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Friday 4 September

Artificial Intelligence

Uncensored Open-weight Models: Redistribution as the Persistence Layer

A rapidly expanding ecosystem of actors is removing built-in safety guardrails from open-weight AI models. We profile this ecosystem by identifying key producers, downstream reproductions, and emerging applications. Between January 2024 and March 2026, we identified 3,471 original uncensored models on HuggingFace, each repackaged an average of 2.4 times; three actors account for 52% of all 8,164 compressed redistributions. Once quantized and mirrored across separate accounts, formats, and registries such as Ollama, these models persist regardless of upstream removal and become easier to deploy downstream. Of the 1,643 identified GitHub applications integrating uncensored large language models (ULLMs), 25% were classified as explicitly malicious.
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All authors 10a Labs: Juliette Garcia, Hailey May, Bobby McKenzie, David Pham, Matthew Swain, Joshua Valdez, Corie Wieland, Zachary Yahn

Artificial Intelligence · Cross-listed from cs.LG

PRICE: A Systematic Study of LLM Adaptation Choices for Bitcoin Price Forecasting

Cryptocurrency markets exhibit extreme volatility and non-stationary dynamics that challenge conventional forecasting methods. Although Large Language Models (LLMs) have shown promise for time series forecasting, the combined effects of adaptation choices remain largely unexplored in financial settings. This study introduces PRICE, a structured approach for adapting LLMs to short-term Bitcoin price forecasting. Built on a 4-bit quantized LLaMA-3 8B model, PRICE investigates how fine-tuning, numerical representation, prompting, inference, and decoding jointly influence forecasting performance. PRICE integrates Parameter-efficient fine-tuning with Low-Rank Adaptation (LoRA), Recursive multi-step inference, Integer-rounded numerical representation, Context-Task-Format (CTF) prompting, and Exact zero-temperature decoding. Ablation studies show that each component contributes to forecasting accuracy and reliability. LoRA enables efficient training on limited hardware, recursive inference improves accuracy, integer-rounded values reduce errors, CTF prompting outperforms Chain-of-Thought, Implicit Chain-of-Thought (iCoT), and few-shot prompting, and zero-temperature decoding improves stability during recursive forecasting. Comparative evaluation against eight transformer-based and time-series foundation models shows that PRICE achieves the lowest forecasting errors on both validation and test sets while maintaining robust performance across evaluation periods. Despite being based on a model primarily pretrained on text rather than time-series data, PRICE achieves competitive or superior performance relative to specialized foundation models. These findings demonstrate that adaptation choices critically determine the accuracy and robustness of LLMs for numerical time-series forecasting.
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Artificial Intelligence

Substrate-Aware AI Agents: Execution Context as a First-Class Input

Autonomous AI agents increasingly select actions in environments whose memory, execution-time, runtime, compute, and operational constraints determine what counts as a suitable plan. We call the absence of this execution context from an agent's planning state substrate blindness. We test this general proposition through numerical code generation, where selected implementation choices and operational consequences are directly observable. Three frontier model configurations–Anthropic Claude Opus 5, OpenAI GPT-5.6-Sol, and Google Gemini 3.7 Flash–generate code for a high-dimensional pairwise Euclidean-distance task either from the task alone or with a 128 MB RAM and 10.0 s wall-time contract. Contract disclosure reduced measured peak process memory in 13 of 14 executable index-aligned task-only versus contract-disclosed comparisons and reduced mean wall time in all three cohorts, making execution up to 3.1x faster. Across the audited corpus, disclosure produced structural code changes including bounded blocking, float32 retention, upper-triangle traversal, and in-place or memory-mapped buffers. At a tighter 96 MB contract, independently sampled contract-disclosed cohorts achieved correct-and-within-budget outcomes of 4/5 for Claude Opus 5, 5/5 for GPT-5.6-Sol, and 3/5 for Gemini 3.7 Flash, compared with task-only outcomes of 0/5, 1/5, and 0/5; cohort mean MaxRSS and wall time were 49-74% and 35-64% lower than their task-only references. These results establish a controlled proof of concept for substrate-aware agent planning: a minimal execution contract induces proactive structural adaptation in generated programs, shifting computation away from unconstrained allocations and substantially improving observed resource-time profiles before execution.
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Artificial Intelligence

ACE: Adaptive Calibration-Free Expert Skipping for MoE-based LLMs

Mixture-of-Experts (MoE) architectures provide an efficient paradigm for scaling large language models (LLMs), yet fixed top-k routing activates the same number of expert slots for every token, causing substantial redundant computation. Existing expert-skipping methods often rely on router confidence, calibration data, or additional training, and therefore cannot reliably estimate the actual contribution of routed experts. To this end, we propose ACE, a training-free, calibration-free, and checkpoint-preserving framework for token-adaptive expert skipping in MoE-based LLMs. ACE contains two complementary components: 1) Global Spectral Proxy (GSP), which estimates global transformation capacity from the coupled gate, up, and down projections together with RMSNorm scaling; and 2) Router-Conditioned Refinement (RCR), which constructs expert-specific direction prototypes from centered router weights and evaluates expert responses along routing-preferred directions. During inference, ACE combines both estimates with runtime router gates and skips an expert slot only when both views identify it as low-contribution, while always retaining the top-1 expert. All expert statistics are computed offline, leaving only table lookups and lightweight scalar operations online. Extensive experiments across three MoE-based LLMs and eight benchmarks demonstrate that ACE consistently outperforms existing static and dynamic baselines, with increasingly pronounced advantages under aggressive expert skipping. For instance, at a 50% skipping ratio on Qwen3.6-35B-A3B, ACE reduces WikiText-2 perplexity by 7.96% and improves average downstream accuracy by 4.15 percentage points over the strongest competing method.
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All authors Zukang Xu, Zhixiong Zhao, Xing Hu, Jiangyong Yu, Houji Wen, Jun Li, Zhe Jiang, Dawei Yang

Artificial Intelligence

CABAL: Multi-Agent Simulacra for Tracing the Effects of Collusive Bidding in Peer Review

Recent reports during the AAAI-27 review cycle highlight the risk of reviewers coordinating bids for reciprocal assignment advantage. Prior work treats bidding, reviewer assignment, and review manipulation as separate stages, leaving the lifecycle effects of collusive bidding unclear. Real-world analysis is further constrained by typically unobservable collusive intent and the lack of counterfactuals for the same conference. Motivated by this gap, we introduce \alg, an end-to-end multi-agent simulacra framework for studying reviewer assignment integrity by holding the conference environment fixed and configuring LLM-driven reviewer agents with honest or collusive policies. We further develop an affinity-guided collusive bidding strategy that uses mutual reviewer-paper affinities to construct collusion rings and select target papers, producing expertise-consistent rather than arbitrarily targeted attacks. Controlled experiments show that collusive bidding more than doubles target-paper capture and that assigned colluders score target papers about two points higher than honest co-reviewers, while conference-wide effects remain comparatively modest. Evaluated bid-phase detectors provide only limited evidence of collusion: in a fixed-triplet detector stress test, native positive-bid graphs are confounded by benign affinity, while a Very-High-only diagnostic view enables precise but low-coverage local recovery.
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All authors Jicheng Zhou, Kemou Li, Kahim Wong, Zheyuan Li, Zhuan Shi, Fengpeng Li, Haiwei Wu, Jiantao Zhou

Artificial Intelligence · Cross-listed from cs.CL

A Verifier-Guided Explainable Reasoning Framework with Gold-Anchored QLoRA, Task-Aware Mixture-of-Experts, and Group-Relative RLVR

Large language models (LLMs) show strong reasoning ability, but their explanations can remain inconsistent, weakly grounded, or difficult to verify. We propose a verifier-guided explainable reasoning framework for transparent educational question answering that combines gold-anchored QLoRA, task-aware symbolic routing, and group-relative RLVR. Qwen2.5-3B-Instruct is first adapted with field-weighted QLoRA supervision anchored to authoritative answers. A lightweight router then assigns logic problems to a FOL/Z3 verifier and physics problems to a formula- and unit aware symbolic solver. Verifier feedback is further used to support candidate evaluation, self-revision, and reward construction during RLVR. Candidate responses are evaluated along three complementary dimensions: P1 for answer correctness, P2 for evidence or unit consistency, and P3 for reasoning depth and explainability. At inference, gold-free self-consistency aggregates multiple candidate responses before an optional question-only physics verifier performs conservative system-level correction. On 438 held-out examples, RLVR increases P3 from 50.68% to 72.20%, while hybrid P1 remains approximately stable at 55.94%. Self-consistency improves model only P1 from 48.86% to 50.23%, with symbolic verification providing the remaining hybrid gain. These results indicate that RLVR primarily strengthens explicit reasoning structure, while symbolic verification complements the neural policy by improving answer reliability at the system level.
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All authors Thi Kim Trang Vo, Nam Tien Le, Thi Kim Nguyet Vo, Minh Khang Tran, Duy Phuong Tran

Artificial Intelligence

What Matters in On-Policy Distillation? A Perspective on Data Efficiency and Data Selection

On-Policy Distillation (OPD) has emerged as a widely adopted post-training paradigm for enhancing large language models in reasoning domains. However, the data-centric mechanisms in OPD remain relatively underexplored. This paper presents an empirical study of data efficiency and data selection in OPD. We begin by investigating an extreme setting: training OPD on only one example, namely 1-shot OPD. Surprisingly, we find that 1-shot OPD is consistently effective across all sampled training examples and harder examples often yield superior performance gain. We next investigate what actually drives the student model's improvement in the training data. Our analysis reveals that the improvement is not driven by high token entropy, but the longer CoT paths which hard problem naturally generate. Training on longer CoT can help maintain closer alignment with the teacher over a long reasoning horizon, and learn critical thinking patterns usually missing in short CoTs, such as reflection (e.g., "Alternatively"). Based on these insights, we propose a simple data selection method that selects only hard examples for training, where even "unsolvable" examples that completely exceed the teacher's capability can be successfully used. Our experiments conducted on five models ranging from 1.5B to 8B show that training the student model on only 8 selected hard examples matches the performance of the 17K dataset baseline. Code and models will be publicly available.
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All authors Zhinan Hou, Jiaqi Zhang, Xunliang Cai, Keyou You

Artificial Intelligence · Cross-listed from cs.LG

Phase Transition Frequency as a Training Time Predictor of Test Accuracy in ResNets

The number of discrete class-separability jumps observed during ResNet finetuning is examined empirically as a predictor of final test accuracy. Across 75 experiments spanning four benchmarks (CIFAR-10, CIFAR-100, TinyImageNet, and CIFAR-10-C) and three architectures (ResNet-18, ResNet-50, and ResNet-101), with five to ten seeds per configuration, a strong within-dataset negative correlation is obtained on standard i.i.d. classification benchmarks: \(r = -0.84\) on CIFAR-10 (\(p < 10^{-8}\), \(n = 30\)) and \(r = -0.87\) on CIFAR-100 (\(p < 10^{-5}\), \(n = 15\)). Under distributional stress, the relationship attenuates: TinyImageNet yields \(r = -0.45\), and the CIFAR-10-C corruption benchmark yields \(r = -0.19\). Two additional analyses discipline the empirical claim. A partial correlation controlling for architecture depth, treated as a linear covariate, shows that on CIFAR-100 the transition count retains statistically significant predictive power (\(r_{\mathrm{partial}} = -0.69\), \(p = 0.007\)); the corresponding result under the stricter categorical conditioning is not established at \(n = 15\). A comparison against six alternative training-curve signals shows that transition count achieved the strongest correlation among the evaluated signals on CIFAR-100 and one of the strongest on CIFAR-10, but is dominated by other signals on the two stressed benchmarks. The comparison is restricted to training-curve-level signals; comparisons against effective rank, Hessian sharpness, Fisher information, margin, and neural-collapse measures, which are the strongest competitors in the current literature, are not part of the present study and remain open. The observation is presented as an in-distribution training-quality probe among a family of candidate probes, and an inexpensive detection procedure suitable for logging alongside a standard training loop is provided.
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Artificial Intelligence

The Mirror Agent Model: a Bayesian Architecture for Interpretable Agent Behavior

In this paper we illustrate a novel architecture generating interpretable behavior and explanations. We refer to this architecture as the Mirror Agent Model because it defines the observer model, that is the target of explicit and implicit communications, as a mirror of the agent's. With the goal of providing a general understanding of this work, we firstly show prior relevant results addressing the informative communication of agents intentions and the production of legible behavior. In the second part of the paper we furnish the architecture with novel capabilities for explanations through off-the-shelf saliency methods, followed by preliminary qualitative results.
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Artificial Intelligence · Cross-listed from quant-ph

AxQM: A Textbook-Scale Benchmark for Formal Proof Synthesis in a Library of Finite-Dimensional Quantum Mechanics

Formalizing mathematics in a proof assistant, where a machine checks every definition, statement and proof, has set a new standard of rigor. Large language models are now capable of formalizing autonomously, even at the scale of whole textbooks. We bring this standard of rigor to physics, where theoretical arguments carry idealizations that are rarely stated fully, and any logical gaps could have a cascading effect on interdependent results. Recognizing the need to evaluate autoformalization systems for physics, we release AxQM, 1,019 kernel-checkable proof-synthesis tasks over 479 items drawn from the textbook Quantum Computation and Quantum Information by Nielsen and Chuang. The tasks are stated in a custom Lean library of finite-dimensional quantum mechanics. By task count, it is the largest proof-synthesis benchmark in physics by a factor of four. AxQM is derived from a near-complete formalization of the formal portions of the textbook, so every task is guaranteed a solution, which we keep private. Grading of the benchmark is done deterministically by the Lean kernel, which checks that the proof compiles, that no sorry appears in it or in any declaration it depends on, and that it introduces no new axioms.
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All authors Weichen Winston Yin, Jacob M. Taylor, Dirk R. Englund, Frank H.L. Koppens

Artificial Intelligence · Cross-listed from cs.LG

Beyond Stationarity in Time Series: Discovering Causal Structures and Latent Regimes via Markov Blankets

This paper introduces Regime-aware Constraint-Based and Noise-Based causal discovery with Markov Blankets (RCBNB-MB), a novel causal discovery algorithm for time series that relaxes the common assumption of a single, time-consistent causal structure. Time series are typically observed at discrete time points and often exhibit regime changes that challenge the assumption of a static causal structure, a limitation in many real-world dynamic systems. To address this challenge, RCBNB-MB identifies latent causal regimes, defined as subsets of time points within which a stable causal structure holds. The algorithm follows an iterative strategy that segments the time series into regimes and discovers the causal graph within each regime. By leveraging the Markov blanket rather than direct parents, RCBNB-MB gains robustness to errors in causal discovery and preserves predictive information. We provide theoretical guarantees for RCBNB-MB's ability to recover both regime transitions and causal graphs under reasonable assumptions. Furthermore, we validate its effectiveness through extensive experiments on simulated datasets with known ground truth and real-world IT monitoring data, where taking into account regime shifts is critical. Empirical results show that RCBNB-MB systematically outperforms baseline approaches in accurately detecting regime changes and their associated causal graphs, positioning it as a robust and versatile framework for non-stationary time series analysis.
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All authors Lei Zan, Charles K. Assaad, Emilie Devijver, Eric Gaussier

Artificial Intelligence

A Hybrid Predictive Ensemble of Machine Learning and Deep Neural Networks for Early Cardiovascular Disease Risk Assessment

This study introduces an intelligent framework that integrates machine learning and deep neural network ensemble techniques for early detection and prognosis of cardiovascular diseases. The system utilizes real-time physiological data collected from Internet of Medical Things (IoMT) devices, including ECG sensors, heart rate monitors, and blood pressure trackers. To ensure the accuracy and reliability of input data, preprocessing steps such as noise reduction, normalization, and missing value imputation are employed. The most significant health indicators are identified through effective feature selection methods and then processed using optimized classifiers such as Support Vector Machines (SVM), Random Forests, and eXtreme Gradient Boosting (XGBoost), which are combined in an ensemble architecture to improve diagnostic precision. The framework demonstrates remarkable performance in predicting cardiovascular disease risk, achieving higher accuracy, reduced false positives, and enhanced consistency compared to conventional methods. It is designed on a cloud-based infrastructure that ensures scalability and real-time processing for continuous patient monitoring. Experimental evaluation on real-world cardiovascular datasets confirms the framework's efficiency in early-stage risk assessment and clinical decision support. The results highlight the potential of combining traditional machine learning and deep learning paradigms to achieve proactive healthcare management and improve patient outcomes.
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Artificial Intelligence · Cross-listed from cs.CL

A Human-in-the-Loop Framework for AI-Assisted Scoring in Large-Scale Writing Assessment

The integration of artificial intelligence (AI), particularly large language models (LLMs), into educational assessment has opened new opportunities to enhance the efficiency and scalability of grading processes. This study presents the design and validation of an AI-assisted scoring framework for written responses in a large-scale national assessment. The proposed approach focuses on short written texts of approximately 150-200 words and incorporates a human-in-the-loop strategy to preserve assessment quality while reducing manual workload. The study is grounded in a real operational context, using data from two recent editions of a nationwide test, each comprising approximately 5,000 student responses. We analyze the alignment between AI-generated scores and human raters across multiple rubric dimensions, as well as the impact of the proposed decision flow on pass/fail outcomes. Results show moderate to high agreement between the model and human evaluations in most dimensions, supporting the feasibility of AI assistance in this setting. Moreover, the proposed correction workflow identifies cases where human review is most valuable, enabling a more efficient allocation of expert effort. The findings suggest that AI-assisted scoring can be safely integrated into large-scale assessment processes only when combined with carefully designed human oversight. The paper concludes by discussing practical implications for deployment in national assessment systems and outlining future research directions, including longitudinal monitoring of model-human alignment and the analysis of potential cognitive bias introduced by AI-supported review workflows.
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All authors María Eugenia Curi, Germán Capdehourat, Isabel Amigo, Magdalena Romano, Rosana Serra, Adrián Silveira, Andrés Peri

Artificial Intelligence

SciDocBench: A Workflow-Centered Benchmark and Data Pipeline for Scientific Document Understanding

Scientific papers require models to integrate evidence across text, equations, figures, tables, code, and datasets while preserving its provenance. Beyond answer correctness, scientific reading requires verifiable outputs from operations such as evidence localization, definition extraction, and consistency checking. We introduce SciDocBench, a workflow-centered benchmark targeting these operations through 124 expert-authored and difficulty-screened questions across seven research-assistant capability groups, 19 subtasks, and five scientific domains. Each question is instantiated in four matched settings formed by pairing its bilingual variants with the All Images First and Markdown Interleaved document representations, yielding 496 evaluation instances. The strongest evaluated model, Claude-Opus-5, scores 62.6 out of 100, with remaining gaps in evidence localization, structured information extraction, cross-document synthesis, and robustness to document representation. To convert these diagnostics into scalable training signals, we introduce SciDocIR, a structured representation of scientific document objects, layout and cross-reference relations, and provenance. Using SciDocIR, we construct SciDocDataset, which contains 4K supervised fine-tuning instances and 10K reinforcement-learning instances, built on 14 verifiable training subtasks. Post-training Qwen3.6-27B on task-aligned data improves its SciDocBench score from 40.03 to 45.33 with supervised fine-tuning and to 45.74 with subsequent reinforcement learning. Both adapted models preserve DocVQA and InfoVQA performance and improve ChartQA accuracy over the original model by 0.80 and 3.40 points, respectively. Together, SciDocBench, SciDocIR, and SciDocDataset connect capability diagnosis with verifiable training-data construction for scientific-document assistants.
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All authors Shenxi Wu, Yuhong Liu, Haosong Zhang, Tongjin Zou, Yanxun Zhang, Gaochang Chen, Dun Liang, Jiaqi Wang, Zhecan James Wang, Yuhang Zang, Dahua Lin

Artificial Intelligence · Cross-listed from cs.RO

A Schema Bounded Language Model for Refining Robot Policies Without Destabilizing Local Learning

This paper addresses navigation by composite heterogeneous robots in a decentralized system when policy reasoning and local control operate at different update levels. In a NetLogo–Python implementation, three robots share motion dynamics but use different LLM backends. Each robot independently combines a large language model (LLM) policy agent, an Upper Confidence Bound (UCB) bandit, and a Double Deep Q-Network (Double DQN) controller; no central LLM generates team actions. LLM inference is confined to round-level policy generation and refinement rather than tick-level action selection. The robots perform cross-LLM communication through a shared round summary containing policies, outcomes, and learning feedback. UCB performs refinement-mode selection, and the policy-conditioned Double DQN performs tick-level action selection from navigation variables, active policy parameters, and the LLM action prior. Each of the four configurations was evaluated over 30 rounds. In the fixed simulation, the complete configuration reached the goal in all 90 correlated robot–round records and achieved the lowest median completion time (42 ticks) and P90 (73.2 ticks); its median was 25.0–39.1% lower than those of the other configurations. These observations provide descriptive, configuration-level evidence from the evaluated configurations.
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All authors Chongwen Dong, Mithun Paul Saint-Germain, Pinjari Asif, Carlo R. daCunha

Artificial Intelligence · Cross-listed from cs.CR

TIER: Threat Implicitness Benchmark for Evaluating LLM Safety Behaviors

Current LLM safety benchmarks largely rely on binary metrics, overlooking how models respond to harmful prompts with varying threat implicitness. We introduce TIER, a Threat Implicitness Benchmark for behavioral safety evaluation of LLMs. TIER covers four risk domains and four threat levels, from explicit harmful requests to sophisticated jailbreaks. Responses are assessed using a six-label behavior scale and two independent LLM judges. Experiments on six open-weight LLMs show that safety behaviors evolve gradually across threat levels rather than shifting directly from refusal to compliance. Contextual prompts yield the most diverse behaviors, while jailbreaks reveal the largest robustness gaps. Furthermore, models with similar Attack Success Rates can exhibit distinct response distributions, highlighting the need for behavior-aware LLM safety evaluation.
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All authors Thu-Hien Trinh-Thi, Hai-Yen Vong, Thanh-Ha Ung-Dung, Tram Ho

Artificial Intelligence

Unifying ICL, SFT, KL-Regularized RL Through a Bayesian Lens

Supervised fine-tuning (SFT), few-shot in-context learning (ICL), KL-regularized RLHF/RLVR, and on-policy distillation are usually treated as distinct post-training paradigms. We develop a unified Bayesian perspective in which each is an instance of a two-step template: construct a (generalized) Bayes or Gibbs posterior from a reference model and a utility signal (log-likelihood, reward, or advantage), then approximate it by a forward-KL projection onto a parametric family, either in-weights (SFT/RL) or in-context (ICL). This yields a single chain of equivalences: few-shot ICL is an amortized projection onto the Bayes posterior predictive, and reward-weighted SFT, reward-weighted ICL, and advantage-weighted SFT are forward-KL projections of reward-induced Gibbs posteriors. The framework explains why supervised warm-up is practically unavoidable for importance-weighted projections, and interprets R1/o1-style reasoning models as combining test-time Bayesian search with training-time amortization. Matched-budget experiments on Qwen3 models corroborate the picture: operators that share their learning-signal granularity produce nearly identical updates when support is good and diverge when it degrades, and reward-weighted projection performs on par with standard baselines.
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Artificial Intelligence

Compact Bellman-Grounded Cognitive Maps for Cost-Aware Navigation

Biological agents navigate familiar environments not by re-solving routes for each new goal, but by reusing a learned map built once and read off as goals change. Existing artificial cognitive-map models mimic this reuse, yet their guidance is not explicitly grounded in additive heterogeneous route costs. Furthermore, they often struggle with memory efficiency: representative state-indexed and high-rank spectral constructions incur substantial storage growth as the environment scales. We present BCM, which grounds a reusable cognitive map in local edge costs through a self-supervised Bellman-grounded objective and a compact coordinate encoding, supporting changing goal queries without per-goal retraining. On weighted grids of up to $N=1600$ nodes, BCM maintains full success and only a 5% mean Gap relative to exact Dijkstra search, compared with about $45\%$ for a connectivity-based spectral baseline. Notably, as the graph size increases from $N=400$ to $N=3600$, its memory footprint grows sublinearly while maintaining competitive performance, making our method scalable to complex environments. Together, these results show that additive route costs can be written into a compact, reusable cognitive-map representation, bridging the gap between biological flexibility and optimal path planning.
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Artificial Intelligence · Cross-listed from cs.LG

NEAT-POCKET: Pocket-Conditioned Autoregressive 3D Molecular Generation with a Neighborhood-Guided Set Transformer

AI-driven de novo molecular design offers a promising route to accelerate early-stage drug discovery by generating novel ligands directly within target protein binding pockets. We present NEAT-POCKET, a pocket-conditioned extension of the autoregressive NEAT model for 3D molecular generation. NEAT-POCKET generates molecules atom by atom in protein pocket environments while preserving atom permutation invariance and explicitly modeling hydrogen atoms. Benchmarks on the CrossDocked and SPINDR datasets show that NEAT-POCKET achieves competitive structure-based generation performance while sampling substantially faster than existing baselines. Beyond full-molecule generation, NEAT-POCKET naturally enables pocket-conditioned fragment completion, a task directly relevant to lead optimization and scaffold elaboration. These results position NEAT-POCKET as a fast, flexible, and practical framework for structure-based drug design.
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All authors Roxane Axel Jacob, Daniel Rose, Thierry Langer, Johannes Kirchmair

Artificial Intelligence

ProCA: Progressive Contrastive Alignment for Robust EEG Visual Decoding

Electroencephalogram (EEG) visual decoding aims to recover visual semantics from non-invasive neural time-series signals, for which robust alignment between noisy neural responses and stable semantic representations is key to achieving high-performance decoding. Despite recent advances in contrastive learning, robust EEG decoding remains challenging because existing methods rely on fixed visual or textual anchors whose semantic relations may become misaligned with EEG representations that vary across trials, subjects, and learning stages. Our empirical evidence shows that this instability appears across both standard EEG decoding protocols and more challenging robustness settings, including strict cross-subject transfer and realistic personalized continual adaptation. We provide a formal analysis showing that fixed semantic supervision can bias optimization when EEG-specific relations evolve, and that structure-agnostic perturbations may distort semantically important EEG components. To address these issues, we propose Progressive Contrastive Alignment (ProCA), a unified and model-agnostic framework for adaptive neural-semantic alignment. ProCA progressively refines class-level contrastive supervision from frozen vision-language priors to EEG-aware semantic relations, and introduces structure-consistent interpolation to constrain feature mixing according to channel-wise and temporal importance. Across subject-dependent, subject-independent, strict cross-subject transfer, and continual adaptation settings, ProCA achieves average relative Top-1/Top-5 gains of 7.4%/3.9%, 10.0%/4.6%, 28.1%/17.8%, and 16.8%/11.6%, respectively.
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All authors Kanglei Zhou, Chunyan Lan, Dongyang Li, Jun Zhu, Liyuan Wang

Artificial Intelligence

LLM-Guided Program Evolution for Circle Packing: Breaking 10 Packomania Records for $28

We present Discovery Loop, a lightweight system that uses a large language model (LLM) to iteratively evolve optimization algorithms. Starting from a simple seed solver, the LLM proposes algorithmic improvements guided by a scoreboard of results and a history of prior ideas. Each candidate is evaluated against an independent verifier; improvements are kept and failures discarded. Applied to the Packomania circle-packing benchmark (csqv: maximize the sum of radii of N variable-radius circles in the unit square), the system improved the best known solutions for 10 values of N in the range 101-114, with gains of 2.4%-5.4% over prior records, all within 15 iterations and at a total LLM cost of $27.72. These results have been independently accepted by Packomania. We describe the method, analyze cost-efficiency dynamics including an adaptive plateau-detection mechanism, and discuss implications for democratizing automated scientific discovery.
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Artificial Intelligence

Constructing and Evaluating Clinical Reasoning Trajectories for Medical Agent

Evaluation of medical artificial intelligence agents remains predominantly answer-centric, assessing only the correctness of final outputs while overlooking the quality of intermediate reasoning. In clinical settings, however, a correct answer reached through fabricated evidence or incoherent logic is as dangerous as an incorrect one. We propose MedTraj, a framework that treats reasoning trajectories as critical objects for construction, evaluation, and optimization. The pipeline generates structured multi-step clinical reasoning chains from medical diagnosis sources. Each trajectory is then parsed into clinical observations, evidence, numbered reasoning steps, and a final conclusion, and scored across five quality dimensions: coherence, evidence support, hallucination, completeness, and traceability. Controlled error injection introduces targeted faults into otherwise correct trajectories to establish causal links between specific reasoning failures and measurable quality degradation. Building on this, step-level filtering based on marginal contribution identifies which individual reasoning steps drive or undermine trajectory quality. Finally, quality-weighted context learning feeds trajectory evaluations back into the model at inference time, allowing it to learn from both strong and weak reasoning demonstrations. Experiments across CareQA, PubMedQA, and CECMed demonstrate that trajectory context consistently improves reasoning coherence, with gains of +0.029 to +0.041 over a zero-shot baseline. On the CECMed severity assessment task, quality-weighted context nearly doubles the correctness over the zero-shot baseline while cutting the hallucination ratio by 87%. Marginal-contribution analysis further shows that a small minority (15.3%) of reasoning steps carry most of the quality signal, and that extending chains beyond four steps yields diminishing returns.
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All authors Yunqi Zhu, Wen Tang, Jinghao Niu, Wensheng Zhang, Xuebing Yang

Artificial Intelligence

Measuring AI Accountability Through Argumentation Analysis: Can Model Reasoning Withstand Scrutiny?

AI oversight methods rely on ground truth for validation, but what constitutes appropriate AI behavior is contested. This leaves evaluation of moral reasoning in LLMs and debate-based oversight implicitly avoiding realistic ambiguity. We investigate an alternative standard designed to function despite such ambiguity: structural quality of the defence a model can mount for its verdicts in response to critical questions, measured through a four-phase dialectical protocol grounded in Walton's theory of argumentation schemes and Govier's criteria for argument cogency. The protocol is adaptive to different frames of reasoning, extends beyond multiple-choice framing, and treats both the reasoning that precedes a verdict and its post-hoc justification. Across nine frontier models and 200 high-ambiguity MoralChoice items – $6,778$ judge-scored cells, validated against $89.6\%$ inter-judge agreement on the binary failure judgment – models defend their reasoning well above the rubric minimum on every dimension. Failure mass concentrates on grounds and sufficiency, and correlates with epistemic hedging rather than argument length. Reasoning is better defended than post-hoc justification, on every model and every Govier dimension. The scheme a model presents in its justification differs from the one it reasoned with on a substantial share of dilemmas ($\geq 20\%$ per model), despite value-based practical reasoning dominating both tracks. The protocol catches strictly indefensible defences (self-contradiction, false premises), and it surfaces difficulties in characterizing the role of retraction in AI alignment, suggesting a need for more situated evaluations.
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Artificial Intelligence

TruthInsightBench: An Evidence-Grounded Benchmark for Automated Evaluation of Open-Ended Scientific Discovery Agents

Autonomous coding agents are increasingly proposed as AI-scientist systems that conduct analyses and write research reports, but executing a prescribed analysis is not the same as making a discovery. Existing benchmarks are configured for reproduction: tasks, data, and rubrics are built around a hidden target study, and recovery of its result is rewarded. We present TruthInsightBench, a benchmark configured for discovery. Its 40 blind tasks, drawn from 40 peer-reviewed studies across 10 scientific domains, expose only a neutral scientific objective and frozen data; source conclusions, expected values, and analysis paths are withheld, leaving the agent to determine what claim the data support. A fixed LLM-based judge scores the evidentiary maturity of an agent's own claims along six dimensions, operationalized as 29 artifact-grounded items, with automated, deterministic aggregation and no per-instance human grading, so evaluation can be repeated automatically as agents evolve. On one frozen base model, four coding agents form a narrow plateau (58.4-60.3 of 100) with no statistically reliable pairwise separation: they execute and document analyses competently, with comparatively strong evidence auditability and novelty, but largely lack the discriminating acts that establish a trustworthy claim (controls, robustness, falsifiability, and cross-dataset generalization). The bottleneck is scientific judgment rather than coding, and genuine discovery remains out of reach. TruthInsightBench makes this gap a measurable target; data and scoring code are at https://github.com/TruthInsight-stack/TruthInsightBench.
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All authors Zhibo Yang, Chen Zhang, Yuewei Zhang, Hao Wang

Artificial Intelligence

MePo++: Unifying Representation Refinement and Reconciliation for General Continual Learning

General continual learning (GCL) aims to learn from evolving data streams without task identities, explicit boundaries, or repeated access to previous data, making it a realistic yet challenging setting for continual intelligence. Although pretrained models (PTMs) provide rich prior knowledge for addressing the limited supervision and non-stationary nature of GCL, existing PTM-based methods often directly adapt pretrained representations and overlook two critical gaps: the misalignment between upstream pretraining and downstream continual adaptation, and the unreliability of conventional output alignment under blurry streams. Here we propose MePo++, a unified post-training framework that bridges pretrained knowledge and downstream GCL through representation refinement and reconciliation. MePo++ introduces two complementary components: MetaPrep, which improves representation plasticity for continual adaptation through unsupervised meta-refinement over pseudo continual sequences; and StreamAlign, which reinforces representation stability by reconciling evolving online features with a stable pretrained geometry. By improving representation learnability before adaptation and preserving alignment during continual learning, MePo++ enables PTMs to remain both plastic for new concepts and stable over evolving streams. Experiments across diverse PTMs, datasets, and continual learning baselines demonstrate the consistent effectiveness and generality of MePo++ for PTM-based GCL. Our code is available at https://github.com/SunGL001/MePo_Plus.
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All authors Guanglong Sun, Kanglei Zhou, Liyuan Wang, Qi Cheng, Hongwei Yan, Shuang Cui, Hang Su, Jun Zhu, Yi Zhong

Artificial Intelligence · Cross-listed from cs.CL

A Structured Debate-Mixture-of-Agents Framework for Complex Clinical Diagnostic Decision Support

Large language models (LLMs) show potential for medical tasks, but their single-turn question-answer format does not reflect how clinical diagnosis is performed in practice. As a result, they remain limited in complex diagnostic settings. We developed Debate-Mixture-of-Agents (DMoA), a novel multi-agent framework that structures role-based interaction to support iterative diagnostic reasoning. Base models and DMoA were evaluated on 297 rare disease cases and 1,719 challenging cases. Across both datasets, DMoA improved most likely diagnosis accuracy by 10.21 percentage points and safety rate by 11.36 percentage points over GPT-4o baseline. Ablation experiments showed that the gains were not simply due to the use of more models or longer outputs, but also reflected the contribution of the structured workflow. Further analyses examined how framework design, base model choice, and token budget affected performance. DMoA performed better with a 4*2 structure, stronger base models, and a larger token budget. These findings demonstrate the potential of DMoA for clinical tasks and suggest further investigation of multi-agent frameworks.
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All authors Chang Xia, Leilei Ouyang, Huimin Wang, Yong Zhao, Kang Li

Artificial Intelligence · Cross-listed from cs.CV

Adaptive Multi-Granularity Temporal Modeling for Weakly Supervised Video Anomaly Detection

As the scale of video surveillance data outpaces manual annotation capacities, weakly supervised video anomaly detection (WSVAD) has emerged as a critical research frontier. Most existing approaches formulate WSVAD within a Multiple Instance Learning (MIL) framework that relies on rigid, hand-crafted temporal priors to supervise anomaly scoring. However, such formulations exhibit limited adaptability to the wide variation in anomaly durations and temporal dynamics observed in real-world videos, often leading to unstable or unreliable snippet-level predictions. To address this limitation, we propose an adaptive temporal modeling framework for WSVAD that explicitly accounts for variations in video dynamics across multiple temporal granularities. First, we introduce a Temporal Refinement Module (TRM) that leverages dynamic positional encoding and a learnable class token to model long-range temporal dependencies while distilling a stable global video-level representation. Second, to capture anomalous events with varying frequency and duration, we develop an adaptive Event Segmentation Module (ESM) that identifies event boundaries through temporal discontinuity analysis and aggregates snippet features into discriminative event-level representations. Finally, for snippet-level and event-level predictions, we propose an adaptive similarity-based fusion strategy that dynamically integrates anomaly scores into video-level predictions, replacing fixed top-k aggregation heuristics with global semantic relevance. Extensive experiments on two benchmarks demonstrate that the proposed framework consistently outperforms state-of-the-art methods.
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Artificial Intelligence · Cross-listed from cs.IR

Beyond Co-purchase Relation: Evolution of Complementary Recommendations at Allegro

When a customer adds a professional camera to their cart, should the system suggest a matching lens, a generic tripod, or another camera body? Complementary Product Recommendation is vital for comprehensive basket building, yet standard models often fail to distinguish between items that are merely bought together and those that truly work together. In this paper, we present AlleCompanion: a production-scale retrieval framework deployed at Allegro.com that transforms noisy behavioural signals into precise semantic compatibility. We mitigate the intrinsic noise in large-scale co-purchase traffic by combining data-level filtering heuristics with a category-constrained Two Tower architecture. Within this framework, the Category Adapter guides the model in the embedding space, constraining candidates within logically complementary boundaries. Since modelling authentic user behaviour at scale is inherently difficult, we introduce ComCat, a multi-source Complementary Categories Mapping. ComCat acts as a translational layer that distils meaningful patterns from noisy traffic into a maintainable and controllable solution, integrating expert rules, human-in-the-loop feedback, LLM-based reasoning, and statistical mining. Our experimental results demonstrate that combining explicit category-level constraints with neural architectures effectively filters out co-purchase noise to surface recommendations that satisfy real-world user needs. Serving over 20 million active users monthly, the framework delivers significant uplifts in attributed GMV for organic discovery and drives substantial revenue growth in sponsored placements.
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All authors Aleksandra Osowska-Kurczab, Klaudia Nazarko, Eliška Kosturová, Lidia Wojciechowska, Michał Bień

Artificial Intelligence

Towards Efficient Evaluation of Evolutionary Transfer Optimization: Case Studies on Task-Parameterized Applications

As evolutionary transfer optimization (ETO) scales to larger collections of related tasks, problem evaluation can become a major source of runtime growth. This work studies problem-side evaluation scaling in task-parameterized applications and reformulates application-specific serial computations into forms suitable for parallel execution. We organize evaluation scaling into two levels: the number of evaluated tasks and the workload within each task. In multi-task optimization, matrix-recursive kinematic-arm evaluation is reformulated using an accumulation-matrix representation of cumulative link directions. In sequential transfer optimization, pointwise B-spline trajectory evaluation is reformulated using a blending-matrix representation for trajectory and collision computations. Both reformulations maintain close numerical agreement with their reference evaluations and substantially reduce runtime, yielding $256.72\times$ and $93.91\times$ end-to-end speedups, respectively. These results demonstrate problem-side reformulation as a practical route toward scalable ETO. Both application implementations and experimental scripts are released as open source to support reproducibility and reuse.
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Artificial Intelligence · Cross-listed from quant-ph

Qlippy: A Retrieval-Augmented GenAI Assistant for Reproducible Quantum Workflows and Experiment Tracking

Quantum software development is iterative and error-prone. Noisy hardware and repeated re-execution make experiment tracking, provenance, and reproducibility essential, yet these practices are hard to adopt because of tooling complexity and the specialized knowledge they demand. General-purpose language models can help but tend to hallucinate and lack grounding in domain-specific tooling. We present Qlippy, a retrieval-augmented GenAI assistant embedded in the development environment that grounds its responses in a curated corpus of quantum-software-engineering knowledge. Qlippy explains reproducibility and provenance concepts in context and augments existing Qiskit programs with MLflow-based experiment tracking aligned to the QProv schema. By separating knowledge from model parameters, grounding gives explicit control over the scope and provenance of the assistant's responses and reduces reliance on model scale, which points toward low-cost, privacy-preserving local deployment.
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