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Head Pursuit: Probing Attention Specialization in Multimodal Transformers

Neural Information Processing Systems

Language and vision-language models have shown impressive performance across a wide range of tasks, but their internal mechanisms remain only partly understood. In this work, we study how individual attention heads in text-generative models specialize in specific semantic or visual attributes. Building on an established interpretability method, we reinterpret the practice of probing intermediate activations with the final decoding layer through the lens of signal processing. This lets us analyze multiple samples in a principled way and rank attention heads based on their relevance to target concepts. Our results show consistent patterns of specialization at the head level across both unimodal and multimodal transformers. Remarkably, we find that editing as few as 1% of the heads, selected using our method, can reliably suppress or enhance targeted concepts in the model output.


SPACR: Single-Pass Adaptive Training of Uncertainty-Aware Conformal Regressors

arXiv.org Machine Learning

Conformal Prediction (CP) provides robust uncertainty guarantees for predictive models, but is typically applied post hoc, which misaligns model training with the conformal goal of producing efficient (i.e, narrow) intervals. We propose SPACR (Single-Pass Adaptive Conformal Regressor), a novel method for directly training uncertainty-aware regressors within a differentiable loss. SPACR jointly optimizes efficiency and validity without batch-splitting or a predefined confidence levels during training. As a result, a single SPACR model yields valid prediction intervals at multiple confidence levels during inference, avoiding the costly retraining required by methods like DOICR. Experiments on diverse datasets show that SPACR consistently gives tighter intervals and better coverage-efficiency trade-offs compared to standard CP and DOICR, while significantly reducing computational costs.


Fitts' List Revisited: An Empirical Study on Function Allocation in a Two-Agent Physical Human-Robot Collaborative Position/Force Task

arXiv.org Artificial Intelligence

Abstract--In this letter, we investigate whether classical function allocation--the principle of assigning tasks to either a human or a machine--holds for physical Human-Robot Collaboration, which is important for providing insights for Industry 5.0 to guide how to best augment rather than replace workers. This study empirically tests the applicability of Fitts' List within physical Human-Robot Collaboration, by conducting a user study (N=26, within-subject design) to evaluate four distinct allocations of position/force control between human and robot in an abstract blending task. We hypothesize that the function in which humans control the position achieves better performance and receives higher user ratings. When allocating position control to the human and force control to the robot, compared to the opposite case, we observed a significant improvement in preventing overblending. This was also perceived better in terms of physical demand and overall system acceptance, while participants experienced greater autonomy, more engagement and less frustration. An interesting insight was that the supervisory role (when the robot controls both position and force) was rated second best in terms of subjective acceptance. Another surprising insight was that if position control was delegated to the robot, the participants perceived much lower autonomy than when the force control was delegated to the robot. These findings empirically support applying Fitts' principles to static function allocation for physical collaboration, while also revealing important nuanced user experience trade-offs, particularly regarding perceived autonomy when delegating position control. Received 7 May 2025; accepted 25 October 2025.


HypeMARL: Multi-Agent Reinforcement Learning For High-Dimensional, Parametric, and Distributed Systems

arXiv.org Artificial Intelligence

Deep reinforcement learning has recently emerged as a promising feedback control strategy for complex dynamical systems governed by partial differential equations (PDEs). When dealing with distributed, high-dimensional problems in state and control variables, multi-agent reinforcement learning (MARL) has been proposed as a scalable approach for breaking the curse of dimensionality. In particular, through decentralized training and execution, multiple agents cooperate to steer the system towards a target configuration, relying solely on local state and reward information. However, the principle of locality may become a limiting factor whenever a collective, nonlocal behavior of the agents is crucial to maximize the reward function, as typically happens in PDE-constrained optimal control problems. In this work, we propose HypeMARL: a decentralized MARL algorithm tailored to the control of high-dimensional, parametric, and distributed systems. HypeMARL employs hypernetworks to effectively parametrize the agents' policies and value functions with respect to the system parameters and the agents' relative positions, encoded by sinusoidal positional encoding. Through the application on challenging control problems, such as density and flow control, we show that HypeMARL (i) can effectively control systems through a collective behavior of the agents, outperforming state-of-the-art decentralized MARL, (ii) can efficiently deal with parametric dependencies, (iii) requires minimal hyperparameter tuning and (iv) can reduce the amount of expensive environment interactions by a factor of ~10 thanks to its model-based extension, MB-HypeMARL, which relies on computationally efficient deep learning-based surrogate models approximating the dynamics locally, with minimal deterioration of the policy performance.


A Proof of Proposition

Neural Information Processing Systems

In this appendix we prove Proposition 1 from Section 4. Proposition 1. We next derive two lemmas that will be used in the proofs of our theorems. Hence we select the most under-sampled action if we take!1 in Algorithm 1. Lemma 2. Let s be a state that we visit m times. The proof follows from Lemma 1. The proof is by induction.


TransformEEG: Towards Improving Model Generalizability in Deep Learning-based EEG Parkinson's Disease Detection

arXiv.org Artificial Intelligence

Electroencephalography (EEG) is establishing itself as an important, low-cost, noninvasive diagnostic tool for the early detection of Parkinson's Disease (PD). In this context, EEG-based Deep Learning (DL) models have shown promising results due to their ability to discover highly nonlinear patterns within the signal. However, current state-of-the-art DL models suffer from poor generalizability caused by high inter-subject variability. This high variability underscores the need for enhancing model generalizability by developing new architectures better tailored to EEG data. This paper introduces TransformEEG, a hybrid Convolutional-Transformer designed for Parkinson's disease detection using EEG data. Unlike transformer models based on the EEGNet structure, TransformEEG incorporates a depthwise convolutional tokenizer. This tokenizer is specialized in generating tokens composed by channel-specific features, which enables more effective feature mixing within the self-attention layers of the transformer encoder. To evaluate the proposed model, four public datasets comprising 290 subjects (140 PD patients, 150 healthy controls) were harmonized and aggregated. A 10-outer, 10-inner Nested-Leave-N-Subjects-Out (N-LNSO) cross-validation was performed to provide an unbiased comparison against seven other consolidated EEG deep learning models. TransformEEG achieved the highest balanced accuracy's median (78.45%) as well as the lowest interquartile range (6.37%) across all the N-LNSO partitions. When combined with data augmentation and threshold correction, median accuracy increased to 80.10%, with an interquartile range of 5.74%. In conclusion, TransformEEG produces more consistent and less skewed results. It demonstrates a substantial reduction in variability and more reliable PD detection using EEG data compared to the other investigated models.


Reinforcement Learning Closures for Underresolved Partial Differential Equations using Synthetic Data

arXiv.org Artificial Intelligence

Partial Differential Equations (PDEs) describe phenomena ranging from turbulence and epidemics to quantum mechanics and financial markets. Despite recent advances in computational science, solving such PDEs for real-world applications remains prohibitively expensive because of the necessity of resolving a broad range of spatiotemporal scales. In turn, practitioners often rely on coarse-grained approximations of the original PDEs, trading off accuracy for reduced computational resources. To mitigate the loss of detail inherent in such approximations, closure models are employed to represent unresolved spatiotemporal interactions. We present a framework for developing closure models for PDEs using synthetic data acquired through the method of manufactured solutions. These data are used in conjunction with reinforcement learning to provide closures for coarse-grained PDEs. We illustrate the efficacy of our method using the one-dimensional and two-dimensional Burgers' equations and the two-dimensional advection equation. Moreover, we demonstrate that closure models trained for inhomogeneous PDEs can be effectively generalized to homogeneous PDEs. The results demonstrate the potential for developing accurate and computationally efficient closure models for systems with scarce data.


GRAPPA -- A Hybrid Graph Neural Network for Predicting Pure Component Vapor Pressures

arXiv.org Artificial Intelligence

Although the pure component vapor pressure is one of the most important properties for designing chemical processes, no broadly applicable, sufficiently accurate, and open-source prediction method has been available. To overcome this, we have developed GRAPPA - a hybrid graph neural network for predicting vapor pressures of pure components. GRAPPA enables the prediction of the vapor pressure curve of basically any organic molecule, requiring only the molecular structure as input. The new model consists of three parts: A graph attention network for the message passing step, a pooling function that captures long-range interactions, and a prediction head that yields the component-specific parameters of the Antoine equation, from which the vapor pressure can readily and consistently be calculated for any temperature. We have trained and evaluated GRAPPA on experimental vapor pressure data of almost 25,000 pure components. We found excellent prediction accuracy for unseen components, outperforming state-of-the-art group contribution methods and other machine learning approaches in applicability and accuracy. The trained model and its code are fully disclosed, and GRAPPA is directly applicable via the interactive website ml-prop.mv.rptu.de.


Hinge-FM2I: An Approach using Image Inpainting for Interpolating Missing Data in Univariate Time Series

arXiv.org Machine Learning

Accurate time series forecasts are crucial for various applications, such as traffic management, electricity consumption, and healthcare. However, limitations in models and data quality can significantly impact forecasts accuracy. One common issue with data quality is the absence of data points, referred to as missing data. It is often caused by sensor malfunctions, equipment failures, or human errors. This paper proposes Hinge-FM2I, a novel method for handling missing data values in univariate time series data. Hinge-FM2I builds upon the strengths of the Forecasting Method by Image Inpainting (FM2I). FM2I has proven effective, but selecting the most accurate forecasts remain a challenge. To overcome this issue, we proposed a selection algorithm. Inspired by door hinges, Hinge-FM2I drops a data point either before or after the gap (left/right-hinge), then use FM2I for imputation, and then select the imputed gap based on the lowest error of the dropped data point. Hinge-FM2I was evaluated on a comprehensive sample composed of 1356 time series, extracted from the M3 competition benchmark dataset, with missing value rates ranging from 3.57\% to 28.57\%. Experimental results demonstrate that Hinge-FM2I significantly outperforms established methods such as, linear/spline interpolation, K-Nearest Neighbors (K-NN), and ARIMA. Notably, Hinge-FM2I achieves an average Symmetric Mean Absolute Percentage Error (sMAPE) score of 5.6\% for small gaps, and up to 10\% for larger ones. These findings highlight the effectiveness of Hinge-FM2I as a promising new method for addressing missing values in univariate time series data.


Biological Neurons Compete with Deep Reinforcement Learning in Sample Efficiency in a Simulated Gameworld

arXiv.org Artificial Intelligence

How do biological systems and machine learning algorithms compare in the number of samples required to show significant improvements in completing a task? We compared the learning efficiency of in vitro biological neural networks to the state-of-the-art deep reinforcement learning (RL) algorithms in a simplified simulation of the game `Pong'. Using DishBrain, a system that embodies in vitro neural networks with in silico computation using a high-density multi-electrode array, we contrasted the learning rate and the performance of these biological systems against time-matched learning from three state-of-the-art deep RL algorithms (i.e., DQN, A2C, and PPO) in the same game environment. This allowed a meaningful comparison between biological neural systems and deep RL. We find that when samples are limited to a real-world time course, even these very simple biological cultures outperformed deep RL algorithms across various game performance characteristics, implying a higher sample efficiency. Ultimately, even when tested across multiple types of information input to assess the impact of higher dimensional data input, biological neurons showcased faster learning than all deep reinforcement learning agents.