Bias originates from both data and algorithmic design, often exacerbated by traditional fairness methods that fail to address the subtle impacts of protected attributes. This study introduces an approach to mitigate bias in machine learning by leveraging model uncertainty. Our approach utilizes a multi-task learning (MTL) framework combined with Monte Carlo (MC) Dropout to assess and mitigate uncertainty in predictions related to protected labels. By incorporating MC Dropout, our framework quantifies prediction uncertainty, which is crucial in areas with vague decision boundaries, thereby enhancing model fairness. Our methodology integrates multi-objective learning through pareto-optimality to balance fairness and performance across various applications. We demonstrate the effectiveness and transferability of our approach across multiple datasets and enhance model explainability through saliency maps to interpret how input features influence predictions, thereby enhancing the interpretability of machine learning models in practical applications.
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Quantum transport calculations are essential for understanding and designing nanoelectronic devices, yet the trade-off between accuracy and computational efficiency has long limited their practical applications. We present a general framework that combines the deep learning tight-binding Hamiltonian (DeePTB) approach with the non-equilibrium Green's Function (NEGF) method, enabling efficient quantum transport calculations while maintaining first-principles accuracy. We demonstrate the capabilities of the DeePTB-NEGF framework through two representative applications: comprehensive simulation of break junction systems, where conductance histograms show good agreement with experimental measurements in both metallic contact and single-molecule junction cases; and simulation of carbon nanotube field effect transistors through self-consistent NEGF-Poisson calculations, capturing essential physics including the electrostatic potential and transfer characteristic curves under finite bias conditions. This framework bridges the gap between first-principles accuracy and computational efficiency, providing a powerful tool for high-throughput quantum transport simulations across different scales in nanoelectronics.
Learning Gaussian Multi-Index Models with Gradient Flow: Time Complexity and Directional Convergence
This work focuses on the gradient flow dynamics of a neural network model that uses correlation loss to approximate a multi-index function on high-dimensional standard Gaussian data. Specifically, the multi-index function we consider is a sum of neurons $f^*(x) \!=\! \sum_{j=1}^k \! \sigma^*(v_j^T x)$ where $v_1, \dots, v_k$ are unit vectors, and $\sigma^*$ lacks the first and second Hermite polynomials in its Hermite expansion. It is known that, for the single-index case ($k\!=\!1$), overcoming the search phase requires polynomial time complexity. We first generalize this result to multi-index functions characterized by vectors in arbitrary directions. After the search phase, it is not clear whether the network neurons converge to the index vectors, or get stuck at a sub-optimal solution. When the index vectors are orthogonal, we give a complete characterization of the fixed points and prove that neurons converge to the nearest index vectors. Therefore, using $n \! \asymp \! k \log k$ neurons ensures finding the full set of index vectors with gradient flow with high probability over random initialization. When $ v_i^T v_j \!=\! \beta \! \geq \! 0$ for all $i \neq j$, we prove the existence of a sharp threshold $\beta_c \!=\! c/(c+k)$ at which the fixed point that computes the average of the index vectors transitions from a saddle point to a minimum. Numerical simulations show that using a correlation loss and a mild overparameterization suffices to learn all of the index vectors when they are nearly orthogonal, however, the correlation loss fails when the dot product between the index vectors exceeds a certain threshold.
While the observability framework Kieker has a low overhead for tracing, its results currently cannot be used in most analysis tools due to lack of interoperability of the data formats. The OpenTelemetry standard aims for standardizing observability data. In this work, we describe how to export Kieker distributed tracing data to OpenTelemetry. This is done using the pipe-and-filter framework TeeTime. For TeeTime, a stage was defined that uses Kieker execution data, which can be created from most record types. We demonstrate the usability of our approach by visualizing trace data of TeaStore in the ExplorViz visualization tool.
Modern software for propositional satisfiability problems gives a powerful automated reasoning toolkit, capable of outputting not only a satisfiable/unsatisfiable signal but also a justification of unsatisfiability in the form of resolution proof (or a more expressive proof), which is commonly used for verification purposes. Empirically, modern SAT solvers produce relatively short proofs, however, there are no inherent guarantees that these proofs cannot be significantly reduced. This paper proposes a novel branch-and-bound algorithm for finding the shortest resolution proofs; to this end, we introduce a layer list representation of proofs that groups clauses by their level of indirection. As we show, this representation breaks all permutational symmetries, thereby improving upon the state-of-the-art symmetry-breaking and informing the design of a novel workflow for proof minimization. In addition to that, we design pruning procedures that reason on proof length lower bound, clause subsumption, and dominance. Our experiments suggest that the proofs from state-of-the-art solvers could be shortened by 30-60% on the instances from SAT Competition 2002 and by 25-50% on small synthetic formulas. When treated as an algorithm for finding the shortest proof, our approach solves twice as many instances as the previous work based on SAT solving and reduces the time to optimality by orders of magnitude for the instances solved by both approaches.
Relation extraction as an important natural Language processing (NLP) task is to identify relations between named entities in text. Recently, graph convolutional networks over dependency trees have been widely used to capture syntactic features and achieved attractive performance. However, most existing dependency-based approaches ignore the positive influence of the words outside the dependency trees, sometimes conveying rich and useful information on relation extraction. In this paper, we propose a novel model, Entity-aware Self-attention Contextualized GCN (ESC-GCN), which efficiently incorporates syntactic structure of input sentences and semantic context of sequences. To be specific, relative position self-attention obtains the overall semantic pairwise correlation related to word position, and contextualized graph convolutional networks capture rich intra-sentence dependencies between words by adequately pruning operations. Furthermore, entity-aware attention layer dynamically selects which token is more decisive to make final relation prediction. In this way, our proposed model not only reduces the noisy impact from dependency trees, but also obtains easily-ignored entity-related semantic representation. Extensive experiments on various tasks demonstrate that our model achieves encouraging performance as compared to existing dependency-based and sequence-based models. Specially, our model excels in extracting relations between entities of long sentences.
The success of AI models relies on the availability of large, diverse, and high-quality datasets, which can be challenging to obtain due to data scarcity, privacy concerns, and high costs. Synthetic data has emerged as a promising solution by generating artificial data that mimics real-world patterns. This paper provides an overview of synthetic data research, discussing its applications, challenges, and future directions. We present empirical evidence from prior art to demonstrate its effectiveness and highlight the importance of ensuring its factuality, fidelity, and unbiasedness. We emphasize the need for responsible use of synthetic data to build more powerful, inclusive, and trustworthy language models.
Multi-modal 3D scene understanding has gained considerable attention due to its wide applications in many areas, such as autonomous driving and human-computer interaction. Compared to conventional single-modal 3D understanding, introducing an additional modality not only elevates the richness and precision of scene interpretation but also ensures a more robust and resilient understanding. This becomes especially crucial in varied and challenging environments where solely relying on 3D data might be inadequate. While there has been a surge in the development of multi-modal 3D methods over past three years, especially those integrating multi-camera images (3D+2D) and textual descriptions (3D+language), a comprehensive and in-depth review is notably absent. In this article, we present a systematic survey of recent progress to bridge this gap. We begin by briefly introducing a background that formally defines various 3D multi-modal tasks and summarizes their inherent challenges. After that, we present a novel taxonomy that delivers a thorough categorization of existing methods according to modalities and tasks, exploring their respective strengths and limitations. Furthermore, comparative results of recent approaches on several benchmark datasets, together with insightful analysis, are offered. Finally, we discuss the unresolved issues and provide several potential avenues for future research.
Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the attributes and/or structures of the graph. In recent years, graph neural networks (GNNs) have been studied extensively and have successfully performed difficult machine learning tasks in node classification, link prediction, and graph classification thanks to the highly expressive capability via message passing in effectively learning graph representations. To solve the graph anomaly detection problem, GNN-based methods leverage information about the graph attributes (or features) and/or structures to learn to score anomalies appropriately. In this survey, we review the recent advances made in detecting graph anomalies using GNN models. Specifically, we summarize GNN-based methods according to the graph type (i.e., static and dynamic), the anomaly type (i.e., node, edge, subgraph, and whole graph), and the network architecture (e.g., graph autoencoder, graph convolutional network). To the best of our knowledge, this survey is the first comprehensive review of graph anomaly detection methods based on GNNs.
Existing recommender systems extract the user preference based on learning the correlation in data, such as behavioral correlation in collaborative filtering, feature-feature, or feature-behavior correlation in click-through rate prediction. However, regretfully, the real world is driven by causality rather than correlation, and correlation does not imply causation. For example, the recommender systems can recommend a battery charger to a user after buying a phone, in which the latter can serve as the cause of the former, and such a causal relation cannot be reversed. Recently, to address it, researchers in recommender systems have begun to utilize causal inference to extract causality, enhancing the recommender system. In this survey, we comprehensively review the literature on causal inference-based recommendation. At first, we present the fundamental concepts of both recommendation and causal inference as the basis of later content. We raise the typical issues that the non-causality recommendation is faced. Afterward, we comprehensively review the existing work of causal inference-based recommendation, based on a taxonomy of what kind of problem causal inference addresses. Last, we discuss the open problems in this important research area, along with interesting future works.
Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.
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