As the complexity of machine learning (ML) models increases and the applications in different (and critical) domains grow, there is a strong demand for more interpretable and trustworthy ML. One straightforward and model-agnostic way to interpret complex ML models is to train surrogate models, such as rule sets and decision trees, that sufficiently approximate the original ones while being simpler and easier-to-explain. Yet, rule sets can become very lengthy, with many if-else statements, and decision tree depth grows rapidly when accurately emulating complex ML models. In such cases, both approaches can fail to meet their core goal, providing users with model interpretability. We tackle this by proposing DeforestVis, a visual analytics tool that offers user-friendly summarization of the behavior of complex ML models by providing surrogate decision stumps (one-level decision trees) generated with the adaptive boosting (AdaBoost) technique. Our solution helps users to explore the complexity vs fidelity trade-off by incrementally generating more stumps, creating attribute-based explanations with weighted stumps to justify decision making, and analyzing the impact of rule overriding on training instance allocation between one or more stumps. An independent test set allows users to monitor the effectiveness of manual rule changes and form hypotheses based on case-by-case investigations. We show the applicability and usefulness of DeforestVis with two use cases and expert interviews with data analysts and model developers.
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Activation functions are the linchpins of deep learning, profoundly influencing both the representational capacity and training dynamics of neural networks. They shape not only the nature of representations but also optimize convergence rates and enhance generalization potential. Appreciating this critical role, we present the Linear Oscillation (LoC) activation function, defined as $f(x) = x \times \sin(\alpha x + \beta)$. Distinct from conventional activation functions which primarily introduce non-linearity, LoC seamlessly blends linear trajectories with oscillatory deviations. The nomenclature ``Linear Oscillation'' is a nod to its unique attribute of infusing linear activations with harmonious oscillations, capturing the essence of the 'Importance of Confusion'. This concept of ``controlled confusion'' within network activations is posited to foster more robust learning, particularly in contexts that necessitate discerning subtle patterns. Our empirical studies reveal that, when integrated into diverse neural architectures, the LoC activation function consistently outperforms established counterparts like ReLU and Sigmoid. The stellar performance exhibited by the avant-garde Vision Transformer model using LoC further validates its efficacy. This study illuminates the remarkable benefits of the LoC over other prominent activation functions. It champions the notion that intermittently introducing deliberate complexity or ``confusion'' during training can spur more profound and nuanced learning. This accentuates the pivotal role of judiciously selected activation functions in shaping the future of neural network training.
Computing the Jacobian of the solution of an optimization problem is a central problem in machine learning, with applications in hyperparameter optimization, meta-learning, optimization as a layer, and dataset distillation, to name a few. Unrolled differentiation is a popular heuristic that approximates the solution using an iterative solver and differentiates it through the computational path. This work provides a non-asymptotic convergence-rate analysis of this approach on quadratic objectives for gradient descent and the Chebyshev method. We show that to ensure convergence of the Jacobian, we can either 1) choose a large learning rate leading to a fast asymptotic convergence but accept that the algorithm may have an arbitrarily long burn-in phase or 2) choose a smaller learning rate leading to an immediate but slower convergence. We refer to this phenomenon as the curse of unrolling. Finally, we discuss open problems relative to this approach, such as deriving a practical update rule for the optimal unrolling strategy and making novel connections with the field of Sobolev orthogonal polynomials.
In the field of phase change phenomena, the lack of accessible and diverse datasets suitable for machine learning (ML) training poses a significant challenge. Existing experimental datasets are often restricted, with limited availability and sparse ground truth data, impeding our understanding of this complex multiphysics phenomena. To bridge this gap, we present the BubbleML Dataset \footnote{\label{git_dataset}\url{//github.com/HPCForge/BubbleML}} which leverages physics-driven simulations to provide accurate ground truth information for various boiling scenarios, encompassing nucleate pool boiling, flow boiling, and sub-cooled boiling. This extensive dataset covers a wide range of parameters, including varying gravity conditions, flow rates, sub-cooling levels, and wall superheat, comprising 79 simulations. BubbleML is validated against experimental observations and trends, establishing it as an invaluable resource for ML research. Furthermore, we showcase its potential to facilitate exploration of diverse downstream tasks by introducing two benchmarks: (a) optical flow analysis to capture bubble dynamics, and (b) operator networks for learning temperature dynamics. The BubbleML dataset and its benchmarks serve as a catalyst for advancements in ML-driven research on multiphysics phase change phenomena, enabling the development and comparison of state-of-the-art techniques and models.
With the growing use of machine learning (ML) models in critical domains such as finance and healthcare, the need to offer recourse for those adversely affected by the decisions of ML models has become more important; individuals ought to be provided with recommendations on actions to take for improving their situation and thus receive a favorable decision. Prior work on sequential algorithmic recourse -- which recommends a series of changes -- focuses on action feasibility and uses the proximity of feature changes to determine action costs. However, the uncertainties of feature changes and the risk of higher than average costs in recourse have not been considered. It is undesirable if a recourse could (with some probability) result in a worse situation from which recovery requires an extremely high cost. It is essential to incorporate risks when computing and evaluating recourse. We call the recourse computed with such risk considerations as Safer Algorithmic Recourse (SafeAR). The objective is to empower people to choose a recourse based on their risk tolerance. In this work, we discuss and show how existing recourse desiderata can fail to capture the risk of higher costs. We present a method to compute recourse policies that consider variability in cost and connect algorithmic recourse literature with risk-sensitive reinforcement learning. We also adopt measures ``Value at Risk'' and ``Conditional Value at Risk'' from the financial literature to summarize risk concisely. We apply our method to two real-world datasets and compare policies with different levels of risk-aversion using risk measures and recourse desiderata (sparsity and proximity).
Recent advances of data-driven machine learning have revolutionized fields like computer vision, reinforcement learning, and many scientific and engineering domains. In many real-world and scientific problems, systems that generate data are governed by physical laws. Recent work shows that it provides potential benefits for machine learning models by incorporating the physical prior and collected data, which makes the intersection of machine learning and physics become a prevailing paradigm. In this survey, we present this learning paradigm called Physics-Informed Machine Learning (PIML) which is to build a model that leverages empirical data and available physical prior knowledge to improve performance on a set of tasks that involve a physical mechanism. We systematically review the recent development of physics-informed machine learning from three perspectives of machine learning tasks, representation of physical prior, and methods for incorporating physical prior. We also propose several important open research problems based on the current trends in the field. We argue that encoding different forms of physical prior into model architectures, optimizers, inference algorithms, and significant domain-specific applications like inverse engineering design and robotic control is far from fully being explored in the field of physics-informed machine learning. We believe that this study will encourage researchers in the machine learning community to actively participate in the interdisciplinary research of physics-informed machine learning.
In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.
The incredible development of federated learning (FL) has benefited various tasks in the domains of computer vision and natural language processing, and the existing frameworks such as TFF and FATE has made the deployment easy in real-world applications. However, federated graph learning (FGL), even though graph data are prevalent, has not been well supported due to its unique characteristics and requirements. The lack of FGL-related framework increases the efforts for accomplishing reproducible research and deploying in real-world applications. Motivated by such strong demand, in this paper, we first discuss the challenges in creating an easy-to-use FGL package and accordingly present our implemented package FederatedScope-GNN (FS-G), which provides (1) a unified view for modularizing and expressing FGL algorithms; (2) comprehensive DataZoo and ModelZoo for out-of-the-box FGL capability; (3) an efficient model auto-tuning component; and (4) off-the-shelf privacy attack and defense abilities. We validate the effectiveness of FS-G by conducting extensive experiments, which simultaneously gains many valuable insights about FGL for the community. Moreover, we employ FS-G to serve the FGL application in real-world E-commerce scenarios, where the attained improvements indicate great potential business benefits. We publicly release FS-G, as submodules of FederatedScope, at //github.com/alibaba/FederatedScope to promote FGL's research and enable broad applications that would otherwise be infeasible due to the lack of a dedicated package.
Influenced by the stunning success of deep learning in computer vision and language understanding, research in recommendation has shifted to inventing new recommender models based on neural networks. In recent years, we have witnessed significant progress in developing neural recommender models, which generalize and surpass traditional recommender models owing to the strong representation power of neural networks. In this survey paper, we conduct a systematic review on neural recommender models, aiming to summarize the field to facilitate future progress. Distinct from existing surveys that categorize existing methods based on the taxonomy of deep learning techniques, we instead summarize the field from the perspective of recommendation modeling, which could be more instructive to researchers and practitioners working on recommender systems. Specifically, we divide the work into three types based on the data they used for recommendation modeling: 1) collaborative filtering models, which leverage the key source of user-item interaction data; 2) content enriched models, which additionally utilize the side information associated with users and items, like user profile and item knowledge graph; and 3) context enriched models, which account for the contextual information associated with an interaction, such as time, location, and the past interactions. After reviewing representative works for each type, we finally discuss some promising directions in this field, including benchmarking recommender systems, graph reasoning based recommendation models, and explainable and fair recommendations for social good.
The canonical approach to video-and-language learning (e.g., video question answering) dictates a neural model to learn from offline-extracted dense video features from vision models and text features from language models. These feature extractors are trained independently and usually on tasks different from the target domains, rendering these fixed features sub-optimal for downstream tasks. Moreover, due to the high computational overload of dense video features, it is often difficult (or infeasible) to plug feature extractors directly into existing approaches for easy finetuning. To provide a remedy to this dilemma, we propose a generic framework ClipBERT that enables affordable end-to-end learning for video-and-language tasks, by employing sparse sampling, where only a single or a few sparsely sampled short clips from a video are used at each training step. Experiments on text-to-video retrieval and video question answering on six datasets demonstrate that ClipBERT outperforms (or is on par with) existing methods that exploit full-length videos, suggesting that end-to-end learning with just a few sparsely sampled clips is often more accurate than using densely extracted offline features from full-length videos, proving the proverbial less-is-more principle. Videos in the datasets are from considerably different domains and lengths, ranging from 3-second generic domain GIF videos to 180-second YouTube human activity videos, showing the generalization ability of our approach. Comprehensive ablation studies and thorough analyses are provided to dissect what factors lead to this success. Our code is publicly available at //github.com/jayleicn/ClipBERT
Neural machine translation (NMT) is a deep learning based approach for machine translation, which yields the state-of-the-art translation performance in scenarios where large-scale parallel corpora are available. Although the high-quality and domain-specific translation is crucial in the real world, domain-specific corpora are usually scarce or nonexistent, and thus vanilla NMT performs poorly in such scenarios. Domain adaptation that leverages both out-of-domain parallel corpora as well as monolingual corpora for in-domain translation, is very important for domain-specific translation. In this paper, we give a comprehensive survey of the state-of-the-art domain adaptation techniques for NMT.
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