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 structural model


Pre-Training Estimators for Structural Models: Application to Consumer Search

Wei, Yanhao 'Max', Jiang, Zhenling

arXiv.org Artificial Intelligence

We develop pre-trained estimators for structural econometric models. The estimator uses a neural net to recognize the structural model's parameter from data patterns. Once trained, the estimator can be shared and applied to different datasets at negligible cost and effort. Under sufficient training, the estimator converges to the Bayesian posterior given the data patterns. As an illustration, we construct a pretrained estimator for a sequential search model (available at pnnehome.github.io). Estimation takes only seconds and achieves high accuracy on 12 real datasets. More broadly, pretrained estimators can make structural models much easier to use and more accessible.


Forecasting Treatment Responses Over Time Using Recurrent Marginal Structural Networks

Bryan Lim

Neural Information Processing Systems

Electronic health records provide a rich source of data for machine learning methods to learn dynamic treatment responses over time.


Forecasting Treatment Responses Over Time Using Recurrent Marginal Structural Networks

Bryan Lim

Neural Information Processing Systems

Electronic health records provide a rich source of data for machine learning methods to learn dynamic treatment responses over time.


Probabilistic Machine Learning for Uncertainty-Aware Diagnosis of Industrial Systems

Mohammadi, Arman, Krysander, Mattias, Jung, Daniel, Frisk, Erik

arXiv.org Artificial Intelligence

Deep neural networks has been increasingly applied in fault diagnostics, where it uses historical data to capture systems behavior, bypassing the need for high-fidelity physical models. However, despite their competence in prediction tasks, these models often struggle with the evaluation of their confidence. This matter is particularly important in consistency-based diagnosis where decision logic is highly sensitive to false alarms. To address this challenge, this work presents a diagnostic framework that uses ensemble probabilistic machine learning to improve diagnostic characteristics of data driven consistency based diagnosis by quantifying and automating the prediction uncertainty. The proposed method is evaluated across several case studies using both ablation and comparative analyses, showing consistent improvements across a range of diagnostic metrics.


PSBench: a large-scale benchmark for estimating the accuracy of protein complex structural models

Neupane, Pawan, Liu, Jian, Cheng, Jianlin

arXiv.org Artificial Intelligence

Predicting protein complex structures is essential for protein function analysis, protein design, and drug discovery. While AI methods like AlphaFold can predict accurate structural models for many protein complexes, reliably estimating the quality of these predicted models (estimation of model accuracy, or EMA) for model ranking and selection remains a major challenge. A key barrier to developing effective machine learning-based EMA methods is the lack of large, diverse, and well-annotated datasets for training and evaluation. To address this gap, we introduce PSBench, a benchmark suite comprising four large-scale, labeled datasets generated during the 15th and 16th community-wide Critical Assessment of Protein Structure Prediction (CASP15 and CASP16). PSBench includes over one million structural models covering a wide range of protein sequence lengths, complex stoichiometries, functional classes, and modeling difficulties. Each model is annotated with multiple complementary quality scores at the global, local, and interface levels. PSBench also provides multiple evaluation metrics and baseline EMA methods to facilitate rigorous comparisons. To demonstrate PSBench's utility, we trained and evaluated GATE, a graph transformer-based EMA method, on the CASP15 data. GATE was blindly tested in CASP16 (2024), where it ranked among the top-performing EMA methods. These results highlight PSBench as a valuable resource for advancing EMA research in protein complex modeling. PSBench is publicly available at: https://github.com/BioinfoMachineLearning/PSBench.


Comparing Causal Frameworks: Potential Outcomes, Structural Models, Graphs, and Abstractions

Neural Information Processing Systems

The aim of this paper is to make clear and precise the relationship between the Rubin causal model (RCM) and structural causal model (SCM) frameworks for causal inference. Adopting a neutral logical perspective, and drawing on previous work, we show what is required for an RCM to be representable by an SCM. A key result then shows that every RCM---including those that violate algebraic principles implied by the SCM framework---emerges as an abstraction of some representable RCM. Finally, we illustrate the power of this ameliorative perspective by pinpointing an important role for SCM principles in classic applications of RCMs; conversely, we offer a characterization of the algebraic constraints implied by a graph, helping to substantiate further comparisons between the two frameworks.


Enhancing Federated Graph Learning via Adaptive Fusion of Structural and Node Characteristics

Gao, Xianjun, Liu, Jianchun, Xu, Hongli, Wang, Shilong, Huang, Liusheng

arXiv.org Artificial Intelligence

Federated Graph Learning (FGL) has demonstrated the advantage of training a global Graph Neural Network (GNN) model across distributed clients using their local graph data. Unlike Euclidean data (\eg, images), graph data is composed of nodes and edges, where the overall node-edge connections determine the topological structure, and individual nodes along with their neighbors capture local node features. However, existing studies tend to prioritize one aspect over the other, leading to an incomplete understanding of the data and the potential misidentification of key characteristics across varying graph scenarios. Additionally, the non-independent and identically distributed (non-IID) nature of graph data makes the extraction of these two data characteristics even more challenging. To address the above issues, we propose a novel FGL framework, named FedGCF, which aims to simultaneously extract and fuse structural properties and node features to effectively handle diverse graph scenarios. FedGCF first clusters clients by structural similarity, performing model aggregation within each cluster to form the shared structural model. Next, FedGCF selects the clients with common node features and aggregates their models to generate a common node model. This model is then propagated to all clients, allowing common node features to be shared. By combining these two models with a proper ratio, FedGCF can achieve a comprehensive understanding of the graph data and deliver better performance, even under non-IID distributions. Experimental results show that FedGCF improves accuracy by 4.94%-7.24% under different data distributions and reduces communication cost by 64.18%-81.25% to reach the same accuracy compared to baselines.


What makes a good BIM design: quantitative linking between design behavior and quality

Ni, Xiang-Rui, Pan, Peng, Lin, Jia-Rui

arXiv.org Artificial Intelligence

In the Architecture Engineering & Construction (AEC) industry, how design behaviors impact design quality remains unclear. This study proposes a novel approach, which, for the first time, identifies and quantitatively describes the relationship between design behaviors and quality of design based on Building Information Modeling (BIM). Real-time collection and log mining are integrated to collect raw data of design behaviors. Feature engineering and various machine learning models are then utilized for quantitative modeling and interpretation. Results confirm an existing quantifiable relationship which can be learned by various models. The best-performing model using Extremely Random Trees achieved an R2 value of 0.88 on the test set. Behavioral features related to designer's skill level and changes of design intentions are identified to have significant impacts on design quality. These findings deepen our understanding of the design process and help forming BIM designs with better quality.


Daisy-TTS: Simulating Wider Spectrum of Emotions via Prosody Embedding Decomposition

Chevi, Rendi, Aji, Alham Fikri

arXiv.org Artificial Intelligence

We often verbally express emotions in a multifaceted manner, they may vary in their intensities and may be expressed not just as a single but as a mixture of emotions. This wide spectrum of emotions is well-studied in the structural model of emotions, which represents variety of emotions as derivative products of primary emotions with varying degrees of intensity. In this paper, we propose an emotional text-to-speech design to simulate a wider spectrum of emotions grounded on the structural model. Our proposed design, Daisy-TTS, incorporates a prosody encoder to learn emotionally-separable prosody embedding as a proxy for emotion. This emotion representation allows the model to simulate: (1) Primary emotions, as learned from the training samples, (2) Secondary emotions, as a mixture of primary emotions, (3) Intensity-level, by scaling the emotion embedding, and (4) Emotions polarity, by negating the emotion embedding. Through a series of perceptual evaluations, Daisy-TTS demonstrated overall higher emotional speech naturalness and emotion perceiveability compared to the baseline.


ChatGPT in Classrooms: Transforming Challenges into Opportunities in Education

Munawar, Harris Bin, Misirlis, Nikolaos

arXiv.org Artificial Intelligence

In the era of exponential technology growth, one unexpected guest has claimed a seat in classrooms worldwide, Artificial Intelligence. Generative AI, such as ChatGPT, promises a revolution in education, yet it arrives with a double-edged sword. Its potential for personalized learning is offset by issues of cheating, inaccuracies, and educators struggling to incorporate it effectively into their lesson design. We are standing on the brink of this educational frontier, and it is clear that we need to navigate this terrain with a lot of care. This is a major challenge that could undermine the integrity and value of our educational process. So, how can we turn these challenges into opportunities? When used inappropriately, AI tools can become the perfect tool for the cut copy paste mentality, and quickly begin to corrode critical thinking, creativity, and deep understanding, the most important skills in our rapidly changing world. Teachers feel that they are not equipped to leverage this technology, widening the digital divide among educators and institutions. Addressing these concerns calls for an in depth research approach. We will employ empirical research, drawing on the Technology Acceptance Model, to assess the attitudes toward generative AI among educators and students. Understanding their perceptions, usage patterns, and hurdles is the first crucial step in creating an effective solution. The present study will be used as a process manual for future researchers to apply, running their own data, based on the steps explained here