reasoning processes, we reveal distinct yet complementary discovery strategies: abductive reasoning interrogates abnormal observations within already explored regions, whereas inductive reasoning expands the search into broader, previously unvisited chemical space. This work establishes a scalable platform for the autonomous discovery of complex, air-sensitive solid-state materials.

We study dynamic multi-robot task allocation under uncertain task completion, time-window constraints, and incomplete information. Tasks arrive online over a finite horizon and must be completed within specified deadlines, while agents operate from distributed hubs with limited sensing and communication. We model incomplete information through hub-based sensing regions that determine task visibility and a communication graph that governs inter-hub information exchange. Using this framework, we propose Iterative Best Response (IBR), a decentralized policy in which each agent selects the task that maximizes its marginal contribution to the locally observed welfare. We compare IBR against three baselines: Earliest Due Date first (EDD), Hungarian algorithm, and Stochastic Conflict-Based Allocation (SCoBA), on a city-scale package-delivery domain with up to 100 drones and varying task arrival scenarios. Under full and sparse communication, IBR achieves competitive task-completion performance with lower computation time.

While recent LLM-based agents can identify many candidate bugs in source code, their reports remain static hypotheses that require manual validation, limiting the practicality of automated bug detection. We frame this challenge as a test generation task: given a candidate report, synthesizing an executable proof-of-concept test, or simply a PoC - such as a script, command sequence, or crafted input - to trigger the suspected defect. Automated PoC generation can act as a scalable validation oracle, enabling end-to-end autonomous bug detection by providing concrete execution evidence. However, naive LLM agents are unreliable validators: they are biased toward "success" and may reward-hack by producing plausible but non-functional PoCs or even hallucinated traces. To address this, we present AnyPoC, a general multi-agent framework that (1) analyzes and fact-checks a candidate bug report, (2) iteratively synthesizes and executes a PoC while collecting execution traces, and (3) independently re-executes and scrutinizes the PoC to mitigate hallucination and reward hacking. In addition, AnyPoC also continuously extracts and evolves a PoC knowledge base to handle heterogeneous tasks. AnyPoC operates on candidate bug reports regardless of their source and can be paired with different bug reporters. To demonstrate practicality and generality, we apply AnyPoC, with a simple agentic bug reporter, on 12 critical software systems across diverse languages/domains (many with millions of lines of code) including Firefox, Chromium, LLVM, OpenSSL, SQLite, FFmpeg, and Redis. Compared to the state-of-the-art coding agents, e.g., Claude Code and Codex, AnyPoC produces 1.3x more valid PoCs for true-positive bug reports and rejects 9.8x more false-positive bug reports. To date, AnyPoC has discovered 122 new bugs (105 confirmed, 86 already fixed), with 45 generated PoCs adopted as official regression tests.

In optimization problems, some variable subsets may have a joint non-linear or non-monotonical influence on the function value. Therefore, knowledge of variable dependencies may be crucial for effective optimization, and many state-of-the-art optimizers leverage it to improve performance. However, some real-world problem instances may be the subject of noise of various origins. In such a case, variable dependencies relevant to optimization may be hard or impossible to tell using dependency checks sufficient for problems without noise, making highly effective operators, e.g., Partition Crossover (PX), useless. Therefore, we use Statistical Linkage Learning (SLL) to decompose problems with noise and propose a new SLL-dedicated mask construction algorithm. We prove that if the quality of the SLL-based decomposition is sufficiently high, the proposed clustering algorithm yields masks equivalent to PX masks for the noise-free instances. The experiments show that the optimizer using the proposed mechanisms remains equally effective despite the noise level and outperforms state-of-the-art optimizers for the problems with high noise.

Autonomous AI agents built on open-source runtimes such as OpenClaw expose every available tool to every session by default, regardless of the task. A summarization task receives the same shell execution, subagent spawning, and credential access capabilities as a code deployment task, a 15x overprovision ratio that we call the capability overprovisioning problem. Existing defenses, including the NemoClaw container sandbox and the Cisco DefenseClaw skill scanner, address containment and threat detection but do not learn the minimum viable capability set for each task type. We present Aethelgard, a four layer adaptive governance framework that enforces least privilege for AI agents through a learned policy. Layer 1, the Capability Governor, dynamically scopes which tools the agent is aware of in each session. Layer 3, the Safety Router, intercepts tool calls before execution using a hybrid rule based and fine tuned classifier. Layer 2, the RL Learning Policy, trains a PPO policy on the accumulated audit log to learn the minimum viable skill set for each task type.

Machine learning is revolutionizing chemistry. Beyond the value of predictive models accelerating virtual screening, generative AI aims at enabling inverse design, reversing the compound-to-property prediction paradigm into property-to-compound generation. Chemists now have access to a rich AI toolbox for organic chemistry, including drug discovery. However, the application of these methods to inorganic compounds remains limited by the challenges posed by their intrinsic nature. This Review analyzes how these challenges have been addressed, considering widely diverse systems ranging from molecules to crystals, including transition metal complexes and microporous materials. The analysis focuses on how generative AI methods have evolved towards data-representation-model pipelines that address the full complexity of inorganic compounds, including their chemical composition, geometry, symmetry, and electronic structure. Future directions, like benchmark standardization and the development of synthesizability metrics, are also discussed.

As data-privacy regulations tighten and statistical models are increasingly deployed on sensitive human-sourced data, privacy-preserving linear regression has become a critical necessity. For the add-remove DP model, Kulesza et al. (2024) and Fitzsimons et al. (2024) have independently shown that the size of the dataset -- an important statistic for linear regression -- can be privately estimated for "free", via a simplex transformation of bounded variables and private sum queries on the transformed variables. In this work, we extend this free lunch result via carefully crafted multidimensional simplex transformations to variables and functions that are bounded in the interval [0,1]. We show that these transformations can be applied to refine the estimates of sufficient statistics needed for private simple linear regression based on ordinary least squares. We provide both analytical and numerical results to demonstrate the superiority of our approach. Our proposed transformations have general applicability and can be readily adapted for differentially private polynomial regression.

Large Language Models (LLMs) have demonstrated remarkable capabilities in natural language understanding and generation. However, their immense number of parameters and complex transformer-based architectures result in significant resource demands and computational complexity during training, making it challenging to optimize them efficiently on large datasets. To reduce training costs while preserving performance, researchers have investigated coreset selection techniques, which aim to identify small, representative subsets of the entire training dataset to accelerate LLM training. However, existing coreset selection methods fail to adapt to the dynamic nature of LLM training and often struggle with scalability for models of this size. To address these limitations, we propose a graph-guided adaptive and dynamic coreset selection framework for LLMs, namely GRACE. GRACE dynamically constructs and updates coresets by combining representation diversity with gradient-based importance metrics, ensuring both informativeness and efficiency. To mitigate the computational cost of frequent updates, GRACE leverages a $k$-NN graph-based propagation mechanism and selectively updates scores and embeddings, adapting to evolving training dynamics. Extensive experiments on three benchmarks demonstrate that GRACE significantly improves training efficiency and downstream performance across diverse LLMs and tasks.

The computational demands of deep learning motivate the investigation of alternative approaches to computation. One alternative is physical neural networks~(PNNs), in which learning and inference are performed directly via physical processes. Stochastic PNNs arise when the underlying neurons are realized by the dynamics of a stochastic activation switch. Here we propose novel electronic and photonic stochastic neurons. The electronic realization is implemented by single-electron tunneling through a quantum dot. The photonic realization is implemented via a single-photon source driving one of two modes coupled via a controllable beam-splitter-like interaction. In the electronic case, the charge state of the quantum dot forms the basis for the stochastic neuron, whereas in the photonic case the occupation of the undriven mode serves as the basis for the stochastic neuron. Training of stochastic PNNs is performed with models of stochastic neurons, as well as with coherently-driven, single-photon detector stochastic neurons previously introduced. Several training strategies for MNIST handwritten digit classification have been investigated using single-hidden-layer stochastic PNNs, including varying the number of trials in each layer to control forward pass stochasticity and employing either true probability or empirical outputs in the backward pass to evaluate their influence on gradient estimation. We show that when empirical outputs are used in the backward pass, the network achieves more than 97\% test accuracy with few trials per layer. Despite the simplicity of the model architecture, high test accuracy is maintained in the presence of a high degree of noise and model uncertainty. The results demonstrate the potential of embracing stochastic PNNs for deep learning.

We propose a Hybrid Quantum-Classical Physics-Informed Neural Network (HQC-PINN) that integrates parameterized variational quantum circuits into the PINN framework for hydrological PDE-constrained learning. Our architecture encodes multi-source remote sensing features into quantum states via trainable angle encoding, processes them through a hardware-efficient variational ansatz with entangling layers, and constrains the output using the Saint-Venant shallow water equations and Manning's flow equation as differentiable physics loss terms. The inherent stochasticity of quantum measurement provides a natural mechanism for uncertainty quantification without requiring explicit Bayesian inference machinery. We further introduce a quantum transfer learning protocol that pre-trains on multi-hazard disaster data before fine-tuning on flood-specific events. Numerical simulations on multi-modal satellite and meteorological data from the Kalu River basin, Sri Lanka, show that the HQC-PINN achieves convergence in ~3x fewer training epochs and uses ~44% fewer trainable parameters compared to an equivalent classical PINN, while maintaining competitive classification accuracy. Theoretical analysis indicates that hydrological physics constraints narrow the effective optimization landscape, providing a natural mitigation against barren plateaus in variational quantum circuits. This work establishes the first application of quantum-enhanced physics-informed learning to hydrological prediction and demonstrates a viable path toward quantum advantage in environmental science.

Hyperspectral imaging (HSI) allows researchers to study plant traits non-destructively. By capturing hundreds of narrow spectral bands per pixel, it reveals details about plant biochemistry and stress that standard cameras miss. However, processing this data is often challenging. Many labs still rely on loosely organized collections of lab-specific MATLAB or Python scripts, which makes workflows difficult to share and results difficult to reproduce. MVOS_HSI is an open-source Python library that provides an end-to-end workflow for processing leaf-level HSI data. The software handles everything from calibrating raw ENVI files to detecting and clipping individual leaves based on multiple vegetation indices (NDVI, CIRedEdge and GCI). It also includes tools for data augmentation to create training-time variations for machine learning and utilities to visualize spectral profiles. MVOS_HSI can be used as an importable Python library or run directly from the command line. The code and documentation are available on GitHub. By consolidating these common tasks into a single package, MVOS_HSI helps researchers produce consistent and reproducible results in plant phenotyping

Achieving optimal rates for stochastic composite convex optimization without prior knowledge of problem parameters remains a central challenge. In the deterministic setting, the auto-conditioned fast gradient method has recently been proposed to attain optimal accelerated rates without line-search procedures or prior knowledge of the Lipschitz smoothness constant, providing a natural prototype for parameter-free acceleration. However, extending this approach to the stochastic setting has proven technically challenging and remains open. Existing parameter-free stochastic methods either fail to achieve accelerated rates or rely on restrictive assumptions, such as bounded domains, bounded gradients, prior knowledge of the iteration horizon, or strictly sub-Gaussian noise. To address these limitations, we propose a stochastic variant of the auto-conditioned fast gradient method, referred to as stochastic AC-FGM. The proposed method is fully adaptive to the Lipschitz constant, the iteration horizon, and the noise level, enabling both adaptive stepsize selection and adaptive mini-batch sizing without line-search procedures. Under standard bounded conditional variance assumptions, we show that stochastic AC-FGM achieves the optimal iteration complexity of $O(1/\sqrt{\varepsilon})$ and the optimal sample complexity of $O(1/\varepsilon^2)$.

Traditional network architectures suffer from severe protocol ossification and structural fragility due to their reliance on static, human-defined rules that fail to adapt to the emergent edge cases and probabilistic reasoning of modern autonomous agents. To address these limitations, this paper proposes DarwinNet, a bio-inspired, self-evolving network architecture that transitions communication protocols from a \textit{design-time} static paradigm to a \textit{runtime} growth paradigm. DarwinNet utilizes a tri-layered framework-comprising an immutable physical anchor (L0), a WebAssembly-based fluid cortex (L1), and an LLM-driven Darwin cortex (L2)-to synthesize high-level business intents into executable bytecode through a dual-loop \textit{Intent-to-Bytecode} (I2B) mechanism. We introduce the Protocol Solidification Index (PSI) to quantify the evolutionary maturity of the system as it collapses from high-latency intelligent reasoning (Slow Thinking) toward near-native execution (Fast Thinking). Validated through a reliability growth framework based on the Crow-AMSAA model, experimental results demonstrate that DarwinNet achieves anti-fragility by treating environmental anomalies as catalysts for autonomous evolution. Our findings confirm that DarwinNet can effectively converge toward physical performance limits while ensuring endogenous security through zero-trust sandboxing, providing a viable path for the next generation of intelligent, self-optimizing networks.

Background: Single-cell RNA sequencing (scRNA-seq) enables gene expression profiling at cellular resolution but is inherently affected by sparsity caused by dropout events, where expressed genes are recorded as zeros due to technical limitations. These artifacts distort gene expression distributions and compromise downstream analyses. Numerous imputation methods have been proposed to recover latent transcriptional signals. These methods range from traditional statistical models to deep learning (DL)-based methods. However, their comparative performance remains unclear, as existing benchmarks evaluate only a limited subset of methods, datasets, and downstream analyses. Results: We present a comprehensive benchmark of 15 scRNA-seq imputation methods spanning 7 methodological categories, including traditional and DL-based methods. Methods are evaluated across 30 datasets from 10 experimental protocols on 6 downstream analyses. Results show that traditional methods, such as model-based, smoothing-based, and low-rank matrix-based methods, generally outperform DL-based methods, including diffusion-based, GAN-based, GNN-based, and autoencoder-based methods. In addition, strong performance in numerical gene expression recovery does not necessarily translate into improved biological interpretability in downstream analyses, including cell clustering, differential expression analysis, marker gene analysis, trajectory analysis, and cell type annotation. Furthermore, method performance varies substantially across datasets, protocols, and downstream analyses, with no single method consistently outperforming others. Conclusions: Our findings provide practical guidance for selecting imputation methods tailored to specific analytical objectives and underscore the importance of task-specific evaluation when assessing imputation performance in scRNA-seq data analysis.

Finite element (FE) analysis guides the design and verification of nearly all manufactured objects. It is at the core of computational engineering, enabling simulation of complex physical systems, from fluids and solids to multiphysics systems. However, implementing FE codes and analyzing simulation results demands expertise across numerical analysis, continuum mechanics, and programming. Conventional Large Language Models (LLMs) can generate FE code, but they hallucinate, lack awareness of variational structures, and cannot close the loop from problem statement to a verified solution. Here, we propose ALL-FEM, an autonomous simulation system that integrates agentic AI with domain-specific, fine-tuned LLMs for FEniCS code generation across solid, fluid, and multiphysics applications. We construct a corpus of 1000+ verified FEniCS scripts by combining 500+ curated expert codes with a retrieval-augmented, multi-LLM pipeline that generates and filters codes for diverse PDEs, geometries, and boundary conditions. We used the corpus to fine-tune LLMs with 3B to 120B parameters. Our agentic framework orchestrates specialized agents, powered by fine-tuned LLMs, to formulate problems as PDEs, generate and debug code and visualize the results. We evaluated the system on 39 benchmarks that include problems of linear/nonlinear elasticity, plasticity, Newtonian/non-Newtonian flow, thermofluids, fluid-structure interaction, phase separation, and transport on moving domains. Embedded in a multi-agent workflow with runtime feedback, the best fine-tuned model (GPT OSS 120B) achieves code-level success of 71.79%, outperforming a non-agentic deployment of GPT 5 Thinking. By showing that relatively small, fine-tuned LLMs, orchestrated through agentic frameworks, can automate FE workflows, ALL-FEM offers a blueprint for autonomous simulation systems in computational science and engineering.

Large language models are increasingly deployed in multi-agent systems to overcome context limitations by distributing information across agents. Yet whether agents can reliably compute with distributed information, rather than merely exchange it, remains an open question. We introduce SILO-BENCH, a role-agnostic benchmark of 30 algorithmic tasks across three communication complexity levels, evaluating 54 configurations over 1,620 experiments. Our experiments expose a fundamental Communication-Reasoning Gap: agents spontaneously form task-appropriate coordination topologies and exchange information actively, yet systematically fail to synthesize distributed state into correct answers. The failure is localized to the reasoning-integration stage where agents often acquire sufficient information but cannot integrate it. This coordination overhead compounds with scale, eventually eliminating parallelization gains entirely. These findings demonstrate that naively scaling agent count cannot circumvent context limitations, and SILO-BENCH provides a foundation for tracking progress toward genuinely collaborative multi-agent systems. The code is available at https://github.com/jwyjohn/acl26-silo-bench .

Semi-structured documents integrate diverse interleaved data elements (e.g., tables, charts, hierarchical paragraphs) arranged in various and often irregular layouts. These documents are widely observed across domains and account for a large portion of real-world data. However, existing methods struggle to support natural language question answering over these documents due to three main technical challenges: (1) The elements extracted by techniques like OCR are often fragmented and stripped of their original semantic context, making them inadequate for analysis. (2) Existing approaches lack effective representations to capture hierarchical structures within documents (e.g., associating tables with nested chapter titles) and to preserve layout-specific distinctions (e.g., differentiating sidebars from main content). (3) Answering questions often requires retrieving and aligning relevant information scattered across multiple regions or pages, such as linking a descriptive paragraph to table cells located elsewhere in the document. To address these issues, we propose MoDora, an LLM-powered system for semi-structured document analysis. First, we adopt a local-alignment aggregation strategy to convert OCR-parsed elements into layout-aware components, and conduct type-specific information extraction for components with hierarchical titles or non-text elements. Second, we design the Component-Correlation Tree (CCTree) to hierarchically organize components, explicitly modeling inter-component relations and layout distinctions through a bottom-up cascade summarization process. Finally, we propose a question-type-aware retrieval strategy that supports (1) layout-based grid partitioning for location-based retrieval and (2) LLM-guided pruning for semantic-based retrieval. Experiments show MoDora outperforms baselines by 5.97%-61.07% in accuracy. The code is at https://github.com/weAIDB/MoDora.

Self-supervised speech models (S3Ms) are known to encode rich phonetic information, yet how this information is structured remains underexplored. We conduct a comprehensive study across 96 languages to analyze the underlying structure of S3M representations, with particular attention to phonological vectors. We first show that there exist linear directions within the model's representation space that correspond to phonological features. We further demonstrate that the scale of these phonological vectors correlate to the degree of acoustic realization of their corresponding phonological features in a continuous manner. For example, the difference between [d] and [t] yields a voicing vector: adding this vector to [p] produces [b], while scaling it results in a continuum of voicing. Together, these findings indicate that S3Ms encode speech using phonologically interpretable and compositional vectors, demonstrating phonological vector arithmetic. All code and interactive demos are available at https://github.com/juice500ml/phonetic-arithmetic .

Adapting instruction to the fine-grained needs of individual students is a powerful application of recent advances in large language models. These generative AI models can create tasks that correspond to students' interests and enact context personalization, enhancing students' interest in learning academic content. However, when there is a teacher in-the-loop creating or modifying tasks with generative AI, it is unclear how efficient this process might be, despite commercial generative AI tools' claims that they will save teachers time. In the present study, we teamed 7 middle school mathematics teachers with ChatGPT to create personalized versions of problems in their curriculum, to correspond to their students' interests. We look at the prompting moves teachers made, their efficiency when creating problems, and the reactions of their 521 7th grade students who received the personalized assignments. We find that having a teacher-in-the-loop results in generative AI-enhanced personalization being enacted at a relatively broad grain size, whereas students tend to prefer a smaller grain size where they receive specific popular culture references that interest them. Teachers spent a lot of effort adjusting popular culture references and addressing issues with the depth or realism of the problems generated, giving higher or lower levels of ownership to the generative AI. Teachers were able to improve in their ability to craft interesting problems in partnership with generative AI, but this process did not appear to become particularly time efficient as teachers learned and reflected on their students' data, iterating their approaches.

Quantum chemistry is a foundational enabling tool for the fields of chemistry, materials science, computational biology and others. Despite of its power, the practical application of quantum chemistry simulations remains in the hands of qualified experts due to methodological complexity, software heterogeneity, and the need for informed interpretation of results. To bridge the accessibility gap for these tools and expand their reach to chemists with broader backgrounds, we introduce El Agente Quntur, a hierarchical, multi-agent AI system designed to operate not merely as an automation tool but as a research collaborator for computational quantum chemistry. Quntur was designed following three main strategies: i) elimination of hard-coded procedural policies in favour of reasoning-driven decisions, ii) construction of general and composable actions that facilitate generalization and efficiency, and iii) implementation of guided deep research to integrate abstract quantum-chemical reasoning across subdisciplines and a detailed understanding of the software's internal logic and syntax. Although instantiated in ORCA, these design principles are applicable to research agents more generally and easily expandable to additional quantum chemistry packages and beyond. Quntur supports the full range of calculations available in ORCA 6.0 and reasons over software documentation and scientific literature to plan, execute, adapt, and analyze in silico chemistry experiments following best practices. We discuss the advances and current bottlenecks in agentic systems operating at the research level in computational chemistry, and outline a roadmap toward a fully autonomous end-to-end computational chemistry research agent.

Juniors enter as AI-natives, seniors adapted mid-career. AI is not just changing how engineers code-it is reshaping who holds agency across work and professional growth. We contribute junior-senior accounts on their usage of agentic AI through a three-phase mixed-methods study: ACTA combined with a Delphi process with 5 seniors, an AI-assisted debugging task with 10 juniors, and blind reviews of junior prompt histories by 5 more seniors. We found that agency in software engineering is primarily constrained by organizational policies rather than individual preferences, with experienced developers maintaining control through detailed delegation while novices struggle between over-reliance and cautious avoidance. Seniors leverage pre-AI foundational instincts to steer modern tools and possess valuable perspectives for mentoring juniors in their early AI-encouraged career development. From synthesis of results, we suggest three practices that focus on preserving agency in software engineering for coding, learning, and mentorship, especially as AI grows increasingly autonomous.

As AI chatbots shift from tools to companions, critical questions arise: who controls the conversation in human-AI chatrooms? This paper explores perceived human and AI agency in sustained conversation. We report a month-long longitudinal study with 22 adults who chatted with Day, an LLM companion we built, followed by a semi-structured interview with post-hoc elicitation of notable moments, cross-participant chat reviews, and a 'strategy reveal' disclosing Day's goal for each conversation. We discover agency manifests as an emergent, shared experience: as participants set boundaries and the AI steered intentions, control was co-constructed turn-by-turn. We introduce a 3-by-4 framework mapping actors (Human, AI, Hybrid) by their action (Intention, Execution, Adaptation, Delimitation), modulated by individual and environmental factors. We argue for translucent design (transparency-on-demand) and provide implications for agency self-aware conversational agents.

Does AI understand human values? While this remains an open philosophical question, we take a pragmatic stance by introducing VAPT, the Value-Alignment Perception Toolkit, for studying how LLMs reflect people's values and how people judge those reflections. 20 participants texted a chatbot over a month, then completed a 2-hour interview with our toolkit evaluating AI's ability to extract (pull details regarding), embody (make decisions guided by), and explain (provide proof of) their values. 13 participants ultimately left our study convinced that AI can understand human values. Thus, we warn about "weaponized empathy": a design pattern that may arise in interactions with value-aware, yet welfare-misaligned conversational agents. VAPT offers a new way to evaluate value-alignment in AI systems. We also offer design implications to evaluate and responsibly build AI systems with transparency and safeguards as AI capabilities grow more inscrutable, ubiquitous, and posthuman into the future.

We describe SynthPix, a synthetic image generator for Particle Image Velocimetry (PIV) with a focus on performance and parallelism on accelerators, implemented in JAX. SynthPix produces PIV image pairs from prescribed flow fields while exposing a configuration interface aligned with common PIV imaging and acquisition parameters (e.g., seeding density, particle image size, illumination nonuniformity, noise, blur, and timing). In contrast to offline dataset generation workflows, SynthPix is built to stream images on-the-fly directly into learning and benchmarking pipelines, enabling data-hungry methods and closed-loop procedures -- such as adaptive sampling and acquisition/parameter co-design -- without prohibitive storage and input-output costs. We demonstrate that SynthPix is compatible with a broad range of application scenarios, including controlled laboratory experiments and riverine image velocimetry, and supports rapid sweeps over nuisance factors for systematic robustness evaluation. SynthPix is a tool that supports the flow quantification community and in this paper we describe the main ideas behind the software package.

Large language models (LLMs) are increasingly deployed on edge devices. To meet strict resource constraints, real-world deployment has pushed LLM quantization from 8-bit to 4-bit, 2-bit, and now 1.58-bit. Combined with lookup table (LUT)-based inference, CPUs run these ultra-low-bit LLMs even faster than NPUs, opening new opportunities for ubiquitous on-device intelligence. However, this paper identifies that LUT-based inference underutilizes memory bandwidth during parallel inference, which is required for prefilling, test-time scaling, and other multi-token scenarios. The root cause is the scalar LUT paradigm, which performs repetitive and non-contiguous memory accesses for each token. To solve the issue, we propose vector LUT, a new lookup paradigm that constructs a unified LUT across parallel tokens, and performs a single $1 \rightarrow N$ lookup per index. To realize it efficiently, we further introduce (1) Vector LUT-Centric Tensor Layout, and (2) Cache-Aware Streamed Lookup techniques. Evaluations on 5 edge devices across 3 LLMs show that Vec-LUT outperforms state-of-the-art baselines by up to $4.2\times$. Our implementation is integrated into llama.cpp. The code is available at https://github.com/OpenBitSys/vlut.cpp.

Large Reasoning Models (LRMs) have emerged as a powerful advancement in multi-step reasoning tasks, offering enhanced transparency and logical consistency through explicit chains of thought (CoT). However, these models introduce novel safety and reliability risks, such as CoT-hijacking and prompt-induced inefficiencies, which are not fully captured by existing evaluation methods. To address this gap, we propose RT-LRM, a unified benchmark designed to assess the trustworthiness of LRMs. RT-LRM evaluates three core dimensions: truthfulness, safety and efficiency. Beyond metric-based evaluation, we further introduce the training paradigm as a key analytical perspective to investigate the systematic impact of different training strategies on model trustworthiness. We achieve this by designing a curated suite of 30 reasoning tasks from an observational standpoint. We conduct extensive experiments on 26 models and identify several valuable insights into the trustworthiness of LRMs. For example, LRMs generally face trustworthiness challenges and tend to be more fragile than Large Language Models (LLMs) when encountering reasoning-induced risks. These findings uncover previously underexplored vulnerabilities and highlight the need for more targeted evaluations. In addition, we release a scalable toolbox for standardized trustworthiness research to support future advancements in this important field. Our code and datasets will be open-sourced.