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

Mind-Studio: Executable World Models with Lookahead Evaluation for Partially Observable Games

arXiv:2606.16070v1 Announce Type: new Abstract: World-model synthesis aims to turn interaction experience into an internal model of environment dynamics. Existing symbolic approaches often fit observed transitions or mixtures of local rules, but they do not produce a complete executable program that can run independently of the real environment. We present Mind-Studio, a framework that synthesizes executable pygame-style world models from state-action-next-state trajectories using large language models. Mind-Studio combines entropy-selected traces with a lightweight game skill file containing object, action, and static scene information extracted from screenshots. We evaluate synthesis quality with a K-step lookahead fidelity protocol that compares generated world-model rollouts against Real-ALE rollouts from the same state. On Montezuma's Revenge, Mind-Studio improves chosen-action next-state prediction from 0.3% for PoE-World to 48.7% while verifying 5 of 8 subgoals; across Alien, Assault, and Skiing, it achieves stronger branch-level fidelity than prior learned lookahead sources.

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

Natural-Language Temporal Grounding in Hour-Long Videos is a Search Problem: A Benchmark and Empirical Decomposition

Temporal grounding–returning the interval $[t_s, t_e]$ for a natural-language query over a video–is the language interface to long-form video, yet has been studied on short videos; the dynamics of hour-scale natural-language grounding remain underexplored. We take the position that at hour-scale, the binding constraint is search, not recognition: Video-LLMs are bottlenecked not by localizing a nearby event, but–given a natural-language query–by searching for the relevant region of a long video. To test this, we release ExtremeWhenBench, the first open hour-scale grounding benchmark (2,273 queries over 194 videos, mean 75.7 min, max 9 hr) with an open-form query distribution. Every open Video-LLM collapses while a frame-level retrieval baseline outperforms them; a failure taxonomy attributes 85% of failures to search; and a retrieve-then-ground hybrid recovers 6.7x over the monolithic Video-LLM–mirroring retrieve-then-read in open-domain QA.

03.
arXiv (CS.AI) 2026-06-18

Information-Theoretic Measures in AI: A Practical Decision Guide

arXiv:2604.23716v2 Announce Type: replace Abstract: Information-theoretic (IT) measures are ubiquitous in artificial intelligence: entropy drives decision-tree splits and uncertainty quantification, cross-entropy is the default classification loss, mutual information underpins representation learning and feature selection, and transfer entropy reveals directed influence in dynamical systems. A second, less consolidated family of measures, integrated information (Phi), effective information (EI), and autonomy, has emerged for characterizing agent complexity. Despite wide adoption, measure selection is often decoupled from estimator assumptions, failure modes, and safe inferential claims. This paper provides a practical decision framework for all seven measures, organized around three prescriptive questions for each: (i) what question does the measure answer and in which AI context; (ii) which estimator is appropriate for the data type and dimensionality; and (iii) what is the most dangerous misuse. The framework is operationalized in two complementary artifacts: a measure-selection flowchart and a master decision table. We cover both AI/ML and decision-making agent application domains per measure, with standardized Bridge Boxes linking IT quantities to cognitive constructs. Three worked examples illustrate the framework on concrete practitioner scenarios spanning representation learning, temporal influence analysis, and evolved agent complexity.

04.
arXiv (quant-ph) 2026-06-11

Quantum optimal control of the Dicke manifold in dipolar Rydberg atom arrays

arXiv:2606.02283v2 Announce Type: replace Abstract: The ability to engineer and control quantum states of many-body systems is a central challenge in quantum information science. For a register of $N$ qubits, the full Hilbert space dimension grows exponentially as $2^N$, rendering generic state preparation and control infeasible without exploiting structure or symmetry. A particularly important and physically motivated restriction is to the fully symmetric subspace, spanned by the Dicke states, which are simultaneous eigenstates of collective spin $J=N/2$. Ensembles of Rydberg atoms interacting via electric dipoles in two-dimensional tweezer arrays form a promising platform for achieving such control. However, the finite range of dipole-dipole interactions poses a challenge to generating and controlling the Dicke manifold because the Hamiltonian incurs leakage from the computational subspace. To counteract this leakage, we perform quantum optimal control algorithms on a truncated Hilbert space according to our newly developed method of ``irrep distillation'' (IRD), which captures the process by which the symmetric subspace couples to leakage error-spaces, using only linear-scaling Hilbert dimension. We implement gradient ascent pulse engineering (GrAPE) on control schemes with little or no local addressing, to generate resourceful states like Greenberger-Horne-Zeilinger, Dicke, and extremal quantum states. We benchmark each scheme of IRD-GrAPE for its quantum speed limit (QSL), as well as exactly testing pulse fidelities on small system sizes and predicting fidelities using higher-order IRD on larger systems.

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

DRIFT: Refining Instruction Data via On-Policy Data Attribution

arXiv:2606.18307v1 Announce Type: cross Abstract: Optimizing the training data distribution for Supervised Fine-Tuning (SFT) dictates the capability of Large Language Models (LLMs). While existing data curation methods excel at accelerating training under constrained budgets, they are less suited to elevating the capability upper bound. The challenge here is no longer to identify a smaller subset that preserves performance, but to refine the data distribution toward instances most capable of improving the final model. To address this problem, we explore instance-level data attribution using Influence Functions (IF). We identify that standard IF formulations struggle in this setting due to two structural limitations: a proximity gap caused by off-policy validation targets, and a severe bias towards gradient norm. We propose DRIFT (Data Refinement via On-Policy Influence Functions for Supervised Fine-Tuning). Instead of relying on external reference data, DRIFT utilizes the model's on-policy rollouts as validation targets, which empirically minimizes the parameter proximity gap and better aligns with the local neighborhood assumption of IF. It further applies signed weighting based on trajectory correctness and debiases influence scores against the gradient hacking issue, allowing a small set of validation queries to act as reliable anchors for attributing the full dataset. Experiments on 7B-parameter instruction and reasoning models show that DRIFT consistently raises the performance ceiling on both, outperforming existing data curation baselines.

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

As Easy as Rocket Science: Assessing the Ability of Large Language Models to Interpret Negation in Figurative Language

Figurative language and negation are two areas that challenge current language models, however, both are widely used throughout written and spoken language. Large language models (LLMs) are also widely used in everyday contexts where they cannot necessarily be tuned for a specific dataset. It is therefore essential to understand the ability of LLMs to correctly interpret text that includes both negation and figurative language. To investigate this, we develop a set of new annotations to an existing dataset of figurative language, and test a range of language models on the dataset. We find that the combination of negation and figurativeness can present a particular challenge, and that performance overall and across different negation types is particularly dependent on the prompt style used.

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

Thermodynamic Measure of Intelligence

arXiv:2606.20231v1 Announce Type: new Abstract: Can intelligence be measured? We propose that intelligence can be defined as the lawful amplification of rare but valid futures: a system increases the probability of outcomes that would be unlikely under passive dynamics but remain admissible under the constraints of the domain. We start with the premise that an intelligent system must model the world and its own place within it. Because the system is part of the world it models, this leads naturally to recursive self-simulation: the system represents futures in which its own actions are part of the trajectory. Our central results give a necessity statement and a conditional near-sufficiency statement connecting this architecture to a precise thermodynamic measure of lawful amplification of rare-valid futures: high rare-valid lift is impossible unless the internal simulation identifies rare-valid futures with high fidelity; conversely, when rare-valid fidelity is high and the simulation contains an effective policy, the achievable lift approaches the actuation-limited optimum. Thus recursive self-simulation is not merely a plausible feature of intelligence but, under the stated assumptions, is necessary and nearly sufficient for high thermodynamic intelligence. The resulting framework makes intelligence measurable on a universal scale, from passive matter and feedback controllers, large language models, and humans as text generators to Maxwell-demon-like information engines.

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

An Information Theoretic Framework for Graph Novelty Generation via Latent Mixture Modeling

arXiv:2606.19770v1 Announce Type: new Abstract: We propose an information-theoretic framework for graph novelty generation, which aims to generate data that are distinct from existing patterns while preserving global structural consistency. Our approach embeds data into a latent space, models the latent distribution using finite mixture models, and generates novel samples by imposing explicit novelty and reliability conditions formulated in terms of description length. Specifically, novelty is enforced by requiring generated samples to be poorly explained by all existing mixture components, while reliability constrains their impact on the overall mixture structure under the Minimum Description Length (MDL) principle. We provide a theoretical analysis showing that, with appropriate threshold choices, the probabilities of misclassifying non-novel or unreliable samples converge to zero with explicit rates. Experiments on synthetic and benchmark graph datasets demonstrate that the proposed method enables principled novelty generation with quantifiable risk.

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

MolmoMotion: Forecasting Point Trajectories in 3D with Language Instruction

Motion forecasting is central to visual intelligence: agents must anticipate how objects will move in order to plan actions, reason about physical interactions, and synthesize realistic futures. We argue that 3D points in world coordinates provide a general representation that is class-agnostic, view-stable, compact, and directly useful for downstream tasks. We formalize the task of goal-conditioned 3D point motion forecasting: given a short visual history, a set of 3D query points on an object of interest, and a language description of the intended goal, the model predicts the future 3D trajectory of each point. We introduce a full stack to study this task at scale: (1) MolmoMotion-1M is a large corpus of action-described, object-grounded 3D point trajectories annotated from 1.16M unconstrained videos; (2) PointMotionBench is a human-verified benchmark spanning 111 object categories and 61 motion types; and (3) MolmoMotion is a general motion forecasting model that supports both autoregressive coordinate prediction and flow-matching-based trajectory generation. MolmoMotion accurately predicts diverse motion patterns with different language instructions, and significantly outperforms existing motion prediction baselines on PointMotionBench. Finally, we show that the learned 3D motion prior transfers well to downstream applications: it improves training efficiency and generalization for robot manipulation, and its predicted trajectories provide effective motion guidance for generative models to synthesize videos with more realistic object motion.

10.
arXiv (CS.AI) 2026-06-12

CAPED: Context-Aware Privacy Exposure Defense for Mobile GUI Agents

arXiv:2606.12666v1 Announce Type: cross Abstract: Screenshot-based mobile GUI agents can operate ordinary smartphone apps through the same visual interface as a human user, but this capability also turns every screen observation into a privacy boundary. During normal task execution, screenshots may expose contacts, messages, photos, files, recommendations, health cues, and other sensitive context that is unrelated to the user's request. We call this problem incidental visual privacy exposure. It is difficult to address with existing defenses: text anonymization misses many visual and inferential cues, while generic privacy masking can remove the evidence and controls that a GUI agent needs to complete the task. This paper presents CAPED, a context-aware pre-upload exposure control layer for mobile GUI agents. CAPED is designed as a phone-side protection layer: before screenshots are released to a remote multimodal agent, it extracts task requirements, uses screen context as a privacy prior, parses visible UI elements, and selectively exposes only content needed for the current task while masking incidental private content. We evaluate CAPED on AndroidWorld for broad task utility and with a controlled 28-task seeded privacy evaluation used as a measurement instrument for trajectory-level incidental leakage. In this seeded evaluation, Full CAPED reduces success-conditioned weighted seeded leakage from 0.766 under raw screenshots to 0.268 while preserving high task utility. A broader AndroidWorld run shows a remaining prototype-level utility cost, but the results support the central claim that screenshot upload should be treated as an explicit device–cloud boundary decision, governed by task-driven selective exposure rather than all-or-nothing screen sharing.

11.
arXiv (CS.AI) 2026-06-17

SketchXplain: Intuitive Visual Explanations of Image Classifiers with Sketches

arXiv:2606.17646v1 Announce Type: cross Abstract: Saliency map visualizations explain image-based AI predictions by pointing to regions, but these are often unintuitive and semantically unclear, leaving an interpretability gap. We argue that AI explanations should be intuitive – coherent to user knowledge, yet simple and selective to accelerate interpretation. Inspired by artistic drawings, we propose SketchXplain to generate sketch-based visual explanations for intuitive image-based explainable AI (XAI). Combining techniques in saliency maps, concept-bottleneck models, and sketch optimization, SketchXplain integrates saliency to select coherent observation artifacts, concepts for knowledge coherence, cues to represent them, and abstraction for simplicity. Evaluating on face expression recognition, modeling and user studies showed that SketchXplain supported quicker interpretation with more aligned visualizations than saliency maps or simple drawings. Further evaluation on skin lesion diagnosis found that SketchXplain more coherently visualized disease symptoms, better supporting lay diagnosis. Thus, this work illustrates the value of sketches for intuitive, simple, coherent, and quick image-based XAI visualizations.

12.
arXiv (CS.LG) 2026-06-17

Characterizing Nash Equilibria in Zero-Sum Games: A Physics-Inspired, Parallelizable Approach with a Linear Number of Gradient Queries

arXiv:2507.11366v2 Announce Type: replace-cross Abstract: We study online optimization methods for zero-sum games, a fundamental problem in adversarial learning in machine learning, economics, and many other domains. Traditional methods approximate Nash equilibria (NE) using either regret-based methods (time-average convergence) or contraction-map-based methods (last-iterate convergence). We propose a new method based on Hamiltonian dynamics in physics and prove that it can characterize the set of NE in a finite (linear) number of iterations of alternating gradient descent in the unbounded setting, modulo degeneracy, a first in online optimization. Unlike standard methods for computing NE, our proposed approach can be parallelized and works with arbitrary learning rates, both firsts in algorithmic game theory. Experimentally, we support our results by showing our approach drastically outperforms standard methods.

13.
arXiv (quant-ph) 2026-06-16

Quantum speedup from nonclassical polarization

arXiv:2603.23124v2 Announce Type: replace Abstract: We develop a framework for identifying nonclassical speedups in systems with polarization, likewise spin degrees of freedom. By confining the dynamics to the manifold of angular momentum coherent states, which act as the classical reference in this case, we compute the speed limit that bounds the rate of change of the state achievable without generating quantum coherence. A comparison with the unrestricted quantum speed limit enables the quantitative identification of speedups arising from polarization nonclassicality. We apply this framework to the cross-Kerr interaction, demonstrating a persistent speedup scaling as $\mathcal{O}(\sqrt{N})$ with the photon number $N$ with a parity effect in favour of even photon numbers. The results establish polarization nonclassicality as a genuine dynamical resource, linking quantum coherence to quantum-enhanced evolution speeds in nonlinear photonic systems.

14.
arXiv (CS.CL) 2026-06-18

ActMem: Bridging the Gap Between Memory Retrieval and Reasoning in LLM Agents

Memory management is essential for LLM agents in long-term interactions. Current memory frameworks typically treat agents as passive ``recorders'' and retrieve information without understanding its deeper implications. They may fail in scenarios requiring reasoning and complex decision-making. To bridge this critical gap, we propose a novel actionable memory framework called ActMem that integrates memory retrieval with active causal reasoning. ActMem transforms unstructured dialogue history into a structured causal and semantic graph. By leveraging counterfactual reasoning and commonsense completion, it enables agents to deduce implicit constraints and resolve potential conflicts between past states and current intentions. Furthermore, we introduce a comprehensive dataset ActMemEval to evaluate agent reasoning capabilities in logic-driven scenarios, moving beyond the fact-retrieval focus of existing memory benchmarks. Experiments demonstrate that ActMem significantly outperforms baselines in handling complex, memory-dependent tasks, paving the way for more consistent and reliable intelligent assistants.

15.
arXiv (CS.AI) 2026-06-17

A homotopy-type-theoretic generalization of neurosymbolic inference

arXiv:2606.17851v1 Announce Type: new Abstract: A wide range of neurosymbolic (NeSy) systems compute one functional: a belief-weighted sum of a logical quantity over a space of $\sigma$-structures, of which weighted model counting, fuzzy logic, and probabilistic logic are special cases. This account is built on sets, and a set deliberately forgets two things that are important for NeSy: when two $\sigma$-structures are the same up to a symmetry of the theory, and how many distinct proofs witness a query. Replacing the underlying sets by types, in the sense of homotopy type theory, preserves this information, and turns this functional into a belief-weighted homotopy cardinality, a notion of size that counts each object in inverse proportion to its symmetries. We develop the framework from scratch for NeSy systems, prove a conservativity theorem that recovers the classical functional when symmetries are trivial, and show that the symmetry our framework exposes is exactly the one behind reasoning shortcuts. The payoff is concrete: the shortcut-aware concept posterior that recent methods reach by ensembling or expressive density estimation is the only symmetry-invariant point of the confusion-set simplex, computable in closed form by averaging a single model over the symmetry group. On MNIST reasoning-shortcut benchmarks this single-model wrapper is better calibrated than a diversity-trained ensemble, while leaving label accuracy and identifiable concepts untouched. Code is freely available at https://github.com/bio-ontology-research-group/hott-nesy.

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

Persuasion Index: A Theory-Guided Framework for Persuasion Analysis

Identifying persuasive rhetorical cues is critical across domains, from detecting information manipulation and improving AI safety to advancing public health communication. We propose Persuasion Index (PI), a taxonomy of 15 dimensions grounded in persuasion theories from psychology and communication, and one transparent implementation using 55 sub-features built from lexicons and rule-based detectors. The taxonomy is modular: individual detectors can be replaced while preserving the theoretical structure. By evaluating PI on four public datasets varying in domain, style, and outcome measures, we show that PI provides a shared feature space for interpreting rhetorical patterns associated with persuasion-related outcomes. Linear models show that PI features carry meaningful predictive signal while remaining computationally lightweight. Dimension-level analyses reveal recurring associations between PI dimensions and persuasion outcomes across datasets, while also highlighting topic- and stance-specific variation. We release PI as an open-source package and web interface for principled and auditable analysis of human and AI-mediated communication.

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

An Extensive Benchmark for Single-round and Multi-round Instruction-based Image Editing

In recent years, there have been notable advancements in the area of instruction-based image editing (IIE), which focuses on the automatic alteration of input images using a model. Nevertheless, assessing the effectiveness of these editing models poses a considerable challenge due to the intricate nature of instructions and the wide variety of edits. To tackle this problem, one urgent task in this domain is the development of a robust evaluation framework that can precisely gauge the quality of editing outcomes and offer valuable benchmarks to guide future improvements. To address this challenge, we present a comprehensive evaluation benchmark named I2EBench2.0, designed for single-round and multi-round assessment of IIE models. I2EBench2.0 has four key features: 1) Evaluation Across Single and Multi-rounds: I2EBench2.0 simultaneously evaluates both single-round and multi-round instruction-based edits, assessing the precision and consistency of the edits. 2) Extensive Evaluation Criteria: I2EBench2.0 encompasses a broad range of criteria, evaluating both high-level and low-level aspects of each IIE model. Specifically, it incorporates 16 dimensions for single-round evaluations and 7 for multi-round evaluations. 3) Alignment with Human Judgment: To ensure our benchmark aligns with human evaluation, we conducted a comprehensive user study for each criterion. 4) Research-driven Insights: By analyzing the strengths and weaknesses of current IIE models across all 16 single-round and 7 multi-round dimensions, we provide critical insights aimed at directing future research in this area. We tested eight recently developed IIE models using I2EBench2.0 and derived academic insights through meticulous comparison and analysis. The related code, dataset, and images generated by all IIE models are available on GitHub: https://github.com/cocoshe/I2EBench.

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

Beyond Compaction: Structured Context Eviction for Long-Horizon Agents

We present Context Window Lifecycle (CWL), a context-management scheme that gives long-horizon LLM agents an effectively unbounded working horizon. As a session accumulates history, CWL keeps the context within budget through graduated, semantically-aware eviction: the agent annotates its trajectory as typed, dependency-linked episodes as work proceeds, and a deterministic, LLM-free policy evicts content in priority order within that structure when a token budget is exceeded. CWL preserves user turns and the exploratory context the agent is actively reasoning over, while aggressively shedding action episodes whose effects are already persisted in the environment, keeping active context near a stable ceiling that also avoids the performance degradation associated with very large prompts. Compared to summarization-based compaction, CWL avoids four well-known limitations: unpredictable lossiness, destruction of causal structure, blocking model cost, and compression-induced hallucination. Compared to recency truncation, CWL is semantically aware: it drops the oldest-and-most-recoverable content according to the dependency graph rather than oldest-in-time regardless of relevance. We describe the annotation protocol, the episode graph, the eviction policy, and the token-accounting loop, and evaluate CWL on long-horizon agentic benchmarks: a single agent session completing 89 sequential tasks across 80 million tokens with no measurable degradation in task accuracy relative to per-task isolated sessions

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

T2S: A Rehearsal-Based Approach for Extraction-Resistant Model Watermarking

arXiv:2606.11698v1 Announce Type: cross Abstract: Model watermarking safeguards AI model intellectual property by embedding distinctive knowledge that induces unique behavioral signatures. The primary technical challenge lies in ensuring watermark robustness against various post-processing attacks on the watermarked model. Model extraction attacks emerge as the most severe threat, where adversaries exploit prediction outputs to train surrogate models that illegally replicate the original model's functionality. In this work, we propose a rehearsal-based watermark embedding framework to enhance the robustness of model watermarks against model extraction attacks. By simulating the extraction process, our method leverages the loss of a simulated stolen model on a trigger set as a training signal to fine-tune the watermark knowledge within the target model. This fine-tuning step encourages the watermark to be embedded in a way that boosts transferability, thereby increasing its chances of persisting and remaining detectable in stolen models. Comprehensive experiments conducted under diverse settings demonstrate that the proposed method significantly improves the robustness of model watermarks against both model extraction and subsequent watermark removal attacks.

20.
arXiv (CS.CL) 2026-06-16

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

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

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

Lect\=uraAgents: A Multi-Agent Framework for Adaptive Personalized AI-Assisted Learning and Embodied Teaching

Effective personalized AI-assisted learning demands systems that can not only generate accurate learner-specific educational materials, but also dynamically adapt their instruction to diverse learners. However, existing educational agents have primarily focused on lecture content automation and simulations, which often fall short of modelling multimodal and embodied instructional methods tailored for the individual learner. To this end, we propose Lect\=uraAgents - a multi-agent framework that enables personalized learning through end-to-end adaptive embodied teaching. At its core, Lect\=uraAgents mirrors a professor-student relationship, in which a ProfessorAgent leads a collaborative team of specialized subordinate agents through research, planning, review, and embodied delivery of lecture contents that adapt to a learner's needs. The framework offers three main contributions: (1) a hierarchical multi-agent architecture for end-to-end personalized learning; (2) an adaptive embodied teaching mechanism, wherein the ProfessorAgent executes visible and pedagogically motivated teaching actions (e.g., handwrite, highlight, underline, etc.) over contents in a teaching environment; and (3) a Teaching Action-Speech Alignment (TASA) algorithm that employs salience-based heuristics and temporal semantic segmentation to generate coherent teaching action sequences aligned with learner profiles. We evaluate Lect\=uraAgents on diverse courses at high school, undergraduate, and graduate levels using sample-specific rubric-based analysis; with generated lecture materials and teaching actions assessed and validated by expert educators. Experimental results show consistent gains in lecture content quality, embodied teaching quality, assessment, and personalization over existing approaches, positioning Lect\=uraAgents as a pedagogically well-grounded framework for personalized learning at scale.

22.
arXiv (CS.CL) 2026-06-12

MDForge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback

Molecular dynamics (MD) is the canonical in-silico method for atomistic molecular science, simulating molecular behavior from first-principle physics. Designing an MD pipeline for a new system requires substantial expert knowledge: running it on even one molecule is expensive, ruling out trial-and-error. We automate this expert pipeline-design process with an LLM agent. Unlike existing MD agents that orchestrate a predefined tool set, we treat pipeline design as open-ended code generation in which the agent's behavior is reshaped online by verbal reward. Specifically, we build MDForge, an LLM agent whose in-context update rule densifies the sparse reward via a multi-agent debate among physics experts. On three SAMPL host-guest binding free-energy benchmarks, MDForge automatically designs MD pipelines competitive with human experts. Deployed on a library of unseen candidate guests, its CB[7] pipeline discovers a novel binder that wet-lab competition NMR confirms is a high-affinity, picomolar CB[7] binder. Our data and code are available at https://github.com/Zehong-Wang/MDForge.

23.
arXiv (CS.AI) 2026-06-11

Lung-SRAD: Spectral-Aware Regularized Audio DASS with Dual-Axis Patch-Mix Contrastive Learning for Respiratory Sound Classification

arXiv:2606.11922v1 Announce Type: cross Abstract: Recent respiratory sound classification (RSC) studies largely rely on CLS-token driven self-attention architectures such as the Audio Spectrogram Transformer (AST). While effective at modeling global context, recent analyses suggest a low-pass filtering behavior that may reduce sensitivity to localized abnormal patterns. In this work, we investigate State Space Models (SSMs) as an alternative backbone for RSC. Using the Distilled Audio State Space model, we analyze intermediate representations through spectral response curves and observe stronger preservation of mid-to-high spatial-frequency components. Based on these observations, we introduce spectral-aware layer regularization using Gaussian convolution applied to selected layers. We further propose Dual-Axis Patch-Mix contrastive learning tailored to SSM-based audio models for robust representation learning. Experiments on the ICBHI benchmark show that our approach achieves 64.48% score, outperforming the AST baseline by 5%. Code is available at https://github.com/RSC-Toolkit/Lung-SRAD.

24.
arXiv (CS.AI) 2026-06-16

CIWI-CKT: Chaos-Informed Wave Interference Feature Fusion and Cross-City Knowledge Transfer for Traffic Flow Forecasting

arXiv:2606.15642v1 Announce Type: cross Abstract: Accurate traffic flow prediction remains challenging in cross-city, data-scarce scenarios where limited historical data hinders model generalisation. The chaotic nature of traffic dynamics, complex spatio-temporal dependencies, and heterogeneous urban networks complicate few-shot learning across cities. Existing deep learning approaches either treat traffic as purely deterministic or lack mechanisms to model wave-like interference patterns essential for cross-regime traffic dynamics. To address these limitations, this paper proposes CIWI-CKT, a novel Chaos-Informed Wave Interference Feature Fusion framework with Cross-City Knowledge Transfer. Our framework introduces three core innovations: chaos-informed wave generation that extracts measurable chaos invariants and models traffic as adaptive wave components; meta-interference processing that captures wave interactions between support and query regimes while producing a predictability score for confidence estimation; and chaos-aware meta-learning that enables efficient cross-city knowledge transfer while preserving chaotic characteristics. We establish theoretical guarantees including chaos-to-wave stability, wave-induced dimension reduction, and meta-learning generalisation bounds. Extensive experiments on four real-world traffic datasets demonstrate that CIWI-CKT significantly outperforms state-of-the-art spatio-temporal graph learning, transfer learning, prompt-based, and few-shot methods, improving prediction accuracy while substantially reducing required training data.

25.
arXiv (CS.CV) 2026-06-11

MentisOculi: Revealing the Limits of Reasoning with Mental Imagery

Frontier models are transitioning from multimodal large language models (MLLMs) that merely ingest visual information to unified multimodal models (UMMs) capable of native interleaved generation. This shift has sparked interest in using intermediate visualizations as a reasoning aid, akin to human mental imagery. Central to this idea is the ability to form, maintain, and manipulate visual representations in a goal-oriented manner. To evaluate and probe this capability, we develop MentisOculi, a procedural, stratified suite of multi-step reasoning problems amenable to visual solution, tuned to challenge frontier models. Evaluating visual strategies ranging from latent tokens to explicit generated imagery, we find they generally fail to improve performance. Analysis of UMMs specifically exposes a critical limitation: While they possess the textual reasoning capacity to solve a task and can sometimes generate correct visuals, they suffer from compounding generation errors and fail to leverage even ground-truth visualizations. Our findings suggest that despite their inherent appeal, visual thoughts do not yet benefit model reasoning. MentisOculi establishes the necessary foundation to analyze and close this gap across diverse model families.