Importance sampling is a central idea underlying off-policy prediction in reinforcement learning. It provides a strategy for re-weighting samples from a distribution to obtain unbiased estimates under another distribution. However, importance sampling weights tend to exhibit extreme variance, often leading to stability issues in practice. In this work, we consider a broader class of importance weights to correct samples in off-policy learning. We propose the use of $\textit{value-aware importance weights}$ which take into account the sample space to provide lower variance, but still unbiased, estimates under a target distribution. We derive how such weights can be computed, and detail key properties of the resulting importance weights. We then extend several reinforcement learning prediction algorithms to the off-policy setting with these weights, and evaluate them empirically.
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With the success of self-supervised learning, multimodal foundation models have rapidly adapted a wide range of downstream tasks driven by vision and language (VL) pretraining. State-of-the-art methods achieve impressive performance by pre-training on large-scale datasets. However, bridging the semantic gap between the two modalities remains a nonnegligible challenge for VL tasks. In this work, we propose an efficient computation framework for multimodal alignment by introducing a novel visual semantic module to further improve the performance of the VL tasks. Specifically, we propose a flexible model, namely Artificial-Spiking Hierarchical Networks (ASH-Nets), which combines the complementary advantages of Artificial neural networks (ANNs) and Spiking neural networks (SNNs) to enrich visual semantic representations. In particular, a visual concrete encoder and a semantic abstract encoder are constructed to learn continuous and discrete latent variables to enhance the flexibility of semantic encoding. Considering the spatio-temporal properties of SNNs modeling, we introduce a contrastive learning method to optimize the inputs of similar samples. This can improve the computational efficiency of the hierarchical network, while the augmentation of hard samples is beneficial to the learning of visual representations. Furthermore, the Spiking to Text Uni-Alignment Learning (STUA) pre-training method is proposed, which only relies on text features to enhance the encoding ability of abstract semantics. We validate the performance on multiple well-established downstream VL tasks. Experiments show that the proposed ASH-Nets achieve competitive results.
The field of generating recommendations within the framework of causal inference has seen a recent surge, with recommendations being likened to treatments. This approach enhances insights into the influence of recommendations on user behavior and helps in identifying the underlying factors. Existing research has often leveraged propensity scores to mitigate bias, albeit at the risk of introducing additional variance. Others have explored the use of unbiased data from randomized controlled trials, although this comes with assumptions that may prove challenging in practice. In this paper, we first present the causality-aware interpretation of recommendations and reveal how the underlying exposure mechanism can bias the maximum likelihood estimation (MLE) of observational feedback. Recognizing that confounders may be elusive, we propose a contrastive self-supervised learning to minimize exposure bias, employing inverse propensity scores and expanding the positive sample set. Building on this foundation, we present a novel contrastive counterfactual learning method (CCL) that incorporates three unique positive sampling strategies grounded in estimated exposure probability or random counterfactual samples. Through extensive experiments on two real-world datasets, we demonstrate that our CCL outperforms the state-of-the-art methods.
Deep learning-based surrogate models have been widely applied in geological carbon storage (GCS) problems to accelerate the prediction of reservoir pressure and CO2 plume migration. Large amounts of data from physics-based numerical simulators are required to train a model to accurately predict the complex physical behaviors associated with this process. In practice, the available training data are always limited in large-scale 3D problems due to the high computational cost. Therefore, we propose to use a multi-fidelity Fourier Neural Operator to solve large-scale GCS problems with more affordable multi-fidelity training datasets. The Fourier Neural Operator has a desirable grid-invariant property, which simplifies the transfer learning procedure between datasets with different discretization. We first test the model efficacy on a GCS reservoir model being discretized into 110k grid cells. The multi-fidelity model can predict with accuracy comparable to a high-fidelity model trained with the same amount of high-fidelity data with 81% less data generation costs. We further test the generalizability of the multi-fidelity model on a same reservoir model with a finer discretization of 1 million grid cells. This case was made more challenging by employing high-fidelity and low-fidelity datasets generated by different geostatistical models and reservoir simulators. We observe that the multi-fidelity FNO model can predict pressure fields with reasonable accuracy even when the high-fidelity data are extremely limited.
Causal Adversarial Perturbations for Individual Fairness and Robustness in Heterogeneous Data Spaces
As responsible AI gains importance in machine learning algorithms, properties such as fairness, adversarial robustness, and causality have received considerable attention in recent years. However, despite their individual significance, there remains a critical gap in simultaneously exploring and integrating these properties. In this paper, we propose a novel approach that examines the relationship between individual fairness, adversarial robustness, and structural causal models in heterogeneous data spaces, particularly when dealing with discrete sensitive attributes. We use causal structural models and sensitive attributes to create a fair metric and apply it to measure semantic similarity among individuals. By introducing a novel causal adversarial perturbation and applying adversarial training, we create a new regularizer that combines individual fairness, causality, and robustness in the classifier. Our method is evaluated on both real-world and synthetic datasets, demonstrating its effectiveness in achieving an accurate classifier that simultaneously exhibits fairness, adversarial robustness, and causal awareness.
Molecule representation learning underpins diverse downstream applications such as molecular property and side effect understanding and prediction. In this paper, we recognize the two-level structure of individual molecule as having intrinsic graph structure as well as being a node in a large molecule knowledge graph, and present GODE, a new approach that seamlessly integrates graph representations of individual molecules with multi-domain biomedical data from knowledge graphs. By pre-training two graph neural networks (GNNs) on different graph structures, combined with contrastive learning, GODE adeptly fuses molecular structures with their corresponding knowledge graph substructures. This fusion results in a more robust and informative representation, enhancing molecular property prediction by harnessing both chemical and biological information. Finetuned on 11 chemical property tasks, our model surpasses benchmarks, achieving an average ROC-AUC improvement of 14.5%, 9.8%, and 7.3% on BBBP, SIDER, and Tox21 datasets. In regression tasks on ESOL and QM7 datasets, we achieve average improvements of 21.0% and 29.6% improvements in RMSE and MAE, setting a new field benchmark.
Despite the recent progress in deep learning, most approaches still go for a silo-like solution, focusing on learning each task in isolation: training a separate neural network for each individual task. Many real-world problems, however, call for a multi-modal approach and, therefore, for multi-tasking models. Multi-task learning (MTL) aims to leverage useful information across tasks to improve the generalization capability of a model. This thesis is concerned with multi-task learning in the context of computer vision. First, we review existing approaches for MTL. Next, we propose several methods that tackle important aspects of multi-task learning. The proposed methods are evaluated on various benchmarks. The results show several advances in the state-of-the-art of multi-task learning. Finally, we discuss several possibilities for future work.
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.
Meta-learning extracts the common knowledge acquired from learning different tasks and uses it for unseen tasks. It demonstrates a clear advantage on tasks that have insufficient training data, e.g., few-shot learning. In most meta-learning methods, tasks are implicitly related via the shared model or optimizer. In this paper, we show that a meta-learner that explicitly relates tasks on a graph describing the relations of their output dimensions (e.g., classes) can significantly improve the performance of few-shot learning. This type of graph is usually free or cheap to obtain but has rarely been explored in previous works. We study the prototype based few-shot classification, in which a prototype is generated for each class, such that the nearest neighbor search between the prototypes produces an accurate classification. We introduce "Gated Propagation Network (GPN)", which learns to propagate messages between prototypes of different classes on the graph, so that learning the prototype of each class benefits from the data of other related classes. In GPN, an attention mechanism is used for the aggregation of messages from neighboring classes, and a gate is deployed to choose between the aggregated messages and the message from the class itself. GPN is trained on a sequence of tasks from many-shot to few-shot generated by subgraph sampling. During training, it is able to reuse and update previously achieved prototypes from the memory in a life-long learning cycle. In experiments, we change the training-test discrepancy and test task generation settings for thorough evaluations. GPN outperforms recent meta-learning methods on two benchmark datasets in all studied cases.
Most deep learning-based models for speech enhancement have mainly focused on estimating the magnitude of spectrogram while reusing the phase from noisy speech for reconstruction. This is due to the difficulty of estimating the phase of clean speech. To improve speech enhancement performance, we tackle the phase estimation problem in three ways. First, we propose Deep Complex U-Net, an advanced U-Net structured model incorporating well-defined complex-valued building blocks to deal with complex-valued spectrograms. Second, we propose a polar coordinate-wise complex-valued masking method to reflect the distribution of complex ideal ratio masks. Third, we define a novel loss function, weighted source-to-distortion ratio (wSDR) loss, which is designed to directly correlate with a quantitative evaluation measure. Our model was evaluated on a mixture of the Voice Bank corpus and DEMAND database, which has been widely used by many deep learning models for speech enhancement. Ablation experiments were conducted on the mixed dataset showing that all three proposed approaches are empirically valid. Experimental results show that the proposed method achieves state-of-the-art performance in all metrics, outperforming previous approaches by a large margin.
Recently, ensemble has been applied to deep metric learning to yield state-of-the-art results. Deep metric learning aims to learn deep neural networks for feature embeddings, distances of which satisfy given constraint. In deep metric learning, ensemble takes average of distances learned by multiple learners. As one important aspect of ensemble, the learners should be diverse in their feature embeddings. To this end, we propose an attention-based ensemble, which uses multiple attention masks, so that each learner can attend to different parts of the object. We also propose a divergence loss, which encourages diversity among the learners. The proposed method is applied to the standard benchmarks of deep metric learning and experimental results show that it outperforms the state-of-the-art methods by a significant margin on image retrieval tasks.
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