通过将微分方程（DES）和强化学习（RL）与域知识相结合，我们模拟阿尔茨海默病的疾病（AD）进展。 DES提供与广告相关的一些但不是全部因素之间的关系。我们假设缺失的关系必须满足关于大脑的工作的一般标准，例如，最大限度地提高认知，同时最小化支持认知的成本。这允许我们通过使用RL来优化捕获捕获上述标准的目标（奖励）函数来提取缺失的关系。我们使用由DES（作为模拟器）和训练的RL代理组成的模型，以预测合成和实际数据的基线（第0年）特征的个性化10年的广告进展。该模型可比较或更好地预测10年的认知轨迹，而不是最先进的基于学习的模型。我们的可解释模型展示，并提供了缓解广告效果的“恢复/补偿”过程的见解，即使这些过程在模型中未明确编码。我们的框架将DES与RL结合起来，以进行广告进展，并具有广泛适用性，以了解其他神经系统疾病。

Applying Machine learning to domains like Earth Sciences is impeded by the lack of labeled data, despite a large corpus of raw data available in such domains. For instance, training a wildfire classifier on satellite imagery requires curating a massive and diverse dataset, which is an expensive and time-consuming process that can span from weeks to months. Searching for relevant examples in over 40 petabytes of unlabelled data requires researchers to manually hunt for such images, much like finding a needle in a haystack. We present a no-code end-to-end pipeline, Curator, which dramatically minimizes the time taken to curate an exhaustive labeled dataset. Curator is able to search massive amounts of unlabelled data by combining self-supervision, scalable nearest neighbor search, and active learning to learn and differentiate image representations. The pipeline can also be readily applied to solve problems across different domains. Overall, the pipeline makes it practical for researchers to go from just one reference image to a comprehensive dataset in a diminutive span of time.

Several self-supervised representation learning methods have been proposed for reinforcement learning (RL) with rich observations. For real-world applications of RL, recovering underlying latent states is crucial, particularly when sensory inputs contain irrelevant and exogenous information. In this work, we study how information bottlenecks can be used to construct latent states efficiently in the presence of task-irrelevant information. We propose architectures that utilize variational and discrete information bottlenecks, coined as RepDIB, to learn structured factorized representations. Exploiting the expressiveness bought by factorized representations, we introduce a simple, yet effective, bottleneck that can be integrated with any existing self-supervised objective for RL. We demonstrate this across several online and offline RL benchmarks, along with a real robot arm task, where we find that compressed representations with RepDIB can lead to strong performance improvements, as the learned bottlenecks help predict only the relevant state while ignoring irrelevant information.

Graph Neural Networks (GNNs) have become increasingly important in recent years due to their state-of-the-art performance on many important downstream applications. Existing GNNs have mostly focused on learning a single node representation, despite that a node often exhibits polysemous behavior in different contexts. In this work, we develop a persona-based graph neural network framework called PersonaSAGE that learns multiple persona-based embeddings for each node in the graph. Such disentangled representations are more interpretable and useful than a single embedding. Furthermore, PersonaSAGE learns the appropriate set of persona embeddings for each node in the graph, and every node can have a different number of assigned persona embeddings. The framework is flexible enough and the general design helps in the wide applicability of the learned embeddings to suit the domain. We utilize publicly available benchmark datasets to evaluate our approach and against a variety of baselines. The experiments demonstrate the effectiveness of PersonaSAGE for a variety of important tasks including link prediction where we achieve an average gain of 15% while remaining competitive for node classification. Finally, we also demonstrate the utility of PersonaSAGE with a case study for personalized recommendation of different entity types in a data management platform.

We demonstrate a Physics-informed Neural Network (PINN) based model for real-time health monitoring of a heat exchanger, that plays a critical role in improving energy efficiency of thermal power plants. A hypernetwork based approach is used to enable the domain-decomposed PINN learn the thermal behavior of the heat exchanger in response to dynamic boundary conditions, eliminating the need to re-train. As a result, we achieve orders of magnitude reduction in inference time in comparison to existing PINNs, while maintaining the accuracy on par with the physics-based simulations. This makes the approach very attractive for predictive maintenance of the heat exchanger in digital twin environments.

We study politeness phenomena in nine typologically diverse languages. Politeness is an important facet of communication and is sometimes argued to be cultural-specific, yet existing computational linguistic study is limited to English. We create TyDiP, a dataset containing three-way politeness annotations for 500 examples in each language, totaling 4.5K examples. We evaluate how well multilingual models can identify politeness levels -- they show a fairly robust zero-shot transfer ability, yet fall short of estimated human accuracy significantly. We further study mapping the English politeness strategy lexicon into nine languages via automatic translation and lexicon induction, analyzing whether each strategy's impact stays consistent across languages. Lastly, we empirically study the complicated relationship between formality and politeness through transfer experiments. We hope our dataset will support various research questions and applications, from evaluating multilingual models to constructing polite multilingual agents.

Personalization in Federated Learning (FL) aims to modify a collaboratively trained global model according to each client. Current approaches to personalization in FL are at a coarse granularity, i.e. all the input instances of a client use the same personalized model. This ignores the fact that some instances are more accurately handled by the global model due to better generalizability. To address this challenge, this work proposes Flow, a fine-grained stateless personalized FL approach. Flow creates dynamic personalized models by learning a routing mechanism that determines whether an input instance prefers the local parameters or its global counterpart. Thus, Flow introduces per-instance routing in addition to leveraging per-client personalization to improve accuracies at each client. Further, Flow is stateless which makes it unnecessary for a client to retain its personalized state across FL rounds. This makes Flow practical for large-scale FL settings and friendly to newly joined clients. Evaluations on Stackoverflow, Reddit, and EMNIST datasets demonstrate the superiority in prediction accuracy of Flow over state-of-the-art non-personalized and only per-client personalized approaches to FL.

We present RecD (Recommendation Deduplication), a suite of end-to-end infrastructure optimizations across the Deep Learning Recommendation Model (DLRM) training pipeline. RecD addresses immense storage, preprocessing, and training overheads caused by feature duplication inherent in industry-scale DLRM training datasets. Feature duplication arises because DLRM datasets are generated from interactions. While each user session can generate multiple training samples, many features' values do not change across these samples. We demonstrate how RecD exploits this property, end-to-end, across a deployed training pipeline. RecD optimizes data generation pipelines to decrease dataset storage and preprocessing resource demands and to maximize duplication within a training batch. RecD introduces a new tensor format, InverseKeyedJaggedTensors (IKJTs), to deduplicate feature values in each batch. We show how DLRM model architectures can leverage IKJTs to drastically increase training throughput. RecD improves the training and preprocessing throughput and storage efficiency by up to 2.49x, 1.79x, and 3.71x, respectively, in an industry-scale DLRM training system.

Despite the huge advancement in knowledge discovery and data mining techniques, the X-ray diffraction (XRD) analysis process has mostly remained untouched and still involves manual investigation, comparison, and verification. Due to the large volume of XRD samples from high-throughput XRD experiments, it has become impossible for domain scientists to process them manually. Recently, they have started leveraging standard clustering techniques, to reduce the XRD pattern representations requiring manual efforts for labeling and verification. Nevertheless, these standard clustering techniques do not handle problem-specific aspects such as peak shifting, adjacent peaks, background noise, and mixed phases; hence, resulting in incorrect composition-phase diagrams that complicate further steps. Here, we leverage data mining techniques along with domain expertise to handle these issues. In this paper, we introduce an incremental phase mapping approach based on binary peak representations using a new threshold based fuzzy dissimilarity measure. The proposed approach first applies an incremental phase computation algorithm on discrete binary peak representation of XRD samples, followed by hierarchical clustering or manual merging of similar pure phases to obtain the final composition-phase diagram. We evaluate our method on the composition space of two ternary alloy systems- Co-Ni-Ta and Co-Ti-Ta. Our results are verified by domain scientists and closely resembles the manually computed ground-truth composition-phase diagrams. The proposed approach takes us closer towards achieving the goal of complete end-to-end automated XRD analysis.

Bayesian Inference offers principled tools to tackle many critical problems with modern neural networks such as poor calibration and generalization, and data inefficiency. However, scaling Bayesian inference to large architectures is challenging and requires restrictive approximations. Monte Carlo Dropout has been widely used as a relatively cheap way for approximate Inference and to estimate uncertainty with deep neural networks. Traditionally, the dropout mask is sampled independently from a fixed distribution. Recent works show that the dropout mask can be viewed as a latent variable, which can be inferred with variational inference. These methods face two important challenges: (a) the posterior distribution over masks can be highly multi-modal which can be difficult to approximate with standard variational inference and (b) it is not trivial to fully utilize sample-dependent information and correlation among dropout masks to improve posterior estimation. In this work, we propose GFlowOut to address these issues. GFlowOut leverages the recently proposed probabilistic framework of Generative Flow Networks (GFlowNets) to learn the posterior distribution over dropout masks. We empirically demonstrate that GFlowOut results in predictive distributions that generalize better to out-of-distribution data, and provide uncertainty estimates which lead to better performance in downstream tasks.