CODA: Temporal Domain Generalization via Concept Drift Simulator

In real-world applications, machine learning models often become obsolete due to shifts in the joint distribution arising from underlying temporal trends, a phenomenon known as the "concept drift". Existing works propose model-specific strategies to achieve temporal generalization in the near-future domain. However, the diverse characteristics of real-world datasets necessitate customized prediction model architectures. To this end, there is an urgent demand for a model-agnostic temporal domain generalization approach that maintains generality across diverse data modalities and architectures. In this work, we aim to address the concept drift problem from a data-centric perspective to bypass considering the interaction between data and model. Developing such a framework presents non-trivial challenges: (i) existing generative models struggle to generate out-of-distribution future data, and (ii) precisely capturing the temporal trends of joint distribution along chronological source domains is computationally infeasible. To tackle the challenges, we propose the COncept Drift simulAtor (CODA) framework incorporating a predicted feature correlation matrix to simulate future data for model training. Specifically, CODA leverages feature correlations to represent data characteristics at specific time points, thereby circumventing the daunting computational costs. Experimental results demonstrate that using CODA-generated data as training input effectively achieves temporal domain generalization across different model architectures.

GrowLength: Accelerating LLMs Pretraining by Progressively Growing Training Length

The evolving sophistication and intricacies of Large Language Models (LLMs) yield unprecedented advancements, yet they simultaneously demand considerable computational resources and incur significant costs. To alleviate these challenges, this paper introduces a novel, simple, and effective method named ``\growlength'' to accelerate the pretraining process of LLMs. Our method progressively increases the training length throughout the pretraining phase, thereby mitigating computational costs and enhancing efficiency. For instance, it begins with a sequence length of 128 and progressively extends to 4096. This approach enables models to process a larger number of tokens within limited time frames, potentially boosting their performance. In other words, the efficiency gain is derived from training with shorter sequences optimizing the utilization of resources. Our extensive experiments with various state-of-the-art LLMs have revealed that models trained using our method not only converge more swiftly but also exhibit superior performance metrics compared to those trained with existing methods. Furthermore, our method for LLMs pretraining acceleration does not require any additional engineering efforts, making it a practical solution in the realm of LLMs.

DiscoverPath: A Knowledge Refinement and Retrieval System for Interdisciplinarity on Biomedical Research

The exponential growth in scholarly publications necessitates advanced tools for efficient article retrieval, especially in interdisciplinary fields where diverse terminologies are used to describe similar research. Traditional keyword-based search engines often fall short in assisting users who may not be familiar with specific terminologies. To address this, we present a knowledge graph-based paper search engine for biomedical research to enhance the user experience in discovering relevant queries and articles. The system, dubbed DiscoverPath, employs Named Entity Recognition (NER) and part-of-speech (POS) tagging to extract terminologies and relationships from article abstracts to create a KG. To reduce information overload, DiscoverPath presents users with a focused subgraph containing the queried entity and its neighboring nodes and incorporates a query recommendation system, enabling users to iteratively refine their queries. The system is equipped with an accessible Graphical User Interface that provides an intuitive visualization of the KG, query recommendations, and detailed article information, enabling efficient article retrieval, thus fostering interdisciplinary knowledge exploration. DiscoverPath is open-sourced at https://github.com/ynchuang/DiscoverPath.

DISPEL: Domain Generalization via Domain-Specific Liberating

Domain generalization aims to learn a generalization model that can perform well on unseen test domains by only training on limited source domains. However, existing domain generalization approaches often bring in prediction-irrelevant noise or require the collection of domain labels. To address these challenges, we consider the domain generalization problem from a different perspective by categorizing underlying feature groups into domain-shared and domain-specific features. Nevertheless, the domain-specific features are difficult to be identified and distinguished from the input data. In this work, we propose DomaIn-SPEcific Liberating (DISPEL), a post-processing fine-grained masking approach that can filter out undefined and indistinguishable domain-specific features in the embedding space. Specifically, DISPEL utilizes a mask generator that produces a unique mask for each input data to filter domain-specific features. The DISPEL framework is highly flexible to be applied to any fine-tuned models. We derive a generalization error bound to guarantee the generalization performance by optimizing a designed objective loss. The experimental results on five benchmarks demonstrate DISPEL outperforms existing methods and can further generalize various algorithms.

Towards Assumption-free Bias Mitigation

Despite the impressive prediction ability, machine learning models show discrimination towards certain demographics and suffer from unfair prediction behaviors. To alleviate the discrimination, extensive studies focus on eliminating the unequal distribution of sensitive attributes via multiple approaches. However, due to privacy concerns, sensitive attributes are often either unavailable or missing in real-world scenarios. Therefore, several existing works alleviate the bias without sensitive attributes. Those studies face challenges, either in inaccurate predictions of sensitive attributes or the need to mitigate unequal distribution of manually defined non-sensitive attributes related to bias. The latter requires strong assumptions about the correlation between sensitive and non-sensitive attributes. As data distribution and task goals vary, the strong assumption on non-sensitive attributes may not be valid and require domain expertise. In this work, we propose an assumption-free framework to detect the related attributes automatically by modeling feature interaction for bias mitigation. The proposed framework aims to mitigate the unfair impact of identified biased feature interactions. Experimental results on four real-world datasets demonstrate that our proposed framework can significantly alleviate unfair prediction behaviors by considering biased feature interactions.

Towards Fair Patient-Trial Matching via Patient-Criterion Level Fairness Constraint

Clinical trials are indispensable in developing new treatments, but they face obstacles in patient recruitment and retention, hindering the enrollment of necessary participants. To tackle these challenges, deep learning frameworks have been created to match patients to trials. These frameworks calculate the similarity between patients and clinical trial eligibility criteria, considering the discrepancy between inclusion and exclusion criteria. Recent studies have shown that these frameworks outperform earlier approaches. However, deep learning models may raise fairness issues in patient-trial matching when certain sensitive groups of individuals are underrepresented in clinical trials, leading to incomplete or inaccurate data and potential harm. To tackle the issue of fairness, this work proposes a fair patient-trial matching framework by generating a patient-criterion level fairness constraint. The proposed framework considers the inconsistency between the embedding of inclusion and exclusion criteria among patients of different sensitive groups. The experimental results on real-world patient-trial and patient-criterion matching tasks demonstrate that the proposed framework can successfully alleviate the predictions that tend to be biased.

Mitigating Relational Bias on Knowledge Graphs

Knowledge graph data are prevalent in real-world applications, and knowledge graph neural networks (KGNNs) are essential techniques for knowledge graph representation learning. Although KGNN effectively models the structural information from knowledge graphs, these frameworks amplify the underlying data bias that leads to discrimination towards certain groups or individuals in resulting applications. Additionally, as existing debiasing approaches mainly focus on the entity-wise bias, eliminating the multi-hop relational bias that pervasively exists in knowledge graphs remains an open question. However, it is very challenging to eliminate relational bias due to the sparsity of the paths that generate the bias and the non-linear proximity structure of knowledge graphs. To tackle the challenges, we propose Fair-KGNN, a KGNN framework that simultaneously alleviates multi-hop bias and preserves the proximity information of entity-to-relation in knowledge graphs. The proposed framework is generalizable to mitigate the relational bias for all types of KGNN. We develop two instances of Fair-KGNN incorporating with two state-of-the-art KGNN models, RGCN and CompGCN, to mitigate gender-occupation and nationality-salary bias. The experiments carried out on three benchmark knowledge graph datasets demonstrate that the Fair-KGNN can effectively mitigate unfair situations during representation learning while preserving the predictive performance of KGNN models.

Auto-PINN: Understanding and Optimizing Physics-Informed Neural Architecture

Physics-informed neural networks (PINNs) are revolutionizing science and engineering practice by bringing together the power of deep learning to bear on scientific computation. In forward modeling problems, PINNs are meshless partial differential equation (PDE) solvers that can handle irregular, high-dimensional physical domains. Naturally, the neural architecture hyperparameters have a large impact on the efficiency and accuracy of the PINN solver. However, this remains an open and challenging problem because of the large search space and the difficulty of identifying a proper search objective for PDEs. Here, we propose Auto-PINN, the first systematic, automated hyperparameter optimization approach for PINNs, which employs Neural Architecture Search (NAS) techniques to PINN design. Auto-PINN avoids manually or exhaustively searching the hyperparameter space associated with PINNs. A comprehensive set of pre-experiments using standard PDE benchmarks allows us to probe the structure-performance relationship in PINNs. We find that the different hyperparameters can be decoupled, and that the training loss function of PINNs is a good search objective. Comparison experiments with baseline methods demonstrate that Auto-PINN produces neural architectures with superior stability and accuracy over alternative baselines.