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 Deep Learning


Ensembles of Neural Surrogates for Parametric Sensitivity in Ocean Modeling

arXiv.org Artificial Intelligence

Accurate simulations of the oceans are crucial in understanding the Earth system. Despite their efficiency, simulations at lower resolutions must rely on various uncertain parameterizations to account for unresolved processes. However, model sensitivity to parameterizations is difficult to quantify, making it challenging to tune these parameterizations to reproduce observations. Deep learning surrogates have shown promise for efficient computation of the parametric sensitivities in the form of partial derivatives, but their reliability is difficult to evaluate without ground truth derivatives. In this work, we leverage large-scale hyperparameter search and ensemble learning to improve both forward predictions, autoregressive rollout, and backward adjoint sensitivity estimation. Particularly, the ensemble method provides epistemic uncertainty of function value predictions and their derivatives, providing improved reliability of the neural surrogates in decision making.


Cohort-Aware Agents for Individualized Lung Cancer Risk Prediction Using a Retrieval-Augmented Model Selection Framework

arXiv.org Artificial Intelligence

Accurate lung cancer risk prediction remains challenging due to substantial variability across patient populations and clinical settings -- no single model performs best for all cohorts. To address this, we propose a personalized lung cancer risk prediction agent that dynamically selects the most appropriate model for each patient by combining cohort-specific knowledge with modern retrieval and reasoning techniques. Given a patient's CT scan and structured metadata -- including demographic, clinical, and nodule-level features -- the agent first performs cohort retrieval using FAISS-based similarity search across nine diverse real-world cohorts to identify the most relevant patient population from a multi-institutional database. Second, a Large Language Model (LLM) is prompted with the retrieved cohort and its associated performance metrics to recommend the optimal prediction algorithm from a pool of eight representative models, including classical linear risk models (e.g., Mayo, Brock), temporally-aware models (e.g., TD-VIT, DLSTM), and multi-modal computer vision-based approaches (e.g., Liao, Sybil, DLS, DLI). This two-stage agent pipeline -- retrieval via FAISS and reasoning via LLM -- enables dynamic, cohort-aware risk prediction personalized to each patient's profile. Building on this architecture, the agent supports flexible and cohort-driven model selection across diverse clinical populations, offering a practical path toward individualized risk assessment in real-world lung cancer screening.


Structured Agentic Workflows for Financial Time-Series Modeling with LLMs and Reflective Feedback

arXiv.org Artificial Intelligence

Time-series data is central to decision-making in financial markets, yet building high-performing, interpretable, and auditable models remains a major challenge. While Automated Machine Learning (AutoML) frameworks streamline model development, they often lack adaptability and responsiveness to domain-specific needs and evolving objectives. Concurrently, Large Language Models (LLMs) have enabled agentic systems capable of reasoning, memory management, and dynamic code generation, offering a path toward more flexible workflow automation. In this paper, we introduce \textsf{TS-Agent}, a modular agentic framework designed to automate and enhance time-series modeling workflows for financial applications. The agent formalizes the pipeline as a structured, iterative decision process across three stages: model selection, code refinement, and fine-tuning, guided by contextual reasoning and experimental feedback. Central to our architecture is a planner agent equipped with structured knowledge banks, curated libraries of models and refinement strategies, which guide exploration, while improving interpretability and reducing error propagation. \textsf{TS-Agent} supports adaptive learning, robust debugging, and transparent auditing, key requirements for high-stakes environments such as financial services. Empirical evaluations on diverse financial forecasting and synthetic data generation tasks demonstrate that \textsf{TS-Agent} consistently outperforms state-of-the-art AutoML and agentic baselines, achieving superior accuracy, robustness, and decision traceability.


LNN-PINN: A Unified Physics-Only Training Framework with Liquid Residual Blocks

arXiv.org Artificial Intelligence

Physics-informed neural networks (PINNs) have attracted considerable attention for their ability to integrate partial differential equation priors into deep learning frameworks; however, they often exhibit limited predictive accuracy when applied to complex problems. To address this issue, we propose LNN-PINN, a physics-informed neural network framework that incorporates a liquid residual gating architecture while preserving the original physics modeling and optimization pipeline to improve predictive accuracy. The method introduces a lightweight gating mechanism solely within the hidden-layer mapping, keeping the sampling strategy, loss composition, and hyperparameter settings unchanged to ensure that improvements arise purely from architectural refinement. Across four benchmark problems, LNN-PINN consistently reduced RMSE and MAE under identical training conditions, with absolute error plots further confirming its accuracy gains. Moreover, the framework demonstrates strong adaptability and stability across varying dimensions, boundary conditions, and operator characteristics. In summary, LNN-PINN offers a concise and effective architectural enhancement for improving the predictive accuracy of physics-informed neural networks in complex scientific and engineering problems.


Cyber-Zero: Training Cybersecurity Agents without Runtime

arXiv.org Artificial Intelligence

Large Language Models (LLMs) have achieved remarkable success in software engineering tasks when trained with executable runtime environments, particularly in resolving GitHub issues. However, such runtime environments are often unavailable in other domains, especially cybersecurity, where challenge configurations and execution contexts are ephemeral or restricted. We present Cyber-Zero, the first runtime-free framework for synthesizing high-quality agent trajectories to train cybersecurity LLMs. Cyber-Zero leverages publicly available CTF writeups and employs persona-driven LLM simulation to reverse-engineer runtime behaviors and generate realistic, long-horizon interaction sequences without actual environments. Using trajectories synthesized by Cyber-Zero, we train LLM-based agents that achieve up to 13.1% absolute performance gains over baseline models on three prominent CTF benchmarks: InterCode-CTF, NYU CTF Bench, and Cybench. Our best model, Cyber-Zero-32B, establishes new state-of-the-art performance among open-weight models, matching the capabilities of proprietary systems like DeepSeek-V3-0324 and Claude-3.5-Sonnet while offering superior cost-effectiveness, and demonstrating that runtime-free trajectory synthesis can effectively democratize the development of state-of-the-art cybersecurity agents.


Table Understanding and (Multimodal) LLMs: A Cross-Domain Case Study on Scientific vs. Non-Scientific Data

arXiv.org Artificial Intelligence

Tables are among the most widely used tools for representing structured data in research, business, medicine, and education. Although LLMs demonstrate strong performance in downstream tasks, their efficiency in processing tabular data remains underexplored. In this paper, we investigate the effectiveness of both text-based and multimodal LLMs on table understanding tasks through a cross-domain and cross-modality evaluation. Specifically, we compare their performance on tables from scientific vs. non-scientific contexts and examine their robustness on tables represented as images vs. text. Additionally, we conduct an interpretability analysis to measure context usage and input relevance. We also introduce the TableEval benchmark, comprising 3017 tables from scholarly publications, Wikipedia, and financial reports, where each table is provided in five different formats: Image, Dictionary, HTML, XML, and LaTeX. Our findings indicate that while LLMs maintain robustness across table modalities, they face significant challenges when processing scientific tables.


Evaluating Scoring Bias in LLM-as-a-Judge

arXiv.org Artificial Intelligence

The remarkable performance of Large Language Models (LLMs) gives rise to``LLM-as-a-Judge'', where LLMs are employed as evaluators for complex tasks. Moreover, it has been widely adopted across fields such as Natural Language Processing (NLP), preference learning, and various specific domains. However, there are various biases within LLM-as-a-Judge, which adversely affect the fairness and reliability of judgments. Current research on evaluating or mitigating bias in LLM-as-a-Judge predominantly focuses on comparison-based evaluations, while systematic investigations into bias in scoring-based evaluations remain limited. Therefore, we define scoring bias in LLM-as-a-Judge as the scores differ when scoring judge models are bias-related perturbed, and provide a well-designed framework to comprehensively evaluate scoring bias. We augment existing LLM-as-a-Judge benchmarks through data synthesis to construct our evaluation dataset and design multi-faceted evaluation metrics. Our experimental results demonstrate that the scoring stability of existing judge models is disrupted by scoring biases. Further exploratory experiments and discussions provide valuable insights into the design of scoring prompt templates and the mitigation of scoring biases on aspects such as score rubrics, score IDs, and reference answer selection.


UAD: Unsupervised Affordance Distillation for Generalization in Robotic Manipulation

arXiv.org Artificial Intelligence

Figure 1: Unsupervised Affordance Distillation (UAD) extracts affordance annotations from large pre-trained models and distills them into a task-conditioned affordance model, which is capable of predicting fine-grained affordance in open-world scenes with open-ended instructions, enabling diverse generalization properties in downstream policy learning. Abstract -- Understanding fine-grained object affordances is imperative for robots to manipulate objects in unstructured environments given open-ended task instructions. However, existing methods of visual affordance predictions often rely on manually annotated data or conditions only on a predefined set of tasks. We introduce Unsupervised Affordance Distillation (UAD), a method for distilling affordance knowledge from foundation models into a task-conditioned affordance model without any manual annotations . Training only a lightweight task-conditioned decoder atop frozen features, UAD exhibits notable generalization to in-the-wild robotic scenes and to various human activities, despite only being trained on rendered objects in simulation. Using affordance provided by UAD as the observation space, we show an imitation learning policy that demonstrates promising generalization to unseen object instances, object categories, and even variations in task instructions after training on as few as 10 demonstrations. Understanding the affordances of objects underpins a robot's capability to perform purposeful interactions in unstructured environments [1-3]. Given an open-ended task instruction specified in natural language, a robot must first identify the action possibilities afforded by the environment based on its visual perception. In particular, this understanding should extend beyond objects or object parts to encompass fine-grained details down to the level of pixels. While learning visual affordances from manually annotated datasets with closed vocabulary has been extensively explored in the literature [4-9], scaling affordance learning to open-world scenarios conditioned on free-form task instructions remains a long-standing challenge. Vision-language models (VLMs) have demonstrated the ability to internalize world knowledge by pretraining on large-scale image-text datasets [10, 11]. Recent works also suggest that they encode affordance knowledge in the language space [12] (e.g., "handle should be grasped for opening drawers"). However, the effective grounding of this knowledge in the continuous spatial domain remains an open question. In contrast, self-supervised vision models [13, 14] provide general-purpose pixel-level features that capture low-level structures of objects.


mRAG: Elucidating the Design Space of Multi-modal Retrieval-Augmented Generation

arXiv.org Artificial Intelligence

Large Vision-Language Models (LVLMs) have made remarkable strides in multimodal tasks such as visual question answering, visual grounding, and complex reasoning. However, they remain limited by static training data, susceptibility to hallucinations, and inability to verify claims against up-to-date, external evidence, compromising their performance in dynamic real-world applications. Retrieval-Augmented Generation (RAG) offers a practical solution to mitigate these challenges by allowing the LVLMs to access large-scale knowledge databases via retrieval mechanisms, thereby grounding model outputs in factual, contextually relevant information. Here in this paper, we conduct the first systematic dissection of the multimodal RAG pipeline for LVLMs, explicitly investigating (1) the retrieval phase: on the modality configurations and retrieval strategies, (2) the re-ranking stage: on strategies to mitigate positional biases and improve the relevance of retrieved evidence, and (3) the generation phase: we further investigate how to best integrate retrieved candidates into the final generation process. Finally, we extend to explore a unified agentic framework that integrates re-ranking and generation through self-reflection, enabling LVLMs to select relevant evidence and suppress irrelevant context dynamically. Our full-stack exploration of RAG for LVLMs yields substantial insights, resulting in an average performance boost of 5% without any fine-tuning.


Revisiting SSL for sound event detection: complementary fusion and adaptive post-processing

arXiv.org Artificial Intelligence

Self-supervised learning (SSL) models offer powerful representations for sound event detection (SED), yet their synergistic potential remains underexplored. This study systematically evaluates state-of-the-art SSL models to guide optimal model selection and integration for SED. We propose a framework that combines heterogeneous SSL representations (e.g., BEATs, HuBERT, WavLM) through three fusion strategies: individual SSL embedding integration, dual-modal fusion, and full aggregation. Experiments on the DCASE 2023 Task 4 Challenge reveal that dual-modal fusion (e.g., CRNN+BEATs+WavLM) achieves complementary performance gains, while CRNN+BEATs alone delivers the best results among individual SSL models. We further introduce normalized sound event bounding boxes (nSEBBs), an adaptive post-processing method that dynamically adjusts event boundary predictions, improving PSDS1 by up to 4% for standalone SSL models. These findings highlight the compatibility and complementarity of SSL architectures, providing guidance for task-specific fusion and robust SED system design.