OpenRaiser/Intern-Atlas huggingface dataset:
Online Hitting Set for Axis-Aligned Squares
Venue: arXiv cs.CG 2025
Year: 2025

We are given a set $P$ of $n$ points in the plane, and a sequence of axis-aligned squares that arrive in an online fashion. The online hitting set problem consists of maintaining, by adding new points if necessary, a set $H\subseteq P$ that contains at least one point in each input square. We present an $O(\log n)$-competitive deterministic algorithm for this problem. The competitive ratio is the best possible, apart from constant factors. In fact, this is the first $O(\log n)$-competitive algorithm for the online hitting set problem that works for geometric objects of arbitrary sizes (i.e., arbitrary scaling factors) in the plane. We further generalize this result to positive homothets of a polygon with $k\geq 3$ vertices in the plane and provide an $O(k^2\log n)$-competitive algorithm.
Combining High Level Scheduling and Low Level Control to Manage Fleets of Mobile Robots
Venue: arXiv cs.RO 2025
Year: 2025

The deployment of mobile robots for material handling in industrial environments requires scalable coordination of large fleets in dynamic settings. This paper presents a two-layer framework that combines high-level scheduling with low-level control. Tasks are assigned and scheduled using the compositional algorithm ComSat, which generates time-parameterized routes for each robot. These schedules are then used by a distributed Model Predictive Control (MPC) system in real time to compute local reference trajectories, accounting for static and dynamic obstacles. The approach ensures safe, collision-free operation, and supports rapid rescheduling in response to disruptions such as robot failures or environmental changes. We evaluate the method in simulated 2D environments with varying road capacities and traffic conditions, demonstrating high task completion rates and robust behavior even under congestion. The modular structure of the framework allows for computational tractability and flexibility, making it suitable for deployment in complex, real-world industrial scenarios.
Fast Voxel-Wise Kinetic Modeling in Dynamic PET using a Physics-Informed CycleGAN
Venue: arXiv cs.CV 2025
Year: 2025

Tracer kinetic modeling serves a vital role in diagnosis, treatment planning, tracer development and oncology, but burdens practitioners with complex and invasive arterial input function estimation (AIF). We adopt a physics-informed CycleGAN showing promise in DCE-MRI quantification to dynamic PET quantification. Our experiments demonstrate sound AIF predictions and parameter maps closely resembling the reference.
DQ3D: Depth-guided Query for Transformer-Based 3D Object Detection in Traffic Scenarios
Venue: arXiv cs.CV 2025
Year: 2025

3D object detection from multi-view images in traffic scenarios has garnered significant attention in recent years. Many existing approaches rely on object queries that are generated from 3D reference points to localize objects. However, a limitation of these methods is that some reference points are often far from the target object, which can lead to false positive detections. In this paper, we propose a depth-guided query generator for 3D object detection (DQ3D) that leverages depth information and 2D detections to ensure that reference points are sampled from the surface or interior of the object. Furthermore, to address partially occluded objects in current frame, we introduce a hybrid attention mechanism that fuses historical detection results with depth-guided queries, thereby forming hybrid queries. Evaluation on the nuScenes dataset demonstrates that our method outperforms the baseline by 6.3\% in terms of mean Average Precision (mAP) and 4.3\% in the NuScenes Detection Score (NDS).
The Benchmarking Epistemology: Construct Validity for Evaluating Machine Learning Models
Venue: arXiv cs.LG 2025
Year: 2025

Predictive benchmarking, the evaluation of machine learning models based on predictive performance and competitive ranking, is a central epistemic practice in machine learning research and an increasingly prominent method for scientific inquiry. Yet, benchmark scores alone provide at best measurements of model performance relative to an evaluation dataset and a concrete learning problem. Drawing substantial scientific inferences from the results, say about theoretical tasks like image classification, requires additional assumptions about the theoretical structure of the learning problems, evaluation functions, and data distributions. We make these assumptions explicit by developing conditions of construct validity inspired by psychological measurement theory. We examine these assumptions in practice through three case studies, each exemplifying a typical intended inference: measuring engineering progress in computer vision with ImageNet; evaluating policy-relevant weather predictions with WeatherBench; and examining limitations of the predictability of life events with the Fragile Families Challenge. Our framework clarifies the conditions under which benchmark scores can support diverse scientific claims, bringing predictive benchmarking into perspective as an epistemological practice and a key site of conceptual and theoretical reasoning in machine learning.
DecoDINO: 3D Human-Scene Contact Prediction with Semantic Classification
Venue: arXiv cs.CV 2025
Year: 2025

Accurate vertex-level contact prediction between humans and surrounding objects is a prerequisite for high fidelity human object interaction models used in robotics, AR/VR, and behavioral simulation. DECO was the first in the wild estimator for this task but is limited to binary contact maps and struggles with soft surfaces, occlusions, children, and false-positive foot contacts. We address these issues and introduce DecoDINO, a three-branch network based on DECO's framework. It uses two DINOv2 ViT-g/14 encoders, class-balanced loss weighting to reduce bias, and patch-level cross-attention for improved local reasoning. Vertex features are finally passed through a lightweight MLP with a softmax to assign semantic contact labels. We also tested a vision-language model (VLM) to integrate text features, but the simpler architecture performed better and was used instead. On the DAMON benchmark, DecoDINO (i) raises the binary-contact F1 score by 7$\%$, (ii) halves the geodesic error, and (iii) augments predictions with object-level semantic labels. Ablation studies show that LoRA fine-tuning and the dual encoders are key to these improvements. DecoDINO outperformed the challenge baseline in both tasks of the DAMON Challenge. Our code is available at https://github.com/DavidePasero/deco/tree/main.
If They Disagree, Will You Conform? Exploring the Role of Robots' Value Awareness in a Decision-Making Task
Venue: arXiv cs.RO 2025
Year: 2025

This study investigates whether the opinions of robotic agents can influence human decision-making when robots display value awareness (i.e., the capability of understanding human preferences and prioritizing them in decision-making). We designed an experiment in which participants interacted with two Furhat robots - one programmed to be Value-Aware and the other Non-Value-Aware - during a labeling task for images representing human values. Results indicate that participants distinguished the Value-Aware robot from the Non-Value-Aware one. Although their explicit choices did not indicate a clear preference for one robot over the other, participants directed their gaze more toward the Value-Aware robot. Additionally, the Value-Aware robot was perceived as more loyal, suggesting that value awareness in a social robot may enhance its perceived commitment to the group. Finally, when both robots disagreed with the participant, conformity occurred in about one out of four trials, and participants took longer to confirm their responses, suggesting that two robots expressing dissent may introduce hesitation in decision-making. On one hand, this highlights the potential risk that robots, if misused, could manipulate users for unethical purposes. On the other hand, it reinforces the idea that social robots could encourage reflection in ambiguous situations and help users avoid scams.
AUPO -- Abstracted Until Proven Otherwise: A Reward Distribution Based Abstraction Algorithm
Venue: arXiv cs.AI 2025
Year: 2025

We introduce a novel, drop-in modification to Monte Carlo Tree Search's (MCTS) decision policy that we call AUPO. Comparisons based on a range of IPPC benchmark problems show that AUPO clearly outperforms MCTS. AUPO is an automatic action abstraction algorithm that solely relies on reward distribution statistics acquired during the MCTS. Thus, unlike other automatic abstraction algorithms, AUPO requires neither access to transition probabilities nor does AUPO require a directed acyclic search graph to build its abstraction, allowing AUPO to detect symmetric actions that state-of-the-art frameworks like ASAP struggle with when the resulting symmetric states are far apart in state space. Furthermore, as AUPO only affects the decision policy, it is not mutually exclusive with other abstraction techniques that only affect the tree search.
GCAO: Group-driven Clustering via Gravitational Attraction and Optimization
Venue: arXiv cs.LG 2025
Year: 2025

Traditional clustering algorithms often struggle with high-dimensional and non-uniformly distributed data, where low-density boundary samples are easily disturbed by neighboring clusters, leading to unstable and distorted clustering results. To address this issue, we propose a Group-driven Clustering via Gravitational Attraction and Optimization (GCAO) algorithm. GCAO introduces a group-level optimization mechanism that aggregates low-density boundary points into collaboratively moving groups, replacing the traditional point-based contraction process. By combining local density estimation with neighborhood topology, GCAO constructs effective gravitational interactions between groups and their surroundings, enhancing boundary clarity and structural consistency. Using groups as basic motion units, a gravitational contraction strategy ensures globally stable and directionally consistent convergence. Experiments on multiple high-dimensional datasets demonstrate that GCAO outperforms 11 representative clustering methods, achieving average improvements of 37.13%, 52.08%, 44.98%, and 38.81% in NMI, ARI, Homogeneity, and ACC, respectively, while maintaining competitive efficiency and scalability. These results highlight GCAO's superiority in preserving cluster integrity, enhancing boundary separability, and ensuring robust performance on complex data distributions.
A Novel Framework for Multi-Modal Protein Representation Learning
Venue: arXiv cs.LG 2025
Year: 2025

Accurate protein function prediction requires integrating heterogeneous intrinsic signals (e.g., sequence and structure) with noisy extrinsic contexts (e.g., protein-protein interactions and GO term annotations). However, two key challenges hinder effective fusion: (i) cross-modal distributional mismatch among embeddings produced by pre-trained intrinsic encoders, and (ii) noisy relational graphs of extrinsic data that degrade GNN-based information aggregation. We propose Diffused and Aligned Multi-modal Protein Embedding (DAMPE), a unified framework that addresses these through two core mechanisms. First, we propose Optimal Transport (OT)-based representation alignment that establishes correspondence between intrinsic embedding spaces of different modalities, effectively mitigating cross-modal heterogeneity. Second, we develop a Conditional Graph Generation (CGG)-based information fusion method, where a condition encoder fuses the aligned intrinsic embeddings to provide informative cues for graph reconstruction. Meanwhile, our theoretical analysis implies that the CGG objective drives this condition encoder to absorb graph-aware knowledge into its produced protein representations. Empirically, DAMPE outperforms or matches state-of-the-art methods such as DPFunc on standard GO benchmarks, achieving AUPR gains of 0.002-0.013 pp and Fmax gains 0.004-0.007 pp. Ablation studies further show that OT-based alignment contributes 0.043-0.064 pp AUPR, while CGG-based fusion adds 0.005-0.111 pp Fmax. Overall, DAMPE offers a scalable and theoretically grounded approach for robust multi-modal protein representation learning, substantially enhancing protein function prediction.
Learning from Frustration: Torsor CNNs on Graphs
Venue: arXiv cs.LG 2025
Year: 2025

Most equivariant neural networks rely on a single global symmetry, limiting their use in domains where symmetries are instead local. We introduce Torsor CNNs, a framework for learning on graphs with local symmetries encoded as edge potentials -- group-valued transformations between neighboring coordinate frames. We establish that this geometric construction is fundamentally equivalent to the classical group synchronization problem, yielding: (1) a Torsor Convolutional Layer that is provably equivariant to local changes in coordinate frames, and (2) the frustration loss -- a standalone geometric regularizer that encourages locally equivariant representations when added to any NN's training objective. The Torsor CNN framework unifies and generalizes several architectures -- including classical CNNs and Gauge CNNs on manifolds -- by operating on arbitrary graphs without requiring a global coordinate system or smooth manifold structure. We establish the mathematical foundations of this framework and demonstrate its applicability to multi-view 3D recognition, where relative camera poses naturally define the required edge potentials.
Multitask Multimodal Self-Supervised Learning for Medical Images
Venue: arXiv cs.CV 2025
Year: 2025

This thesis works to address a pivotal challenge in medical image analysis: the reliance on extensive labeled datasets, which are often limited due to the need for expert annotation and constrained by privacy and legal issues. By focusing on the development of self-supervised learning techniques and domain adaptation methods, this research aims to circumvent these limitations, presenting a novel approach to enhance the utility and efficacy of deep learning in medical imaging. Central to this thesis is the development of the Medformer, an innovative neural network architecture designed for multitask learning and deep domain adaptation. This model is adept at pre-training on diverse medical image datasets, handling varying sizes and modalities, and is equipped with a dynamic input-output adaptation mechanism. This enables efficient processing and integration of a wide range of medical image types, from 2D X-rays to complex 3D MRIs, thus mitigating the dependency on large labeled datasets. Further, the thesis explores the current state of self-supervised learning in medical imaging. It introduces novel pretext tasks that are capable of extracting meaningful information from unlabeled data, significantly advancing the model's interpretative abilities. This approach is validated through rigorous experimentation, including the use of the MedMNIST dataset, demonstrating the model's proficiency in learning generalized features applicable to various downstream tasks. In summary, this thesis contributes to the advancement of medical image analysis by offering a scalable, adaptable framework that reduces reliance on labeled data. It paves the way for more accurate, efficient diagnostic tools in healthcare, signifying a major step forward in the application of deep learning in medical imaging.
LightKGG: Simple and Efficient Knowledge Graph Generation from Textual Data
Venue: arXiv cs.CL 2025
Year: 2025

The scarcity of high-quality knowledge graphs (KGs) remains a critical bottleneck for downstream AI applications, as existing extraction methods rely heavily on error-prone pattern-matching techniques or resource-intensive large language models (LLMs). While recent tools leverage LLMs to generate KGs, their computational demands limit accessibility for low-resource environments. Our paper introduces LightKGG, a novel framework that enables efficient KG extraction from textual data using small-scale language models (SLMs) through two key technical innovations: (1) Context-integrated Graph extraction integrates contextual information with nodes and edges into a unified graph structure, reducing the reliance on complex semantic processing while maintaining more key information; (2) Topology-enhanced relationship inference leverages the inherent topology of the extracted graph to efficiently infer relationships, enabling relationship discovery without relying on complex language understanding capabilities of LLMs. By enabling accurate KG construction with minimal hardware requirements, this work bridges the gap between automated knowledge extraction and practical deployment scenarios while introducing scientifically rigorous methods for optimizing SLM efficiency in structured NLP tasks.
Robust Non-negative Proximal Gradient Algorithm for Inverse Problems
Venue: arXiv cs.LG 2025
Year: 2025

Proximal gradient algorithms (PGA), while foundational for inverse problems like image reconstruction, often yield unstable convergence and suboptimal solutions by violating the critical non-negativity constraint. We identify the gradient descent step as the root cause of this issue, which introduces negative values and induces high sensitivity to hyperparameters. To overcome these limitations, we propose a novel multiplicative update proximal gradient algorithm (SSO-PGA) with convergence guarantees, which is designed for robustness in non-negative inverse problems. Our key innovation lies in superseding the gradient descent step with a learnable sigmoid-based operator, which inherently enforces non-negativity and boundedness by transforming traditional subtractive updates into multiplicative ones. This design, augmented by a sliding parameter for enhanced stability and convergence, not only improves robustness but also boosts expressive capacity and noise immunity. We further formulate a degradation model for multi-modal restoration and derive its SSO-PGA-based optimization algorithm, which is then unfolded into a deep network to marry the interpretability of optimization with the power of deep learning. Extensive numerical and real-world experiments demonstrate that our method significantly surpasses traditional PGA and other state-of-the-art algorithms, ensuring superior performance and stability.
Interpretable Tile-Based Classification of Paclitaxel Exposure
Venue: arXiv cs.CV 2025
Year: 2025

Medical image analysis is central to drug discovery and preclinical evaluation, where scalable, objective readouts can accelerate decision-making. We address classification of paclitaxel (Taxol) exposure from phase-contrast microscopy of C6 glioma cells -- a task with subtle dose differences that challenges full-image models. We propose a simple tiling-and-aggregation pipeline that operates on local patches and combines tile outputs into an image label, achieving state-of-the-art accuracy on the benchmark dataset and improving over the published baseline by around 20 percentage points, with trends confirmed by cross-validation. To understand why tiling is effective, we further apply Grad-CAM and Score-CAM and attention analyses, which enhance model interpretability and point toward robustness-oriented directions for future medical image research. Code is released to facilitate reproduction and extension.
Towards a Generalizable AI for Materials Discovery: Validation through Immersion Coolant Screening
Venue: arXiv cs.LG 2025
Year: 2025

Artificial intelligence (AI) has emerged as a powerful accelerator of materials discovery, yet most existing models remain problem-specific, requiring additional data collection and retraining for each new property. Here we introduce and validate GATE (Geometrically Aligned Transfer Encoder) -- a generalizable AI framework that jointly learns 34 physicochemical properties spanning thermal, electrical, mechanical, and optical domains. By aligning these properties within a shared geometric space, GATE captures cross-property correlations that reduce disjoint-property bias -- a key factor causing false positives in multi-criteria screening. To demonstrate its generalizable utility, GATE -- without any problem-specific model reconfiguration -- applied to the discovery of immersion cooling fluids for data centers, a stringent real-world challenge defined by the Open Compute Project (OCP). Screening billions of candidates, GATE identified 92,861 molecules as promising for practical deployment. Four were experimentally or literarily validated, showing strong agreement with wet-lab measurements and performance comparable to or exceeding a commercial coolant. These results establish GATE as a generalizable AI platform readily applicable across diverse materials discovery tasks.
AutoStreamPipe: LLM Assisted Automatic Generation of Data Stream Processing Pipelines
Venue: arXiv cs.AI 2025
Year: 2025

Data pipelines are essential in stream processing as they enable the efficient collection, processing, and delivery of real-time data, supporting rapid data analysis. In this paper, we present AutoStreamPipe, a novel framework that employs Large Language Models (LLMs) to automate the design, generation, and deployment of stream processing pipelines. AutoStreamPipe bridges the semantic gap between high-level user intent and platform-specific implementations across distributed stream processing systems for structured multi-agent reasoning by integrating a Hypergraph of Thoughts (HGoT) as an extended version of GoT. AutoStreamPipe combines resilient execution strategies, advanced query analysis, and HGoT to deliver pipelines with good accuracy. Experimental evaluations on diverse pipelines demonstrate that AutoStreamPipe significantly reduces development time (x6.3) and error rates (x5.19), as measured by a novel Error-Free Score (EFS), compared to LLM code-generation methods.
Eigen-Value: Efficient Domain-Robust Data Valuation via Eigenvalue-Based Approach
Venue: arXiv cs.LG 2025
Year: 2025

Data valuation has become central in the era of data-centric AI. It drives efficient training pipelines and enables objective pricing in data markets by assigning a numeric value to each data point. Most existing data valuation methods estimate the effect of removing individual data points by evaluating changes in model validation performance under in-distribution (ID) settings, as opposed to out-of-distribution (OOD) scenarios where data follow different patterns. Since ID and OOD data behave differently, data valuation methods based on ID loss often fail to generalize to OOD settings, particularly when the validation set contains no OOD data. Furthermore, although OOD-aware methods exist, they involve heavy computational costs, which hinder practical deployment. To address these challenges, we introduce \emph{Eigen-Value} (EV), a plug-and-play data valuation framework for OOD robustness that uses only an ID data subset, including during validation. EV provides a new spectral approximation of domain discrepancy, which is the gap of loss between ID and OOD using ratios of eigenvalues of ID data's covariance matrix. EV then estimates the marginal contribution of each data point to this discrepancy via perturbation theory, alleviating the computational burden. Subsequently, EV plugs into ID loss-based methods by adding an EV term without any additional training loop. We demonstrate that EV achieves improved OOD robustness and stable value rankings across real-world datasets, while remaining computationally lightweight. These results indicate that EV is practical for large-scale settings with domain shift, offering an efficient path to OOD-robust data valuation.