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Going with the Speed of Sound: Pushing Neural Surrogates into Highly-turbulent Transonic Regimes

arXiv.org Artificial Intelligence

The widespread use of neural surrogates in automotive aerodynamics, enabled by datasets such as DrivAerML and DrivAerNet++, has primarily focused on bluff-body flows with large wakes. Extending these methods to aerospace, particularly in the transonic regime, remains challenging due to the high level of non-linearity of compressible flows and 3D effects such as wingtip vortices. Existing aerospace datasets predominantly focus on 2D airfoils, neglecting these critical 3D phenomena. To address this gap, we present a new dataset of CFD simulations for 3D wings in the transonic regime. The dataset comprises volumetric and surface-level fields for around $30,000$ samples with unique geometry and inflow conditions. This allows computation of lift and drag coefficients, providing a foundation for data-driven aerodynamic optimization of the drag-lift Pareto front. We evaluate several state-of-the-art neural surrogates on our dataset, including Transolver and AB-UPT, focusing on their out-of-distribution (OOD) generalization over geometry and inflow variations. AB-UPT demonstrates strong performance for transonic flowfields and reproduces physically consistent drag-lift Pareto fronts even for unseen wing configurations. Our results demonstrate that AB-UPT can approximate drag-lift Pareto fronts for unseen geometries, highlighting its potential as an efficient and effective tool for rapid aerodynamic design exploration. To facilitate future research, we open-source our dataset at https://huggingface.co/datasets/EmmiAI/Emmi-Wing.


DR Tulu: Reinforcement Learning with Evolving Rubrics for Deep Research

arXiv.org Artificial Intelligence

Deep research models perform multi-step research to produce long-form, well-attributed answers. However, most open deep research models are trained on easily verifiable short-form QA tasks via reinforcement learning with verifiable rewards (RLVR), which does not extend to realistic long-form tasks. We address this with Reinforcement Learning with Evolving Rubrics (RLER), in which we construct and maintain rubrics that co-evolve with the policy model during training; this allows the rubrics to incorporate information that the model has newly explored and to provide discriminative, on-policy feedback. Using RLER, we develop Deep Research Tulu (DR Tulu-8B), the first open model that is directly trained for open-ended, long-form deep research. Across four long-form deep research benchmarks in science, healthcare and general domains, DR Tulu substantially outperforms existing open deep research models, and matches or exceeds proprietary deep research systems, while being significantly smaller and cheaper per query. To facilitate future research, we release all data, models, and code, including our new MCP-based agent infrastructure for deep research systems.


Modular, On-Site Solutions with Lightweight Anomaly Detection for Sustainable Nutrient Management in Agriculture

arXiv.org Artificial Intelligence

Efficient nutrient management is critical for crop growth and sustainable resource consumption (e.g., nitrogen, energy). Current approaches require lengthy analyses, preventing real-time optimization; similarly, imaging facilitates rapid phenotyping but can be computationally intensive, preventing deployment under resource constraints. This study proposes a flexible, tiered pipeline for anomaly detection and status estimation (fresh weight, dry mass, and tissue nutrients), including a comprehensive energy analysis of approaches that span the efficiency-accuracy spectrum. Using a nutrient depletion experiment with three treatments (T1-100%, T2-50%, and T3-25% fertilizer strength) and multispectral imaging (MSI), we developed a hierarchical pipeline using an autoencoder (AE) for early warning. Further, we compared two status estimation modules of different complexity for more detailed analysis: vegetation index (VI) features with machine learning (Random Forest, RF) and raw whole-image deep learning (Vision Transformer, ViT). Results demonstrated high-efficiency anomaly detection (73% net detection of T3 samples 9 days after transplanting) at substantially lower energy than embodied energy in wasted nitrogen. The state estimation modules show trade-offs, with ViT outperforming RF on phosphorus and calcium estimation (R2 0.61 vs. 0.58, 0.48 vs. 0.35) at higher energy cost. With our modular pipeline, this work opens opportunities for edge diagnostics and practical opportunities for agricultural sustainability.


Leveraging AI for Productive and Trustworthy HPC Software: Challenges and Research Directions

arXiv.org Artificial Intelligence

We discuss the challenges and propose research directions for using AI to revolutionize the development of high-performance computing (HPC) software. AI technologies, in particular large language models, have transformed every aspect of software development. For its part, HPC software is recognized as a highly specialized scientific field of its own. We discuss the challenges associated with leveraging state-of-the-art AI technologies to develop such a unique and niche class of software and outline our research directions in the two US Department of Energy--funded projects for advancing HPC Software via AI: Ellora and Durban.


SAM Guided Semantic and Motion Changed Region Mining for Remote Sensing Change Captioning

arXiv.org Artificial Intelligence

Remote sensing change captioning is an emerging and popular research task that aims to describe, in natural language, the content of interest that has changed between two remote sensing images captured at different times. Existing methods typically employ CNNs/Transformers to extract visual representations from the given images or incorporate auxiliary tasks to enhance the final results, with weak region awareness and limited temporal alignment. To address these issues, this paper explores the use of the SAM (Segment Anything Model) foundation model to extract region-level representations and inject region-of-interest knowledge into the captioning framework. Specifically, we employ a CNN/Transformer model to extract global-level vision features, leverage the SAM foundation model to delineate semantic- and motion-level change regions, and utilize a specially constructed knowledge graph to provide information about objects of interest. These heterogeneous sources of information are then fused via cross-attention, and a Transformer decoder is used to generate the final natural language description of the observed changes. Extensive experimental results demonstrate that our method achieves state-of-the-art performance across multiple widely used benchmark datasets. The source code of this paper will be released on https://github.com/Event-AHU/SAM_ChangeCaptioning


SUPN: Shallow Universal Polynomial Networks

arXiv.org Artificial Intelligence

Deep neural networks (DNNs) and Kolmogorov-Arnold networks (KANs) are popular methods for function approximation due to their flexibility and expressivity. However, they typically require a large number of trainable parameters to produce a suitable approximation. Beyond making the resulting network less transparent, overparameterization creates a large optimization space, likely producing local minima in training that have quite different generalization errors. In this case, network initialization can have an outsize impact on the model's out-of-sample accuracy. For these reasons, we propose shallow universal polynomial networks (SUPNs). These networks replace all but the last hidden layer with a single layer of polynomials with learnable coefficients, leveraging the strengths of DNNs and polynomials to achieve sufficient expressivity with far fewer parameters. We prove that SUPNs converge at the same rate as the best polynomial approximation of the same degree, and we derive explicit formulas for quasi-optimal SUPN parameters. We complement theory with an extensive suite of numerical experiments involving SUPNs, DNNs, KANs, and polynomial projection in one, two, and ten dimensions, consisting of over 13,000 trained models. On the target functions we numerically studied, for a given number of trainable parameters, the approximation error and variability are often lower for SUPNs than for DNNs and KANs by an order of magnitude. In our examples, SUPNs even outperform polynomial projection on non-smooth functions.


TSGM: Regular and Irregular Time-series Generation using Score-based Generative Models

arXiv.org Artificial Intelligence

Abstract--Score-based generative models (SGMs) have demonstrated unparalleled sampling quality and diversity in numerous fields, such as image generation, voice synthesis, and tabular data synthesis, etc. Inspired by those outstanding results, we apply SGMs to synthesize time-series by learning its conditional score function. T o this end, we present a conditional score network for time-series synthesis, deriving a denoising score matching loss tailored for our purposes. In particular, our presented denoising score matching loss is the conditional denoising score matching loss for time-series synthesis. In addition, our framework is such flexible that both regular and irregular time-series can be synthesized with minimal changes to our model design. Finally, we obtain exceptional synthesis performance on various time-series datasets, achieving state-of-the-art sampling diversity and quality. Time-series frequently occurs in our daily lives, e.g., stock data, climate data, and so on. Especially, time-series forecasting and classification are popular research topics in the field of machine learning [1], [2]. In many cases, however, time-series samples are incomplete and/or the number of samples is insufficient, in which case training machine learning models cannot be fulfilled in a robust way. To overcome the limitation, time-series synthesis has been studied actively recently [3], [4]. These synthesis models have been designed in various ways, including variational autoencoders (V AEs) and generative adversarial networks (GANs) [5]-[7].


Lattice-to-total thermal conductivity ratio: a phonon-glass electron-crystal descriptor for data-driven thermoelectric design

arXiv.org Artificial Intelligence

Thermoelectrics (TEs) are promising candidates for energy harvesting with performance quantified by figure of merit, $ZT$. To accelerate the discovery of high-$ZT$ materials, efforts have focused on identifying compounds with low thermal conductivity $ฮบ$. Using a curated dataset of 71,913 entries, we show that high-$ZT$ materials reside not only in the low-$ฮบ$ regime but also cluster near a lattice-to-total thermal conductivity ratio ($ฮบ_\mathrm{L}/ฮบ$) of approximately 0.5, consistent with the phonon-glass electron-crystal design concept. Building on this insight, we construct a framework consisting of two machine learning models for the lattice and electronic components of thermal conductivity that jointly provide both $ฮบ$ and $ฮบ_\mathrm{L}/ฮบ$ for screening and guiding the optimization of TE materials. Among 104,567 compounds screened, our models identify 2,522 ultralow-$ฮบ$ candidates. Follow-up case studies demonstrate that this framework can reliably provide optimization strategies by suggesting new dopants and alloys that shift pristine materials toward the $ฮบ_\mathrm{L}/ฮบ$ approaching 0.5 regime. Ultimately, by integrating rapid screening with PGEC-guided optimization, our data-driven framework effectively bridges the critical gap between materials discovery and performance enhancement.


OVOD-Agent: A Markov-Bandit Framework for Proactive Visual Reasoning and Self-Evolving Detection

arXiv.org Artificial Intelligence

Open-V ocabulary Object Detection (OVOD) aims to enable detectors to generalize across categories by leveraging semantic information. Although existing methods are pre-trained on large vision-language datasets, their inference is still limited to fixed category names, creating a gap between multimodal training and unimodal inference. Previous work has shown that improving textual representation can significantly enhance OVOD performance, indicating that the textual space is still underexplored. T o this end, we propose OVOD-Agent, which transforms passive category matching into proactive visual reasoning and self-evolving detection. Inspired by the Chain-of-Thought (CoT) paradigm, OVOD-Agent extends the textual optimization process into an interpretable Visual-CoT with explicit actions. OVOD's lightweight nature makes LLM-based management unsuitable; instead, we model visual context transitions as a W eakly Markovian Decision Process (w-MDP) over eight state spaces, which naturally represents the agent's state, memory, and interaction dynamics. A Bandit module generates exploration signals under limited supervision, helping the agent focus on uncertain regions and adapt its detection policy. W e further integrate Markov transition matrices with Bandit trajectories for self-supervised Reward Model (RM) optimization, forming a closed loop from Bandit exploration to RM learning. Experiments on COCO and LVIS show that OVOD-Agent provides consistent improvements across OVOD backbones, particularly on rare categories, confirming the effectiveness of the proposed framework.


Even with AI, Bijection Discovery is Still Hard: The Opportunities and Challenges of OpenEvolve for Novel Bijection Construction

arXiv.org Artificial Intelligence

Evolutionary program synthesis systems such as AlphaEvolve, OpenEvolve, and ShinkaEvolve offer a new approach to AI-assisted mathematical discovery. These systems utilize teams of large language models (LLMs) to generate candidate solutions to a problem as human readable code. These candidate solutions are then 'evolved' with the goal of improving them beyond what an LLM can produce in a single shot. While existing mathematical applications have mostly focused on problems of establishing bounds (e.g., sphere packing), the program synthesis approach is well suited to any problem where the solution takes the form of an explicit construction. With this in mind, in this paper we explore the use of OpenEvolve for combinatorial bijection discovery. We describe the results of applying OpenEvolve to three bijection construction problems involving Dyck paths, two of which are known and one of which is open. We find that while systems like OpenEvolve show promise as a valuable tool for combinatorialists, the problem of finding novel, research-level bijections remains a challenging task for current frontier systems, reinforcing the need for human mathematicians in the loop. We describe some lessons learned for others in the field interested in exploring the use of these systems.