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Maximum Common Subgraph Guided Graph Retrieval: Late and Early Interaction Networks

Neural Information Processing Systems

The graph retrieval problem is to search in a large corpus of graphs for ones that are most similar to a query graph. A common consideration for scoring similarity is the maximum common subgraph (MCS) between the query and corpus graphs, usually counting the number of common edges (i.e., MCES). In some applications, it is also desirable that the common subgraph be connected, i.e., the maximum common connected subgraph (MCCS). Finding exact MCES and MCCS is intractable, but may be unnecessary if ranking corpus graphs by relevance is the goal.


Weighted MCC: A Robust Measure of Multiclass Classifier Performance for Observations with Individual Weights

Cortez, Rommel, Krishnamoorthy, Bala

arXiv.org Machine Learning

Several performance measures are used to evaluate binary and multiclass classification tasks. But individual observations may often have distinct weights, and none of these measures are sensitive to such varying weights. We propose a new weighted Pearson-Matthews Correlation Coefficient (MCC) for binary classification as well as weighted versions of related multiclass measures. The weighted MCC varies between $-1$ and $1$. But crucially, the weighted MCC values are higher for classifiers that perform better on highly weighted observations, and hence is able to distinguish them from classifiers that have a similar overall performance and ones that perform better on the lowly weighted observations. Furthermore, we prove that the weighted measures are robust with respect to the choice of weights in a precise manner: if the weights are changed by at most $ε$, the value of the weighted measure changes at most by a factor of $ε$ in the binary case and by a factor of $ε^2$ in the multiclass case. Our computations demonstrate that the weighted measures clearly identify classifiers that perform better on higher weighted observations, while the unweighted measures remain completely indifferent to the choices of weights.



Associative Poisoning to Generative Machine Learning

Mohus, Mathias Lundteigen, Li, Jingyue, Yang, Zhirong

arXiv.org Artificial Intelligence

The widespread adoption of generative models such as Stable Diffusion and ChatGPT has made them increasingly attractive targets for malicious exploitation, particularly through data poisoning. Existing poisoning attacks compromising synthesised data typically either cause broad degradation of generated data or require control over the training process, limiting their applicability in real-world scenarios. In this paper, we introduce a novel data poisoning technique called associative poisoning, which compromises fine-grained features of the generated data without requiring control of the training process. This attack perturbs only the training data to manipulate statistical associations between specific feature pairs in the generated outputs. We provide a formal mathematical formulation of the attack and prove its theoretical feasibility and stealthiness. Empirical evaluations using two state-of-the-art generative models demonstrate that associative poisoning effectively induces or suppresses feature associations while preserving the marginal distributions of the targeted features and maintaining high-quality outputs, thereby evading visual detection. These results suggest that generative systems used in image synthesis, synthetic dataset generation, and natural language processing are susceptible to subtle, stealthy manipulations that compromise their statistical integrity. To address this risk, we examine the limitations of existing defensive strategies and propose a novel countermeasure strategy.


Reinforcement Learning for Out-of-Distribution Reasoning in LLMs: An Empirical Study on Diagnosis-Related Group Coding

Wang, Hanyin, Wu, Zhenbang, Kolar, Gururaj, Korsapati, Hariprasad, Bartlett, Brian, Hull, Bryan, Sun, Jimeng

arXiv.org Artificial Intelligence

Diagnosis-Related Group (DRG) codes are essential for hospital reimbursement and operations but require labor-intensive assignment. Large Language Models (LLMs) struggle with DRG coding due to the out-of-distribution (OOD) nature of the task: pretraining corpora rarely contain private clinical or billing data. We introduce DRG-Sapphire, which uses large-scale reinforcement learning (RL) for automated DRG coding from clinical notes. Built on Qwen2.5-7B and trained with Group Relative Policy Optimization (GRPO) using rule-based rewards, DRG-Sapphire introduces a series of RL enhancements to address domain-specific challenges not seen in previous mathematical tasks. Our model achieves state-of-the-art accuracy on the MIMIC-IV benchmark and generates physician-validated reasoning for DRG assignments, significantly enhancing explainability. Our study further sheds light on broader challenges of applying RL to knowledge-intensive, OOD tasks. We observe that RL performance scales approximately linearly with the logarithm of the number of supervised fine-tuning (SFT) examples, suggesting that RL effectiveness is fundamentally constrained by the domain knowledge encoded in the base model. For OOD tasks like DRG coding, strong RL performance requires sufficient knowledge infusion prior to RL. Consequently, scaling SFT may be more effective and computationally efficient than scaling RL alone for such tasks.


Evaluating Generative AI Tools for Personalized Offline Recommendations: A Comparative Study

Salinas-Buestan, Rafael, Parra, Otto, Condori-Fernandez, Nelly, Granda, Maria Fernanda

arXiv.org Artificial Intelligence

Background: Generative AI tools have become increasingly relevant in supporting personalized recommendations across various domains. However, their effectiveness in health-related behavioral interventions, especially those aiming to reduce the use of technology, remains underexplored. Aims: This study evaluates the performance and user satisfaction of the five most widely used generative AI tools when recommending non-digital activities tailored to individuals at risk of repetitive strain injury. Method: Following the Goal/Question/Metric (GQM) paradigm, this proposed experiment involves generative AI tools that suggest offline activities based on predefined user profiles and intervention scenarios. The evaluation is focused on quantitative performance (precision, recall, F1-score and MCC-score) and qualitative aspects (user satisfaction and perceived recommendation relevance). Two research questions were defined: RQ1 assessed which tool delivers the most accurate recommendations, and RQ2 evaluated how tool choice influences user satisfaction.


ResCap-DBP: A Lightweight Residual-Capsule Network for Accurate DNA-Binding Protein Prediction Using Global ProteinBERT Embeddings

Shuvo, Samiul Based, Mamun, Tasnia Binte, Acharya, U Rajendra

arXiv.org Artificial Intelligence

DNA-binding proteins (DBPs) are integral to gene regulation and cellular processes, making their accurate identification essential for understanding biological functions and disease mechanisms. Experimental methods for DBP identification are time-consuming and costly, driving the need for efficient computational prediction techniques. In this study, we propose a novel deep learning framework, ResCap-DBP, that combines a residual learning-based encoder with a one-dimensional Capsule Network (1D-CapsNet) to predict DBPs directly from raw protein sequences. Our architecture incorporates dilated convolutions within residual blocks to mitigate vanishing gradient issues and extract rich sequence features, while capsule layers with dynamic routing capture hierarchical and spatial relationships within the learned feature space. We conducted comprehensive ablation studies comparing global and local embeddings from ProteinBERT and conventional one-hot encoding. Results show that ProteinBERT embeddings substantially outperform other representations on large datasets. Although one-hot encoding showed marginal advantages on smaller datasets, such as PDB186, it struggled to scale effectively. Extensive evaluations on four pairs of publicly available benchmark datasets demonstrate that our model consistently outperforms current state-of-the-art methods. It achieved AUC scores of 98.0% and 89.5% on PDB14189andPDB1075, respectively. On independent test sets PDB2272 and PDB186, the model attained top AUCs of 83.2% and 83.3%, while maintaining competitive performance on larger datasets such as PDB20000. Notably, the model maintains a well balanced sensitivity and specificity across datasets. These results demonstrate the efficacy and generalizability of integrating global protein representations with advanced deep learning architectures for reliable and scalable DBP prediction in diverse genomic contexts.


Are Trees Really Green? A Detection Approach of IoT Malware Attacks

Sanna, Silvia Lucia, Soi, Diego, Maiorca, Davide, Giacinto, Giorgio

arXiv.org Artificial Intelligence

Nowadays, the Internet of Things (IoT) is widely employed, and its usage is growing exponentially because it facilitates remote monitoring, predictive maintenance, and data-driven decision making, especially in the healthcare and industrial sectors. However, IoT devices remain vulnerable due to their resource constraints and difficulty in applying security patches. Consequently, various cybersecurity attacks are reported daily, such as Denial of Service, particularly in IoT-driven solutions. Most attack detection methodologies are based on Machine Learning (ML) techniques, which can detect attack patterns. However, the focus is more on identification rather than considering the impact of ML algorithms on computational resources. This paper proposes a green methodology to identify IoT malware networking attacks based on flow privacy-preserving statistical features. In particular, the hyperparameters of three tree-based models -- Decision Trees, Random Forest and Extra-Trees -- are optimized based on energy consumption and test-time performance in terms of Matthew's Correlation Coefficient. Our results show that models maintain high performance and detection accuracy while consistently reducing power usage in terms of watt-hours (Wh). This suggests that on-premise ML-based Intrusion Detection Systems are suitable for IoT and other resource-constrained devices.


HybriDNA: A Hybrid Transformer-Mamba2 Long-Range DNA Language Model

Ma, Mingqian, Liu, Guoqing, Cao, Chuan, Deng, Pan, Dao, Tri, Gu, Albert, Jin, Peiran, Yang, Zhao, Xia, Yingce, Luo, Renqian, Hu, Pipi, Wang, Zun, Chen, Yuan-Jyue, Liu, Haiguang, Qin, Tao

arXiv.org Artificial Intelligence

Advances in natural language processing and large language models have sparked growing interest in modeling DNA, often referred to as the "language of life". However, DNA modeling poses unique challenges. First, it requires the ability to process ultra-long DNA sequences while preserving single-nucleotide resolution, as individual nucleotides play a critical role in DNA function. Second, success in this domain requires excelling at both generative and understanding tasks: generative tasks hold potential for therapeutic and industrial applications, while understanding tasks provide crucial insights into biological mechanisms and diseases. To address these challenges, we propose HybriDNA, a decoder-only DNA language model that incorporates a hybrid Transformer-Mamba2 architecture, seamlessly integrating the strengths of attention mechanisms with selective state-space models. This hybrid design enables HybriDNA to efficiently process DNA sequences up to 131kb in length with single-nucleotide resolution. HybriDNA achieves state-of-the-art performance across 33 DNA understanding datasets curated from the BEND, GUE, and LRB benchmarks, and demonstrates exceptional capability in generating synthetic cis-regulatory elements (CREs) with desired properties. Furthermore, we show that HybriDNA adheres to expected scaling laws, with performance improving consistently as the model scales from 300M to 3B and 7B parameters. These findings underscore HybriDNA's versatility and its potential to advance DNA research and applications, paving the way for innovations in understanding and engineering the "language of life".


Learning Euler Factors of Elliptic Curves

Babei, Angelica, Charton, François, Costa, Edgar, Huang, Xiaoyu, Lee, Kyu-Hwan, Lowry-Duda, David, Narayanan, Ashvni, Pozdnyakov, Alexey

arXiv.org Artificial Intelligence

We apply transformer models and feedforward neural networks to predict Frobenius traces $a_p$ from elliptic curves given other traces $a_q$. We train further models to predict $a_p \bmod 2$ from $a_q \bmod 2$, and cross-analysis such as $a_p \bmod 2$ from $a_q$. Our experiments reveal that these models achieve high accuracy, even in the absence of explicit number-theoretic tools like functional equations of $L$-functions. We also present partial interpretability findings.