OpenRaiser/Intern-Atlas huggingface dataset:
Projection-based model-order reduction via graph autoencoders suited for unstructured meshes
Venue: arXiv cs.CE 2025
Year: 2025

This paper presents the development of a graph autoencoder architecture capable of performing projection-based model-order reduction (PMOR) using a nonlinear manifold least-squares Petrov-Galerkin (LSPG) projection scheme. The architecture is particularly useful for advection-dominated flows modeled by unstructured meshes, as it provides a robust nonlinear mapping that can be leveraged in a PMOR setting. The presented graph autoencoder is constructed with a two-part process that consists of (1) generating a hierarchy of reduced graphs to emulate the compressive abilities of convolutional neural networks (CNNs) and (2) training a message passing operation at each step in the hierarchy of reduced graphs to emulate the filtering process of a CNN. The resulting framework provides improved flexibility over traditional CNN-based autoencoders because it is readily extendable to unstructured meshes. We provide an analysis of the interpretability of the graph autoencoder's latent state variables, where we find that the Jacobian of the decoder for the proposed graph autoencoder provides interpretable mode shapes akin to traditional proper orthogonal decomposition modes. To highlight the capabilities of the proposed framework, which is named geometric deep least-squares Petrov-Galerkin (GD-LSPG), we benchmark the method on a one-dimensional Burgers' model with a structured mesh and demonstrate the flexibility of GD-LSPG by deploying it on two test cases for two-dimensional Euler equations that use an unstructured mesh. The proposed framework is more flexible than using a traditional CNN-based autoencoder and provides considerable improvement in accuracy for very low-dimensional latent spaces in comparison with traditional affine projections.
Many Perception Tasks are Highly Redundant Functions of their Input Data
Venue: arXiv cs.CV 2025
Year: 2025

We show that many perception tasks, from visual recognition, semantic segmentation, optical flow, depth estimation to vocalization discrimination, are highly redundant functions of their input data. Images or spectrograms, projected into different subspaces, formed by orthogonal bases in pixel, Fourier or wavelet domains, can be used to solve these tasks remarkably well regardless of whether it is the top subspace where data varies the most, some intermediate subspace with moderate variability--or the bottom subspace where data varies the least. This phenomenon occurs because different subspaces have a large degree of redundant information relevant to the task.
Keypoint Aware Masked Image Modelling
Venue: arXiv cs.CV 2025
Year: 2025

SimMIM is a widely used method for pretraining vision transformers using masked image modeling. However, despite its success in fine-tuning performance, it has been shown to perform sub-optimally when used for linear probing. We propose an efficient patch-wise weighting derived from keypoint features which captures the local information and provides better context during SimMIM's reconstruction phase. Our method, KAMIM, improves the top-1 linear probing accuracy from 16.12% to 33.97%, and finetuning accuracy from 76.78% to 77.3% when tested on the ImageNet-1K dataset with a ViT-B when trained for the same number of epochs. We conduct extensive testing on different datasets, keypoint extractors, and model architectures and observe that patch-wise weighting augments linear probing performance for larger pretraining datasets. We also analyze the learned representations of a ViT-B trained using KAMIM and observe that they behave similar to contrastive learning with regard to its behavior, with longer attention distances and homogenous self-attention across layers. Our code is publicly available at https://github.com/madhava20217/KAMIM.
Optimizing Agricultural Order Fulfillment Systems: A Hybrid Tree Search Approach
Venue: arXiv cs.AI 2025
Year: 2025

Efficient order fulfillment is vital in the agricultural industry, particularly due to the seasonal nature of seed supply chains. This paper addresses the challenge of optimizing seed orders fulfillment in a centralized warehouse where orders are processed in waves, taking into account the unpredictable arrival of seed stocks and strict order deadlines. We model the wave scheduling problem as a Markov decision process and propose an adaptive hybrid tree search algorithm that combines Monte Carlo tree search with domain-specific knowledge to efficiently navigate the complex, dynamic environment of seed distribution. By leveraging historical data and stochastic modeling, our method enables forecast-informed scheduling decisions that balance immediate requirements with long-term operational efficiency. The key idea is that we can augment Monte Carlo tree search algorithm with problem-specific side information that dynamically reduces the number of candidate actions at each decision step to handle the large state and action spaces that render traditional solution methods computationally intractable. Extensive simulations with realistic parameters, including a diverse range of products, a high volume of orders, and authentic seasonal durations, demonstrate that the proposed approach significantly outperforms existing industry standard methods.
Forward-Forward Learning achieves Highly Selective Latent Representations for Out-of-Distribution Detection in Fully Spiking Neural Networks
Venue: arXiv cs.LG 2025
Year: 2025

In recent years, Artificial Intelligence (AI) models have achieved remarkable success across various domains, yet challenges persist in two critical areas: ensuring robustness against uncertain inputs and drastically increasing model efficiency during training and inference. Spiking Neural Networks (SNNs), inspired by biological systems, offer a promising avenue for overcoming these limitations. By operating in an event-driven manner, SNNs achieve low energy consumption and can naturally implement biological methods known for their high noise tolerance. In this work, we explore the potential of the spiking Forward-Forward Algorithm (FFA) to address these challenges, leveraging its representational properties for both Out-of-Distribution (OoD) detection and interpretability. To achieve this, we exploit the sparse and highly specialized neural latent space of FF networks to estimate the likelihood of a sample belonging to the training distribution. Additionally, we propose a novel, gradient-free attribution method to detect features that drive a sample away from class distributions, addressing the challenges posed by the lack of gradients in most visual interpretability methods for spiking models. We evaluate our OoD detection algorithm on well-known image datasets (e.g., Omniglot, Not-MNIST, CIFAR10), outperforming previous methods proposed in the recent literature for OoD detection in spiking networks. Furthermore, our attribution method precisely identifies salient OoD features, such as artifacts or missing regions, hence providing a visual explanatory interface for the user to understand why unknown inputs are identified as such by the proposed method.
Obfuscated Location Disclosure for Remote ID Enabled Drones
Venue: arXiv cs.CR 2025
Year: 2025

The Remote ID (RID) regulation recently introduced by several aviation authorities worldwide (including the US and EU) forces commercial drones to regularly (max. every second) broadcast plaintext messages on the wireless channel, providing information about the drone identifier and current location, among others. Although these regulations increase the accountability of drone operations and improve traffic management, they allow malicious users to track drones via the disclosed information, possibly leading to drone capture and severe privacy leaks. In this paper, we propose Obfuscated Location disclOsure for RID-enabled drones (OLO-RID), a solution modifying and extending the RID regulation while preserving drones' location privacy. Rather than disclosing the actual drone's location, drones equipped with OLO-RID disclose a differentially private obfuscated location in a mobile scenario. OLO-RID also extends RID messages with encrypted location information, accessible only by authorized entities and valuable to obtain the current drone's location in safety-critical use cases. We design, implement, and deploy OLO-RID on a Raspberry Pi 3 and release the code of our implementation as open-source. We also perform an extensive performance assessment of the runtime overhead of our solution in terms of processing, communication, memory, and energy consumption. We show that OLO-RID can generate RID messages on a constrained device in less than 0.16 s while also requiring a minimal energy toll on a relevant device (0.0236% of energy for a DJI Mini 2). We also evaluate the utility of the proposed approach in the context of three reference use cases involving the drones' location usage, demonstrating minimal performance degradation when trading off location privacy and utility for next-generation RID-compliant drone ecosystems.
HOTS3D: Hyper-Spherical Optimal Transport for Semantic Alignment of Text-to-3D Generation
Venue: arXiv cs.CV 2025
Year: 2025

Recent CLIP-guided 3D generation methods have achieved promising results but struggle with generating faithful 3D shapes that conform with input text due to the gap between text and image embeddings. To this end, this paper proposes HOTS3D which makes the first attempt to effectively bridge this gap by aligning text features to the image features with spherical optimal transport(SOT). However, in high-dimensional situations, solving the SOT remains a challenge. To obtain the SOT map for high-dimensional features obtained from CLIP encoding of two modalities, we mathematically formulate and derive the solution based on Villani's theorem, which can directly align two hyper-sphere distributions without manifold exponential maps. Furthermore, we implement it by leveraging input convex neural networks (ICNNs) for the optimal Kantorovich potential. With the optimally mapped features, a diffusion-based generator is utilized to decode them into 3D shapes. Extensive quantitative and qualitative comparisons with state-of-the-art methods demonstrate the superiority of HOTS3D for text-to-3D generation, especially in the consistency with text semantics.
Evaluating the Reliability of Self-Explanations in Large Language Models
Venue: arXiv cs.CL 2025
Year: 2025

This paper investigates the reliability of explanations generated by large language models (LLMs) when prompted to explain their previous output. We evaluate two kinds of such self-explanations - extractive and counterfactual - using three state-of-the-art LLMs (2B to 8B parameters) on two different classification tasks (objective and subjective). Our findings reveal, that, while these self-explanations can correlate with human judgement, they do not fully and accurately follow the model's decision process, indicating a gap between perceived and actual model reasoning. We show that this gap can be bridged because prompting LLMs for counterfactual explanations can produce faithful, informative, and easy-to-verify results. These counterfactuals offer a promising alternative to traditional explainability methods (e.g. SHAP, LIME), provided that prompts are tailored to specific tasks and checked for validity.
Risks of ignoring uncertainty propagation in AI-augmented security pipelines
Venue: arXiv cs.SE 2025
Year: 2025

The use of AI technologies is being integrated into the secure development of software-based systems, with an increasing trend of composing AI-based subsystems (with uncertain levels of performance) into automated pipelines. This presents a fundamental research challenge and seriously threatens safety-critical domains. Despite the existing knowledge about uncertainty in risk analysis, no previous work has estimated the uncertainty of AI-augmented systems given the propagation of errors in the pipeline. We provide the formal underpinnings for capturing uncertainty propagation, develop a simulator to quantify uncertainty, and evaluate the simulation of propagating errors with one case study. We discuss the generalizability of our approach and its limitations and present recommendations for evaluation policies concerning AI systems. Future work includes extending the approach by relaxing the remaining assumptions and by experimenting with a real system.
A Tale of Single-channel Electroencephalogram: Devices, Datasets, Signal Processing, Applications, and Future Directions
Venue: arXiv cs.CV 2025
Year: 2025

Single-channel electroencephalogram (EEG) is a cost-effective, comfortable, and non-invasive method for monitoring brain activity, widely adopted by researchers, consumers, and clinicians. The increasing number and proportion of articles on single-channel EEG underscore its growing potential. This paper provides a comprehensive review of single-channel EEG, focusing on development trends, devices, datasets, signal processing methods, recent applications, and future directions. Definitions of bipolar and unipolar configurations in single-channel EEG are clarified to guide future advancements. Applications mainly span sleep staging, emotion recognition, educational research, and clinical diagnosis. Ongoing advancements of single-channel EEG in AI-based EEG generation techniques suggest potential parity or superiority over multichannel EEG performance.
Operationalizing a Threat Model for Red-Teaming Large Language Models (LLMs)
Venue: arXiv cs.CL 2025
Year: 2025

Creating secure and resilient applications with large language models (LLM) requires anticipating, adjusting to, and countering unforeseen threats. Red-teaming has emerged as a critical technique for identifying vulnerabilities in real-world LLM implementations. This paper presents a detailed threat model and provides a systematization of knowledge (SoK) of red-teaming attacks on LLMs. We develop a taxonomy of attacks based on the stages of the LLM development and deployment process and extract various insights from previous research. In addition, we compile methods for defense and practical red-teaming strategies for practitioners. By delineating prominent attack motifs and shedding light on various entry points, this paper provides a framework for improving the security and robustness of LLM-based systems.
Generalization v.s. Memorization: Tracing Language Models' Capabilities Back to Pretraining Data
Venue: arXiv cs.CL 2025
Year: 2025

The impressive capabilities of large language models (LLMs) have sparked debate over whether these models genuinely generalize to unseen tasks or predominantly rely on memorizing vast amounts of pretraining data. To explore this issue, we introduce an extended concept of memorization, distributional memorization, which measures the correlation between the LLM output probabilities and the pretraining data frequency. To effectively capture task-specific pretraining data frequency, we propose a novel task-gram language model, which is built by counting the co-occurrence of semantically related $n$-gram pairs from task inputs and outputs in the pretraining corpus. Using the Pythia models trained on the Pile dataset, we evaluate four distinct tasks: machine translation, factual question answering, world knowledge understanding, and math reasoning. Our findings reveal varying levels of memorization, with the strongest effect observed in factual question answering. Furthermore, while model performance improves across all tasks as LLM size increases, only factual question answering shows an increase in memorization, whereas machine translation and reasoning tasks exhibit greater generalization, producing more novel outputs. This study demonstrates that memorization plays a larger role in simpler, knowledge-intensive tasks, while generalization is the key for harder, reasoning-based tasks, providing a scalable method for analyzing large pretraining corpora in greater depth.
Text-Augmented Multimodal LLMs for Chemical Reaction Condition Recommendation
Venue: arXiv cs.AI 2025
Year: 2025

Identifying reaction conditions that are broadly applicable across diverse substrates is a longstanding challenge in chemical and pharmaceutical research. While many methods are available to generate conditions with acceptable performance, a universal approach for reliably discovering effective conditions during reaction exploration is rare. Consequently, current reaction optimization processes are often labor-intensive, time-consuming, and costly, relying heavily on trial-and-error experimentation. Nowadays, large language models (LLMs) are capable of tackling chemistry-related problems, such as molecule design and chemical reasoning tasks. Here, we report the design, implementation and application of Chemma-RC, a text-augmented multimodal LLM to identify effective conditions through task-specific dialogue and condition generation. Chemma-RC learns a unified representation of chemical reactions by aligning multiple modalities-including text corpus, reaction SMILES, and reaction graphs-within a shared embedding module. Performance benchmarking on datasets showed high precision in identifying optimal conditions, with up to 17% improvement over the current state-of-the-art methods. A palladium-catalysed imidazole C-H arylation reaction was investigated experimentally to evaluate the functionalities of the Chemma-RC in practice. Our findings suggest that Chemma-RC holds significant potential to accelerate high-throughput condition screening in chemical synthesis.
Error Detection and Constraint Recovery in Hierarchical Multi-Label Classification without Prior Knowledge
Venue: arXiv cs.LG 2025
Year: 2025

Recent advances in Hierarchical Multi-label Classification (HMC), particularly neurosymbolic-based approaches, have demonstrated improved consistency and accuracy by enforcing constraints on a neural model during training. However, such work assumes the existence of such constraints a-priori. In this paper, we relax this strong assumption and present an approach based on Error Detection Rules (EDR) that allow for learning explainable rules about the failure modes of machine learning models. We show that these rules are not only effective in detecting when a machine learning classifier has made an error but also can be leveraged as constraints for HMC, thereby allowing the recovery of explainable constraints even if they are not provided. We show that our approach is effective in detecting machine learning errors and recovering constraints, is noise tolerant, and can function as a source of knowledge for neurosymbolic models on multiple datasets, including a newly introduced military vehicle recognition dataset.
Planning in a recurrent neural network that plays Sokoban
Venue: arXiv cs.LG 2025
Year: 2025

Planning is essential for solving complex tasks, yet the internal mechanisms underlying planning in neural networks remain poorly understood. Building on prior work, we analyze a recurrent neural network (RNN) trained on Sokoban, a challenging puzzle requiring sequential, irreversible decisions. We find that the RNN has a causal plan representation which predicts its future actions about 50 steps in advance. The quality and length of the represented plan increases over the first few steps. We uncover a surprising behavior: the RNN "paces" in cycles to give itself extra computation at the start of a level, and show that this behavior is incentivized by training. Leveraging these insights, we extend the trained RNN to significantly larger, out-of-distribution Sokoban puzzles, demonstrating robust representations beyond the training regime. We open-source our model and code, and believe the neural network's interesting behavior makes it an excellent model organism to deepen our understanding of learned planning.
Latent Adversarial Training Improves Robustness to Persistent Harmful Behaviors in LLMs
Venue: arXiv cs.LG 2025
Year: 2025

Large language models (LLMs) can often be made to behave in undesirable ways that they are explicitly fine-tuned not to. For example, the LLM red-teaming literature has produced a wide variety of 'jailbreaking' techniques to elicit harmful text from models that were fine-tuned to be harmless. Recent work on red-teaming, model editing, and interpretability suggests that this challenge stems from how (adversarial) fine-tuning largely serves to suppress rather than remove undesirable capabilities from LLMs. Prior work has introduced latent adversarial training (LAT) as a way to improve robustness to broad classes of failures. These prior works have considered untargeted latent space attacks where the adversary perturbs latent activations to maximize loss on examples of desirable behavior. Untargeted LAT can provide a generic type of robustness but does not leverage information about specific failure modes. Here, we experiment with targeted LAT where the adversary seeks to minimize loss on a specific competing task. We find that it can augment a wide variety of state-of-the-art methods. First, we use targeted LAT to improve robustness to jailbreaks, outperforming a strong R2D2 baseline with orders of magnitude less compute. Second, we use it to more effectively remove backdoors with no knowledge of the trigger. Finally, we use it to more effectively unlearn knowledge for specific undesirable tasks in a way that is also more robust to re-learning. Overall, our results suggest that targeted LAT can be an effective tool for defending against harmful behaviors from LLMs.
Cache-Aided MIMO Communications: DoF Analysis and Transmitter Optimization
Venue: arXiv cs.IT 2025
Year: 2025

Cache-aided MIMO communications aims to jointly exploit both coded caching~(CC) and spatial multiplexing gains to enhance communication efficiency. In this paper, we analyze both the achievable degrees of freedom~(DoF) under linear processing constraint and the finite-SNR performance of a MIMO-CC system with CC gain \(t\), where a server with \(L\) transmit antennas communicates with \(K\) users, each equipped with \(G\) receive antennas. We first demonstrate that the enhanced DoF of \(\max_{β, Ω} Ω\times β\) is achievable with linear processing, where the number of users \(Ω\) served in each transmission is fine-tuned to maximize DoF, and \(β\le \min\big(G, \nicefrac{L \binom{Ω-1}{t}}{\big(1 + (Ω- t - 1)\binom{Ω-1}{t}}\big)\big)\) represents the number of parallel streams decoded by each user. Then, we propose a new class of MIMO-CC schemes using a novel scheduling mechanism leveraging maximal multicasting opportunities to maximize delivery rates at given SNR levels while still adhering to linear processing constraints. This new class of schemes is paired with an efficient linear multicast beamformer design, resulting in a more practical, high-performance solution for integrating CC in future MIMO systems.
Health-promoting Potential of Parks in 35 Cities Worldwide
Venue: arXiv cs.CY 2025
Year: 2025

Urban parks are important for public health, but the role of specific spaces, such as playgrounds or lakes, and elements, such as benches or sports equipment, in supporting well-being is not well understood. Based on expert input and a review of the literature, we defined six types of health-related activities: physical, mindfulness, nature appreciation, environmental, social, and cultural. We built a lexicon that links each activity to specific elements and spaces within parks present in OpenStreetMap. Using this data, we scored 23,477 parks across 35 cities worldwide based on their ability to support these activities. We found clear patterns: parks in North America focus more on physical activity, while those in Europe offer more chances to enjoy nature. Parks near city centers support health-promoting activities better than those farther out. Suburban parks in many cities lack the spaces and equipment needed for nature-based, social, and cultural activities. We also found large gaps in park quality between cities. Tokyo and Paris provide more equal access, while Copenhagen and Rio de Janeiro show sharp contrasts. These results can help cities create fairer parks that better support public health.