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 Deep Learning


From Next Token Prediction to (STRIPS) World Models -- Preliminary Results

arXiv.org Artificial Intelligence

We consider the problem of learning propositional STRIPS world models from action traces alone, using a deep learning architecture (transformers) and gradient descent. The task is cast as a supervised next token prediction problem where the tokens are the actions, and an action $a$ may follow an action sequence if the hidden effects of the previous actions do not make an action precondition of $a$ false. We show that a suitable transformer architecture can faithfully represent propositional STRIPS world models, and that the models can be learned from sets of random valid (positive) and invalid (negative) action sequences alone. A number of experiments are reported.


A Scoping Review of Machine Learning Applications in Power System Protection and Disturbance Management

arXiv.org Artificial Intelligence

The integration of renewable and distributed energy resources reshapes modern power systems, challenging conventional protection schemes. This scoping review synthesizes recent literature on machine learning (ML) applications in power system protection and disturbance management, following the PRISMA for Scoping Reviews framework. Based on over 100 publications, three key objectives are addressed: (i) assessing the scope of ML research in protection tasks; (ii) evaluating ML performance across diverse operational scenarios; and (iii) identifying methods suitable for evolving grid conditions. ML models often demonstrate high accuracy on simulated datasets; however, their performance under real-world conditions remains insufficiently validated. The existing literature is fragmented, with inconsistencies in methodological rigor, dataset quality, and evaluation metrics. This lack of standardization hampers the comparability of results and limits the generalizability of findings. To address these challenges, this review introduces a ML-oriented taxonomy for protection tasks, resolves key terminological inconsistencies, and advocates for standardized reporting practices. It further provides guidelines for comprehensive dataset documentation, methodological transparency, and consistent evaluation protocols, aiming to improve reproducibility and enhance the practical relevance of research outcomes. Critical gaps remain, including the scarcity of real-world validation, insufficient robustness testing, and limited consideration of deployment feasibility. Future research should prioritize public benchmark datasets, realistic validation methods, and advanced ML architectures. These steps are essential to move ML-based protection from theoretical promise to practical deployment in increasingly dynamic and decentralized power systems.


Supervised In-Context Fine-Tuning for Generative Sequence Labeling

arXiv.org Artificial Intelligence

Sequence labeling (SL) tasks, where labels are assigned to tokens, are abundant in NLP (e.g., named entity recognition and aspect-based sentiment analysis). Owing to the intuition that they require bidirectional context, SL tasks are commonly tackled with encoder-only models. Recent work also shows that removing the causal mask in fine-tuning enables decoder-based LLMs to become effective token classifiers. Less work, however, focused on (supervised) generative SL, a more natural setting for causal LLMs. Due to their rapid scaling, causal LLMs applied to SL are expected to outperform encoders, whose own development has stagnated. In this work, we propose supervised in-context fine-tuning (SIFT) for generative SL. SIFT casts SL tasks as constrained response generation, natural to LLMs, combining in-context learning (ICL) from demonstrations with supervised fine-tuning. SIFT considerably outperforms both ICL and decoder-as-encoder fine-tuning baselines on a range of standard SL tasks. We further find that although long context hinders the performance of generative SL in both ICL and SIFT, this deficiency can be mitigated by removing the instruction, as instructions are shown to be largely unnecessary for achieving strong SL performance with SIFT. Our findings highlight strengths and limitations of SL with LLMs, underscoring the importance of a response-based generative task formulation for effective SL performance.


Limitations of Normalization in Attention Mechanism

arXiv.org Artificial Intelligence

This paper investigates the limitations of the normalization in attention mechanisms. We begin with a theoretical framework that enables the identification of the model's selective ability and the geometric separation involved in token selection. Our analysis includes explicit bounds on distances and separation criteria for token vectors under softmax scaling. Through experiments with pre-trained GPT-2 model, we empirically validate our theoretical results and analyze key behaviors of the attention mechanism. Notably, we demonstrate that as the number of selected tokens increases, the model's ability to distinguish informative tokens declines, often converging toward a uniform selection pattern. We also show that gradient sensitivity under softmax normalization presents challenges during training, especially at low temperature settings. These findings advance current understanding of softmax-based attention mechanism and motivate the need for more robust normalization and selection strategies in future attention architectures.


From AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery

arXiv.org Artificial Intelligence

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm, where AI systems progress from partial assistance to full scientific agency. Enabled by large language models (LLMs), multimodal systems, and integrated research platforms, agentic AI shows capabilities in hypothesis generation, experimental design, execution, analysis, and iterative refinement -- behaviors once regarded as uniquely human. This survey provides a domain-oriented review of autonomous scientific discovery across life sciences, chemistry, materials science, and physics. We unify three previously fragmented perspectives -- process-oriented, autonomy-oriented, and mechanism-oriented -- through a comprehensive framework that connects foundational capabilities, core processes, and domain-specific realizations. Building on this framework, we (i) trace the evolution of AI for Science, (ii) identify five core capabilities underpinning scientific agency, (iii) model discovery as a dynamic four-stage workflow, (iv) review applications across the above domains, and (v) synthesize key challenges and future opportunities. This work establishes a domain-oriented synthesis of autonomous scientific discovery and positions Agentic Science as a structured paradigm for advancing AI-driven research.


Wavy Transformer

arXiv.org Artificial Intelligence

Transformers have achieved remarkable success across natural language processing (NLP) and computer vision (CV). However, deep transformer models often suffer from an over-smoothing issue, in which token representations converge to similar values as they pass through successive transformer blocks. In this paper, we establish an equivalence between the hidden-state dynamics induced by stacked attention layers and graph neural diffusion on a complete graph. From this perspective, over-smoothing can be interpreted as a consequence of the dissipative nature of the underlying diffusion dynamics. Motivated by this physical interpretation, we propose Wavy Transformer, which consists of a novel attention layer based on second-order wavy dynamics. We also introduce a feed-forward network and a normalization layer designed to preserve the physical state-velocity relationship under the chain rule, thereby extending the transformer architecture. We further validate our proposed techniques on various transformer models for NLP and CV tasks. The results consistently demonstrate that Wavy Transformer improves performance with minimal additional parameters and no extra hyperparameter tuning.


VimoRAG: Video-based Retrieval-augmented 3D Motion Generation for Motion Language Models

arXiv.org Artificial Intelligence

This paper introduces VimoRAG, a novel video-based retrieval-augmented motion generation framework for motion large language models (LLMs). As motion LLMs face severe out-of-domain/out-of-vocabulary issues due to limited annotated data, VimoRAG leverages large-scale in-the-wild video databases to enhance 3D motion generation by retrieving relevant 2D human motion signals. While video-based motion RAG is nontrivial, we address two key bottlenecks: (1) developing an effective motion-centered video retrieval model that distinguishes human poses and actions, and (2) mitigating the issue of error propagation caused by suboptimal retrieval results. We design the Gemini Motion Video Retriever mechanism and the Motion-centric Dual-alignment DPO Trainer, enabling effective retrieval and generation processes. Experimental results show that VimoRAG significantly boosts the performance of motion LLMs constrained to text-only input. All the resources are available at https://walkermitty.github.io/VimoRAG/


CAPO: Towards Enhancing LLM Reasoning through Generative Credit Assignment

arXiv.org Artificial Intelligence

Reinforcement Learning with Verifiable Rewards (RLVR) has improved the reasoning abilities of Large Language Models (LLMs) by using rule-based binary feedback. However, current RLVR methods typically assign the same reward to every token. This coarse-grained feedback hampers precise credit assignment, making it hard for models to identify which reasoning steps lead to success or failure, and often results in suboptimal policies. Methods like PPO provide credit assignment by value estimation, but yield inaccurate and unverifiable signals due to limited sampling. On the other hand, methods using Process Reward Models can provide step-wise rewards but suffer from several key limitations: they require high-quality process supervision labels, the feedback is unreliable due to probabilistic reward modeling, and their application in online reinforcement learning (RL) is time-consuming. To overcome these limitations, we introduce a simple but efficient method-Credit Assignment Policy Optimization (CAPO). Instead of training auxiliary models, CAPO directly leverages an off-the-shelf, general-purpose LLM as a Generative Process Reward Model (LLM-as-GenPRM) to generate all step-wise critique by one pass only based on the correctness of the step itself, providing deterministic token-level credits to refine the tokens that were originally assigned identical rule-based rewards. To further enhance the accuracy and robustness, we employ voting mechanisms that scale with the number of generated critiques. Extensive experiments on various backbones like Llama and Qwen models show that CAPO consistently outperforms supervised learning-based and RL-based fine-tuning methods across four challenging mathematical benchmarks and three out-of-domain benchmarks. Further analysis shows that CAPO can help the model to foster the learning of correct reasoning pathways leading to correct answers.


Watch the Weights: Unsupervised monitoring and control of fine-tuned LLMs

arXiv.org Artificial Intelligence

The releases of powerful open-weight large language models (LLMs) are often not accompanied by access to their full training data. Existing interpretability methods, particularly those based on activations, often require or assume distributionally similar data. This is a significant limitation when detecting and defending against novel potential threats like backdoors, which are by definition out-of-distribution. In this work, we introduce a new method for understanding, monitoring and controlling fine-tuned LLMs that interprets weights, rather than activations, thereby side stepping the need for data that is distributionally similar to the unknown training data. We demonstrate that the top singular vectors of the weight difference between a fine-tuned model and its base model correspond to newly acquired behaviors. By monitoring the cosine similarity of activations along these directions, we can detect salient behaviors introduced during fine-tuning with high precision. For backdoored models that bypasses safety mechanisms when a secret trigger is present, our method stops up to 100% of attacks with a false positive rate below 1.2%. For models that have undergone unlearning, we detect inference on erased topics with accuracy up to 95.42% and can even steer the model to recover "unlearned" information. Besides monitoring, our method also shows potential for pre-deployment model auditing: by analyzing commercial instruction-tuned models (OLMo, Llama, Qwen), we are able to uncover model-specific fine-tuning focus including marketing strategies and Midjourney prompt generation. Our implementation can be found at https://github.com/fjzzq2002/WeightWatch.


SketchMind: A Multi-Agent Cognitive Framework for Assessing Student-Drawn Scientific Sketches

arXiv.org Artificial Intelligence

Scientific sketches (e.g., models) offer a powerful lens into students' conceptual understanding, yet AI-powered automated assessment of such free-form, visually diverse artifacts remains a critical challenge. Existing solutions often treat sketch evaluation as either an image classification task or monolithic vision-language models, which lack interpretability, pedagogical alignment, and adaptability across cognitive levels. To address these limitations, we present SketchMind, a cognitively grounded, multi-agent framework for evaluating and improving student-drawn scientific sketches. SketchMind comprises modular agents responsible for rubric parsing, sketch perception, cognitive alignment, and iterative feedback with sketch modification, enabling personalized and transparent evaluation. We evaluate SketchMind on a curated dataset of 3,575 student-generated sketches across six science assessment items with different highest order of Bloom's level that require students to draw models to explain phenomena. Compared to baseline GPT-4o performance without SRG (average accuracy: 55.6%), and with SRG integration achieves 77.1% average accuracy (+21.4% average absolute gain). We also demonstrate that multi-agent orchestration with SRG enhances SketchMind performance, for example, GPT-4.1 gains an average 8.9% increase in sketch prediction accuracy, outperforming single-agent pipelines across all items. Human evaluators rated the feedback and co-created sketches generated by \textsc{SketchMind} with GPT-4.1, which achieved an average of 4.1 out of 5, significantly higher than those of baseline models (e.g., 2.3 for GPT-4o). Experts noted the system's potential to meaningfully support conceptual growth through guided revision. Our code and (pending approval) dataset will be released to support reproducibility and future research in AI-driven education.