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Beyond Token-level Supervision: Unlocking the Potential of Decoding-based Regression via Reinforcement Learning

Chen, Ming, Tang, Sheng, Tan, Rong-Xi, Li, Ziniu, Chen, Jiacheng, Xue, Ke, Qian, Chao

arXiv.org Artificial Intelligence

Decoding-based regression, which reformulates regression as a sequence generation task, has emerged as a promising paradigm of applying large language models for numerical prediction. However, its progress is hindered by the misalignment between discrete token-level objectives (e.g., cross-entropy) and continuous numerical values. Existing approaches relying on token-level constraints often fail to capture the global magnitude of the target value, limiting their precision and generalization. In this paper, we propose to unlock the potential of decoding-based regression via Reinforcement Learning (RL). We formulate the generation process as a Markov Decision Process, utilizing sequence-level rewards to enforce global numerical coherence. Extensive experiments on tabular regression and code metric regression demonstrate that our method (specifically with ReMax and GRPO) consistently outperforms both state-of-the-art token-level baselines and traditional regression heads, showing the superiority of introducing sequence-level signals. Our analysis further reveals that RL significantly enhances sampling efficiency and predictive precision, establishing decoding-based regression as a robust and accurate paradigm for general-purpose numerical prediction.




Understanding Network Behaviors through Natural Language Question-Answering

Xing, Mingzhe, Tian, Chang, Zhang, Jianan, Pan, Lichen, Liu, Peipei, Yan, Zhaoteng, Yue, Yinliang

arXiv.org Artificial Intelligence

Modern large-scale networks introduce significant complexity in understanding network behaviors, increasing the risk of misconfiguration. Prior work proposed to understand network behaviors by mining network configurations, typically relying on domain-specific languages interfaced with formal models. While effective, they suffer from a steep learning curve and limited flexibility. In contrast, natural language (NL) offers a more accessible and interpretable interface, motivating recent research on NL-guided network behavior understanding. Recent advances in large language models (LLMs) further enhance this direction, leveraging their extensive prior knowledge of network concepts and strong reasoning capabilities. However, three key challenges remain: 1) numerous router devices with lengthy configuration files challenge LLM's long-context understanding ability; 2) heterogeneity across devices and protocols impedes scalability; and 3) complex network topologies and protocols demand advanced reasoning abilities beyond the current capabilities of LLMs. To tackle the above challenges, we propose NetMind, a novel framework for querying networks using NL. Our approach introduces a tree-based configuration chunking strategy to preserve semantic coherence while enabling efficient partitioning. We then construct a unified fact graph as an intermediate representation to normalize vendor-specific configurations. Finally, we design a hybrid imperative-declarative language to reduce the reasoning burden on LLMs and enhance precision. We contribute a benchmark consisting of NL question-answer pairs paired with network configurations. Experiments demonstrate that NetMind achieves accurate and scalable network behavior understanding, outperforming existing baselines.


Utilizing the RAIN method and Graph SAGE Model to Identify Effective Drug Combinations for Gastric Neoplasm Treatment

Pirasteh, S. Z., Kiaei, Ali A., Bush, Mahnaz, Moghadam, Sabra, Aghaei, Raha, Sadeghigol, Behnaz

arXiv.org Artificial Intelligence

Background: Gastric neoplasm, primarily adenocarcinoma, is an aggressive cancer with high mortality, often diagnosed late, leading to complications like metastasis. Effective drug combinations are vital to address disease heterogeneity, enhance efficacy, reduce resistance, and improve patient outcomes. Methods: The RAIN method integrated Graph SAGE to propose drug combinations, using a graph model with p-value-weighted edges connecting drugs, genes, and proteins. NLP and systematic literature review (PubMed, Scopus, etc.) validated proposed drugs, followed by network meta-analysis to assess efficacy, implemented in Python. Results: Oxaliplatin, fluorouracil, and trastuzumab were identified as effective, supported by 61 studies. Fluorouracil alone had a p-value of 0.0229, improving to 0.0099 with trastuzumab, and 0.0069 for the triple combination, indicating superior efficacy. Conclusion: The RAIN method, combining AI and network meta-analysis, effectively identifies optimal drug combinations for gastric neoplasm, offering a promising strategy to enhance treatment outcomes and guide health policy.


Towards Generalizable Human Activity Recognition: A Survey

Cai, Yize, Guo, Baoshen, Salim, Flora, Hong, Zhiqing

arXiv.org Artificial Intelligence

As a critical component of Wearable AI, IMU-based Human Activity Recognition (HAR) has attracted increasing attention from both academia and industry in recent years. Although HAR performance has improved considerably in specific scenarios, its generalization capability remains a key barrier to widespread real-world adoption. For example, domain shifts caused by variations in users, sensor positions, or environments can significantly decrease the performance in practice. As a result, in this survey, we explore the rapidly evolving field of IMU-based generalizable HAR, reviewing 229 research papers alongside 25 publicly available datasets to provide a broad and insightful overview. We first present the background and overall framework of IMU-based HAR tasks, as well as the generalization-oriented training settings. Then, we categorize representative methodologies from two perspectives: (i) model-centric approaches, including pre-training method, end-to-end method, and large language model (LLM)-based learning method; and (ii) data-centric approaches, including multi-modal learning and data augmentation techniques. In addition, we summarize widely used datasets in this field, as well as relevant tools and benchmarks. Building on these methodological advances, the broad applicability of IMU-based HAR is also reviewed and discussed. Finally, we discuss persistent challenges (e.g., data scarcity, efficient training, and reliable evaluation) and also outline future directions for HAR, including the adoption of foundation and large language models, physics-informed and context-aware reasoning, generative modeling, and resource-efficient training and inference. The complete list of this survey is available at https://github.com/rh20624/Awesome-IMU-Sensing, which will be updated continuously.




BondMatcher: H-Bond Stability Analysis in Molecular Systems

Daniel, Thomas, Olejniczak, Malgorzata, Tierny, Julien

arXiv.org Artificial Intelligence

This application paper investigates the stability of hydrogen bonds (H-bonds), as characterized by the Quantum Theory of Atoms in Molecules (QTAIM). First, we contribute a database of 4544 electron densities associated to four isomers of water hexamers (the so-called Ring, Book, Cage and Prism), generated by distorting their equilibrium geometry under various structural perturbations, modeling the natural dynamic behavior of molecular systems. Second, we present a new stability measure, called bond occurrence rate, associating each bond path present at equilibrium with its rate of occurrence within the input ensemble. We also provide an algorithm, called BondMatcher, for its automatic computation, based on a tailored, geometry-aware partial isomorphism estimation between the extremum graphs of the considered electron densities. Our new stability measure allows for the automatic identification of densities lacking H-bond paths, enabling further visual inspections. Specifically, the topological analysis enabled by our framework corroborates experimental observations and provides refined geometrical criteria for characterizing the disappearance of H-bond paths. Our electron density database and our C++ implementation are available at this address: https://github.com/thom-dani/BondMatcher.


Neural Network-Guided Symbolic Regression for Interpretable Descriptor Discovery in Perovskite Catalysts

Xian, Yeming, Wang, Xiaoming, Yan, Yanfa

arXiv.org Artificial Intelligence

Understanding and predicting the activity of oxide perovskite catalysts for the oxygen evolution reaction (OER) requires descriptors that are both accurate and physically interpretable. While symbolic regression (SR) offers a path to discover such formulas, its performance degrades with high-dimensional inputs and small datasets. We present a two-phase framework that combines neural networks (NN), feature importance analysis, and symbolic regression (SR) to discover interpretable descriptors for OER activity in oxide perovskites. In Phase I, using a small dataset and seven structural features, we reproduce and improve the known μ/t descriptor by engineering composite features and applying symbolic regression, achieving training and validation MAEs of 22.8 and 20.8 meV, respectively. In Phase II, we expand to 164 features, reduce dimensionality, and identify LUMO energy as a key electronic descriptor. A final formula using μ/t, μ/RA, and LUMO energy achieves improved accuracy (training and validation MAEs of 22.1 and 20.6 meV) with strong physical interpretability. Our results demonstrate that NN-guided symbolic regression enables accurate, interpretable, and physically meaningful descriptor discovery in data-scarce regimes, indicating interpretability need not sacrifice accuracy for materials informatics.