pwc-archive/papers-with-abstracts huggingface dataset:
Beyond Black-Box Predictions: Identifying Marginal Feature Effects in Tabular Transformer Networks
Authors: Anton Thielmann, Arik Reuter, Benjamin Saefken
Date: 2025-04-11 00:00:00

In recent years, deep neural networks have showcased their predictive power across a variety of tasks. Beyond natural language processing, the transformer architecture has proven efficient in addressing tabular data problems and challenges the previously dominant gradient-based decision trees in these areas. However, this predictive power comes at the cost of intelligibility: Marginal feature effects are almost completely lost in the black-box nature of deep tabular transformer networks. Alternative architectures that use the additivity constraints of classical statistical regression models can maintain intelligible marginal feature effects, but often fall short in predictive power compared to their more complex counterparts. To bridge the gap between intelligibility and performance, we propose an adaptation of tabular transformer networks designed to identify marginal feature effects. We provide theoretical justifications that marginal feature effects can be accurately identified, and our ablation study demonstrates that the proposed model efficiently detects these effects, even amidst complex feature interactions. To demonstrate the model's predictive capabilities, we compare it to several interpretable as well as black-box models and find that it can match black-box performances while maintaining intelligibility. The source code is available at https://github.com/OpenTabular/NAMpy.
From Small to Large Language Models: Revisiting the Federalist Papers
Authors: So Won Jeong, Veronika Ročková
Date: 2025-02-25 00:00:00
Tasks: Authorship Attribution, Dimensionality Reduction, Large Language Model, text-classification, Text Classification, Word Embeddings

For a long time, the authorship of the Federalist Papers had been a subject of inquiry and debate, not only by linguists and historians but also by statisticians. In what was arguably the first Bayesian case study, Mosteller and Wallace (1963) provided the first statistical evidence for attributing all disputed papers to Madison. Our paper revisits this historical dataset but from a lens of modern language models, both small and large. We review some of the more popular Large Language Model (LLM) tools and examine them from a statistical point of view in the context of text classification. We investigate whether, without any attempt to fine-tune, the general embedding constructs can be useful for stylometry and attribution. We explain differences between various word/phrase embeddings and discuss how to aggregate them in a document. Contrary to our expectations, we exemplify that dimension expansion with word embeddings may not always be beneficial for attribution relative to dimension reduction with topic embeddings. Our experiments demonstrate that default LLM embeddings (even after manual fine-tuning) may not consistently improve authorship attribution accuracy. Instead, Bayesian analysis with topic embeddings trained on ``function words" yields superior out-of-sample classification performance. This suggests that traditional (small) statistical language models, with their interpretability and solid theoretical foundation, can offer significant advantages in authorship attribution tasks. The code used in this analysis is available at github.com/sowonjeong/slm-to-llm
Beyond Feature Importance: Feature Interactions in Predicting Post-Stroke Rigidity with Graph Explainable AI
Authors: Jiawei Xu, Yonggeon Lee, Anthony Elkommos Youssef, Eunjin Yun, Tinglin Huang, Tianjian Guo, Hamidreza Saber, Rex Ying, Ying Ding
Date: 2025-04-10 00:00:00
Tasks: Feature Importance, Graph Attention, Prognosis

This study addresses the challenge of predicting post-stroke rigidity by emphasizing feature interactions through graph-based explainable AI. Post-stroke rigidity, characterized by increased muscle tone and stiffness, significantly affects survivors' mobility and quality of life. Despite its prevalence, early prediction remains limited, delaying intervention. We analyze 519K stroke hospitalization records from the Healthcare Cost and Utilization Project dataset, where 43% of patients exhibited rigidity. We compare traditional approaches such as Logistic Regression, XGBoost, and Transformer with graph-based models like Graphormer and Graph Attention Network. These graph models inherently capture feature interactions and incorporate intrinsic or post-hoc explainability. Our results show that graph-based methods outperform others (AUROC 0.75), identifying key predictors such as NIH Stroke Scale and APR-DRG mortality risk scores. They also uncover interactions missed by conventional models. This research provides a novel application of graph-based XAI in stroke prognosis, with potential to guide early identification and personalized rehabilitation strategies.
Adaptive Bounded Exploration and Intermediate Actions for Data Debiasing
Authors: Yifan Yang, Yang Liu, Parinaz Naghizadeh
Date: 2025-04-10 00:00:00
Tasks: Fairness

The performance of algorithmic decision rules is largely dependent on the quality of training datasets available to them. Biases in these datasets can raise economic and ethical concerns due to the resulting algorithms' disparate treatment of different groups. In this paper, we propose algorithms for sequentially debiasing the training dataset through adaptive and bounded exploration in a classification problem with costly and censored feedback. Our proposed algorithms balance between the ultimate goal of mitigating the impacts of data biases -- which will in turn lead to more accurate and fairer decisions, and the exploration risks incurred to achieve this goal. Specifically, we propose adaptive bounds to limit the region of exploration, and leverage intermediate actions which provide noisy label information at a lower cost. We analytically show that such exploration can help debias data in certain distributions, investigate how {algorithmic fairness interventions} can work in conjunction with our proposed algorithms, and validate the performance of these algorithms through numerical experiments on synthetic and real-world data.
DrivAer Transformer: A high-precision and fast prediction method for vehicle aerodynamic drag coefficient based on the DrivAerNet++ dataset
Authors: Jiaqi He, Xiangwen Luo, Yiping Wang
Date: 2025-04-11 00:00:00

At the current stage, deep learning-based methods have demonstrated excellent capabilities in evaluating aerodynamic performance, significantly reducing the time and cost required for traditional computational fluid dynamics (CFD) simulations. However, when faced with the task of processing extremely complex three-dimensional (3D) vehicle models, the lack of large-scale datasets and training resources, coupled with the inherent diversity and complexity of the geometry of different vehicle models, means that the prediction accuracy and versatility of these networks are still not up to the level required for current production. In view of the remarkable success of Transformer models in the field of natural language processing and their strong potential in the field of image processing, this study innovatively proposes a point cloud learning framework called DrivAer Transformer (DAT). The DAT structure uses the DrivAerNet++ dataset, which contains high-fidelity CFD data of industrial-standard 3D vehicle shapes. enabling accurate estimation of air drag directly from 3D meshes, thus avoiding the limitations of traditional methods such as 2D image rendering or signed distance fields (SDF). DAT enables fast and accurate drag prediction, driving the evolution of the aerodynamic evaluation process and laying the critical foundation for introducing a data-driven approach to automotive design. The framework is expected to accelerate the vehicle design process and improve development efficiency.
Millions of States: Designing a Scalable MoE Architecture with RWKV-7 Meta-learner
Authors: Liu Xiao, Li Zhiyuan, Lin Yueyu
Date: 2025-04-11 00:00:00

State-based sequence models like RWKV-7 offer a compelling alternative to Transformer architectures, achieving linear complexity while demonstrating greater expressive power in short-context scenarios and enabling state tracking beyond the \(\text{TC}^0\) complexity class. However, RWKV-7 lacks mechanisms for token-parameter interactions and native scalability, limiting its adaptability and growth without retraining. In this paper, we propose \textbf{Meta-State}, a novel extension to RWKV-7 that replaces attention mechanisms with a fully state-driven approach, integrating token-parameter interactions through a \textbf{Self-State Encoder} (SSE) mechanism. The SSE repurposes a portion of the RWKV-7 Weighted Key-Value (WKV) state as transformation weights to encode token-parameter interactions in a linear, state-driven manner without introducing new trainable matrices or softmax operations, while preserving the autoregressive property of token processing. Meta-State supports progressive model scaling by expanding the WKV state and parameter tokens, reusing existing parameters without retraining. Our approach bridges the gap between state-based modeling, token-parameter interactions, and scalable architectures, offering a flexible framework for efficient and adaptable sequence modeling with linear complexity and constant memory usage.
Enabling Automatic Differentiation with Mollified Graph Neural Operators
Authors: Ryan Y. Lin, Julius Berner, Valentin Duruisseaux, David Pitt, Daniel Leibovici, Jean Kossaifi, Kamyar Azizzadenesheli, Anima Anandkumar
Date: 2025-04-11 00:00:00

Physics-informed neural operators offer a powerful framework for learning solution operators of partial differential equations (PDEs) by combining data and physics losses. However, these physics losses rely on derivatives. Computing these derivatives remains challenging, with spectral and finite difference methods introducing approximation errors due to finite resolution. Here, we propose the mollified graph neural operator (mGNO), the first method to leverage automatic differentiation and compute \emph{exact} gradients on arbitrary geometries. This enhancement enables efficient training on irregular grids and varying geometries while allowing seamless evaluation of physics losses at randomly sampled points for improved generalization. For a PDE example on regular grids, mGNO paired with autograd reduced the L2 relative data error by 20x compared to finite differences, although training was slower. It can also solve PDEs on unstructured point clouds seamlessly, using physics losses only, at resolutions vastly lower than those needed for finite differences to be accurate enough. On these unstructured point clouds, mGNO leads to errors that are consistently 2 orders of magnitude lower than machine learning baselines (Meta-PDE) for comparable runtimes, and also delivers speedups from 1 to 3 orders of magnitude compared to the numerical solver for similar accuracy. mGNOs can also be used to solve inverse design and shape optimization problems on complex geometries.
Academic Network Representation via Prediction-Sampling Incorporated Tensor Factorization
Authors: ChunYang Zhang, Xin Liao, Hao Wu
Date: 2025-04-11 00:00:00
Tasks: Representation Learning

Accurate representation to an academic network is of great significance to academic relationship mining like predicting scientific impact. A Latent Factorization of Tensors (LFT) model is one of the most effective models for learning the representation of a target network. However, an academic network is often High-Dimensional and Incomplete (HDI) because the relationships among numerous network entities are impossible to be fully explored, making it difficult for an LFT model to learn accurate representation of the academic network. To address this issue, this paper proposes a Prediction-sampling-based Latent Factorization of Tensors (PLFT) model with two ideas: 1) constructing a cascade LFT architecture to enhance model representation learning ability via learning academic network hierarchical features, and 2) introducing a nonlinear activation-incorporated predicting-sampling strategy to more accurately learn the network representation via generating new academic network data layer by layer. Experimental results from the three real-world academic network datasets show that the PLFT model outperforms existing models when predicting the unexplored relationships among network entities.
An Adaptive Clustering Scheme for Client Selections in Communication-Efficient Federated Learning
Authors: Yan-Ann Chen, Guan-Lin Chen
Date: 2025-04-11 00:00:00
Tasks: Federated Learning, Handwritten Digit Recognition

Federated learning is a novel decentralized learning architecture. During the training process, the client and server must continuously upload and receive model parameters, which consumes a lot of network transmission resources. Some methods use clustering to find more representative customers, select only a part of them for training, and at the same time ensure the accuracy of training. However, in federated learning, it is not trivial to know what the number of clusters can bring the best training result. Therefore, we propose to dynamically adjust the number of clusters to find the most ideal grouping results. It may reduce the number of users participating in the training to achieve the effect of reducing communication costs without affecting the model performance. We verify its experimental results on the non-IID handwritten digit recognition dataset and reduce the cost of communication and transmission by almost 50% compared with traditional federated learning without affecting the accuracy of the model.
DRIP: DRop unImportant data Points -- Enhancing Machine Learning Efficiency with Grad-CAM-Based Real-Time Data Prioritization for On-Device Training
Authors: Marcus Rüb, Daniel Konegen, Axel Sikora, Daniel Mueller-Gritschneder
Date: 2025-04-11 00:00:00
Tasks: Decision Making

Selecting data points for model training is critical in machine learning. Effective selection methods can reduce the labeling effort, optimize on-device training for embedded systems with limited data storage, and enhance the model performance. This paper introduces a novel algorithm that uses Grad-CAM to make online decisions about retaining or discarding data points. Optimized for embedded devices, the algorithm computes a unique DRIP Score to quantify the importance of each data point. This enables dynamic decision-making on whether a data point should be stored for potential retraining or discarded without compromising model performance. Experimental evaluations on four benchmark datasets demonstrate that our approach can match or even surpass the accuracy of models trained on the entire dataset, all while achieving storage savings of up to 39\%. To our knowledge, this is the first algorithm that makes online decisions about data point retention without requiring access to the entire dataset.
Scaling Up On-Device LLMs via Active-Weight Swapping Between DRAM and Flash
Authors: Fucheng Jia, Zewen Wu, Shiqi Jiang, Huiqiang Jiang, Qianxi Zhang, Yuqing Yang, Yunxin Liu, Ju Ren, Deyu Zhang, Ting Cao
Date: 2025-04-11 00:00:00

Large language models (LLMs) are increasingly being deployed on mobile devices, but the limited DRAM capacity constrains the deployable model size. This paper introduces ActiveFlow, the first LLM inference framework that can achieve adaptive DRAM usage for modern LLMs (not ReLU-based), enabling the scaling up of deployable model sizes. The framework is based on the novel concept of active weight DRAM-flash swapping and incorporates three novel techniques: (1) Cross-layer active weights preloading. It uses the activations from the current layer to predict the active weights of several subsequent layers, enabling computation and data loading to overlap, as well as facilitating large I/O transfers. (2) Sparsity-aware self-distillation. It adjusts the active weights to align with the dense-model output distribution, compensating for approximations introduced by contextual sparsity. (3) Active weight DRAM-flash swapping pipeline. It orchestrates the DRAM space allocation among the hot weight cache, preloaded active weights, and computation-involved weights based on available memory. Results show ActiveFlow achieves the performance-cost Pareto frontier compared to existing efficiency optimization methods.
Graph Reduction with Unsupervised Learning in Column Generation: A Routing Application
Authors: Abdo Abouelrous, Laurens Bliek, Adriana F. Gabor, Yaoxin Wu, Yingqian Zhang
Date: 2025-04-11 00:00:00
Tasks: Combinatorial Optimization, Computational Efficiency, Graph Neural Network

Column Generation (CG) is a popular method dedicated to enhancing computational efficiency in large scale Combinatorial Optimization (CO) problems. It reduces the number of decision variables in a problem by solving a pricing problem. For many CO problems, the pricing problem is an Elementary Shortest Path Problem with Resource Constraints (ESPPRC). Large ESPPRC instances are difficult to solve to near-optimality. Consequently, we use a Graph neural Network (GNN) to reduces the size of the ESPPRC such that it becomes computationally tractable with standard solving techniques. Our GNN is trained by Unsupervised Learning and outputs a distribution for the arcs to be retained in the reduced PP. The reduced PP is solved by a local search that finds columns with large reduced costs and speeds up convergence. We apply our method on a set of Capacitated Vehicle Routing Problems with Time Windows and show significant improvements in convergence compared to simple reduction techniques from the literature. For a fixed computational budget, we improve the objective values by over 9\% for larger instances. We also analyze the performance of our CG algorithm and test the generalization of our method to different classes of instances than the training data.
BOISHOMMO: Holistic Approach for Bangla Hate Speech
Authors: Md Abdullah Al Kafi, Sumit Kumar Banshal, Md Sadman Shakib, Showrov Azam, Tamanna Alam Tabashom
Date: 2025-04-11 00:00:00
Tasks: Hate Speech Detection

One of the most alarming issues in digital society is hate speech (HS) on social media. The severity is so high that researchers across the globe are captivated by this domain. A notable amount of work has been conducted to address the identification and alarm system. However, a noticeable gap exists, especially for low-resource languages. Comprehensive datasets are the main problem among the constrained resource languages, such as Bangla. Interestingly, hate speech or any particular speech has no single dimensionality. Similarly, the hate component can simultaneously have multiple abusive attributes, which seems to be missed in the existing datasets. Thus, a multi-label Bangla hate speech dataset named BOISHOMMO has been compiled and evaluated in this work. That includes categories of HS across race, gender, religion, politics, and more. With over two thousand annotated examples, BOISHOMMO provides a nuanced understanding of hate speech in Bangla and highlights the complexities of processing non-Latin scripts. Apart from evaluating with multiple algorithmic approaches, it also highlights the complexities of processing Bangla text and assesses model performance. This unique multi-label approach enriches future hate speech detection and analysis studies for low-resource languages by providing a more nuanced, diverse dataset.
Customizing Spider Silk: Generative Models with Mechanical Property Conditioning for Protein Engineering
Authors: Neeru Dubey, Elin Karlsson, Miguel Angel Redondo, Johan Reimegård, Anna Rising, Hedvig Kjellström
Date: 2025-04-11 00:00:00
Tasks: Protein Language Model

The remarkable mechanical properties of spider silk, including its tensile strength and extensibility, are primarily governed by the repetitive regions of the proteins that constitute the fiber, the major ampullate spidroins (MaSps). However, establishing correlations between mechanical characteristics and repeat sequences is challenging due to the intricate sequence-structure-function relationships of MaSps and the limited availability of annotated datasets. In this study, we present a novel computational framework for designing MaSp repeat sequences with customizable mechanical properties. To achieve this, we developed a lightweight GPT-based generative model by distilling the pre-trained ProtGPT2 protein language model. The distilled model was subjected to multilevel fine-tuning using curated subsets of the Spider Silkome dataset. Specifically, we adapt the model for MaSp repeat generation using 6,000 MaSp repeat sequences and further refine it with 572 repeats associated with experimentally determined fiber-level mechanical properties. Our model generates biologically plausible MaSp repeat regions tailored to specific mechanical properties while also predicting those properties for given sequences. Validation includes sequence-level analysis, assessing physicochemical attributes and expected distribution of key motifs as well as secondary structure compositions. A correlation study using BLAST on the Spider Silkome dataset and a test set of MaSp repeats with known mechanical properties further confirmed the predictive accuracy of the model. This framework advances the rational design of spider silk-inspired biomaterials, offering a versatile tool for engineering protein sequences with tailored mechanical attributes.
A Systematic Evaluation of Knowledge Graph Embeddings for Gene-Disease Association Prediction
Authors: Catarina Canastra, Cátia Pesquita
Date: 2025-04-11 00:00:00
Tasks: Knowledge Graph Embeddings, Knowledge Graphs, Link Prediction, Prediction

Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies and the structure of knowledge graphs. Still, many existing works overlook ontologies explicitly representing diseases, missing causal and semantic relationships between them. The gene-disease association problem naturally frames itself as a link prediction task, where embedding algorithms directly predict associations by exploring the structure and properties of the knowledge graph. Some works frame it as a node-pair classification task, combining embedding algorithms with traditional machine learning algorithms. This strategy aligns with the logic of a machine learning pipeline. However, the use of negative examples and the lack of validated gene-disease associations to train embedding models may constrain its effectiveness. This work introduces a novel framework for comparing the performance of link prediction versus node-pair classification tasks, analyses the performance of state of the art gene-disease association approaches, and compares the different order-based formalizations of gene-disease association prediction. It also evaluates the impact of the semantic richness through a disease-specific ontology and additional links between ontologies. The framework involves five steps: data splitting, knowledge graph integration, embedding, modeling and prediction, and method evaluation. Results show that enriching the semantic representation of diseases slightly improves performance, while additional links generate a greater impact. Link prediction methods better explore the semantic richness encoded in knowledge graphs. Although node-pair classification methods identify all true positives, link prediction methods outperform overall.