There is an emerging interest in generating robust counterfactual explanations that would remain valid if the model is updated or changed even slightly. Towards finding robust counterfactuals, existing literature often assumes that the original model $m$ and the new model $M$ are bounded in the parameter space, i.e., $\|\text{Params}(M){-}\text{Params}(m)\|{<}\Delta$. However, models can often change significantly in the parameter space with little to no change in their predictions or accuracy on the given dataset. In this work, we introduce a mathematical abstraction termed \emph{naturally-occurring} model change, which allows for arbitrary changes in the parameter space such that the change in predictions on points that lie on the data manifold is limited. Next, we propose a measure -- that we call \emph{Stability} -- to quantify the robustness of counterfactuals to potential model changes for differentiable models, e.g., neural networks. Our main contribution is to show that counterfactuals with sufficiently high value of \emph{Stability} as defined by our measure will remain valid after potential ``naturally-occurring'' model changes with high probability (leveraging concentration bounds for Lipschitz function of independent Gaussians). Since our quantification depends on the local Lipschitz constant around a data point which is not always available, we also examine practical relaxations of our proposed measure and demonstrate experimentally how they can be incorporated to find robust counterfactuals for neural networks that are close, realistic, and remain valid after potential model changes. This work also has interesting connections with model multiplicity, also known as, the Rashomon effect.
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The Function-as-a-service (FaaS) computing model has recently seen significant growth especially for highly scalable, event-driven applications. The easy-to-deploy and cost-efficient fine-grained billing of FaaS is highly attractive to big data applications. However, the stateless nature of serverless platforms poses major challenges when supporting stateful I/O intensive workloads such as a lack of native support for stateful execution, state sharing, and inter-function communication. In this paper, we explore the feasibility of performing stateful big data analytics on serverless platforms and improving I/O throughput of functions by using modern storage technologies such as Intel Optane DC Persistent Memory (PMEM). To this end, we propose Marvel, an end-to-end architecture built on top of the popular serverless platform, Apache OpenWhisk and Apache Hadoop. Marvel makes two main contributions: (1) enable stateful function execution on OpenWhisk by maintaining state information in an in-memory caching layer; and (2) provide access to PMEM backed HDFS storage for faster I/O performance. Our evaluation shows that Marvel reduces the overall execution time of big data applications by up to 86.6% compared to current MapReduce implementations on AWS Lambda.
We propose a novel unsupervised object localization method that allows us to explain the predictions of the model by utilizing self-supervised pre-trained models without additional finetuning. Existing unsupervised and self-supervised object localization methods often utilize class-agnostic activation maps or self-similarity maps of a pre-trained model. Although these maps can offer valuable information for localization, their limited ability to explain how the model makes predictions remains challenging. In this paper, we propose a simple yet effective unsupervised object localization method based on representer point selection, where the predictions of the model can be represented as a linear combination of representer values of training points. By selecting representer points, which are the most important examples for the model predictions, our model can provide insights into how the model predicts the foreground object by providing relevant examples as well as their importance. Our method outperforms the state-of-the-art unsupervised and self-supervised object localization methods on various datasets with significant margins and even outperforms recent weakly supervised and few-shot methods.
Ensemble transform Kalman filtering (ETKF) data assimilation is often used to combine available observations with numerical simulations to obtain statistically accurate and reliable state representations in dynamical systems. However, it is well known that the commonly used Gaussian distribution assumption introduces biases for state variables that admit discontinuous profiles, which are prevalent in nonlinear partial differential equations. This investigation designs a new structurally informed non-Gaussian prior that exploits statistical information from the simulated state variables. In particular, we construct a new weighting matrix based on the second moment of the gradient information of the state variable to replace the prior covariance matrix used for model/data compromise in the ETKF data assimilation framework. We further adapt our weighting matrix to include information in discontinuity regions via a clustering technique. Our numerical experiments demonstrate that this new approach yields more accurate estimates than those obtained using ETKF on shallow water equations, even when ETKF is enhanced with inflation and localization techniques.
Volumetric design, also called massing design, is the first and critical step in professional building design which is sequential in nature. As the volumetric design process is complex, the underlying sequential design process encodes valuable information for designers. Many efforts have been made to automatically generate reasonable volumetric designs, but the quality of the generated design solutions varies, and evaluating a design solution requires either a prohibitively comprehensive set of metrics or expensive human expertise. While previous approaches focused on learning only the final design instead of sequential design tasks, we propose to encode the design knowledge from a collection of expert or high-performing design sequences and extract useful representations using transformer-based models. Later we propose to utilize the learned representations for crucial downstream applications such as design preference evaluation and procedural design generation. We develop the preference model by estimating the density of the learned representations whereas we train an autoregressive transformer model for sequential design generation. We demonstrate our ideas by leveraging a novel dataset of thousands of sequential volumetric designs. Our preference model can compare two arbitrarily given design sequences and is almost 90% accurate in evaluation against random design sequences. Our autoregressive model is also capable of autocompleting a volumetric design sequence from a partial design sequence.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
This manuscript portrays optimization as a process. In many practical applications the environment is so complex that it is infeasible to lay out a comprehensive theoretical model and use classical algorithmic theory and mathematical optimization. It is necessary as well as beneficial to take a robust approach, by applying an optimization method that learns as one goes along, learning from experience as more aspects of the problem are observed. This view of optimization as a process has become prominent in varied fields and has led to some spectacular success in modeling and systems that are now part of our daily lives.
Causality can be described in terms of a structural causal model (SCM) that carries information on the variables of interest and their mechanistic relations. For most processes of interest the underlying SCM will only be partially observable, thus causal inference tries to leverage any exposed information. Graph neural networks (GNN) as universal approximators on structured input pose a viable candidate for causal learning, suggesting a tighter integration with SCM. To this effect we present a theoretical analysis from first principles that establishes a novel connection between GNN and SCM while providing an extended view on general neural-causal models. We then establish a new model class for GNN-based causal inference that is necessary and sufficient for causal effect identification. Our empirical illustration on simulations and standard benchmarks validate our theoretical proofs.
Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.
It is always well believed that modeling relationships between objects would be helpful for representing and eventually describing an image. Nevertheless, there has not been evidence in support of the idea on image description generation. In this paper, we introduce a new design to explore the connections between objects for image captioning under the umbrella of attention-based encoder-decoder framework. Specifically, we present Graph Convolutional Networks plus Long Short-Term Memory (dubbed as GCN-LSTM) architecture that novelly integrates both semantic and spatial object relationships into image encoder. Technically, we build graphs over the detected objects in an image based on their spatial and semantic connections. The representations of each region proposed on objects are then refined by leveraging graph structure through GCN. With the learnt region-level features, our GCN-LSTM capitalizes on LSTM-based captioning framework with attention mechanism for sentence generation. Extensive experiments are conducted on COCO image captioning dataset, and superior results are reported when comparing to state-of-the-art approaches. More remarkably, GCN-LSTM increases CIDEr-D performance from 120.1% to 128.7% on COCO testing set.
Script event prediction requires a model to predict the subsequent event given an existing event context. Previous models based on event pairs or event chains cannot make full use of dense event connections, which may limit their capability of event prediction. To remedy this, we propose constructing an event graph to better utilize the event network information for script event prediction. In particular, we first extract narrative event chains from large quantities of news corpus, and then construct a narrative event evolutionary graph (NEEG) based on the extracted chains. NEEG can be seen as a knowledge base that describes event evolutionary principles and patterns. To solve the inference problem on NEEG, we present a scaled graph neural network (SGNN) to model event interactions and learn better event representations. Instead of computing the representations on the whole graph, SGNN processes only the concerned nodes each time, which makes our model feasible to large-scale graphs. By comparing the similarity between input context event representations and candidate event representations, we can choose the most reasonable subsequent event. Experimental results on widely used New York Times corpus demonstrate that our model significantly outperforms state-of-the-art baseline methods, by using standard multiple choice narrative cloze evaluation.
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