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Current self-supervised learning algorithms are often modality-specific and require large amounts of computational resources. To address these issues, we increase the training efficiency of data2vec, a learning objective that generalizes across several modalities. We do not encode masked tokens, use a fast convolutional decoder and amortize the effort to build teacher representations. data2vec 2.0 benefits from the rich contextualized target representations introduced in data2vec which enable a fast self-supervised learner. Experiments on ImageNet-1K image classification show that data2vec 2.0 matches the accuracy of Masked Autoencoders in 16.4x lower pre-training time, on Librispeech speech recognition it performs as well as wav2vec 2.0 in 10.6x less time, and on GLUE natural language understanding it matches a retrained RoBERTa model in half the time. Trading some speed for accuracy results in ImageNet-1K top-1 accuracy of 86.8\% with a ViT-L model trained for 150 epochs.

Within the coming decades, artificial general intelligence (AGI) may surpass human capabilities at a wide range of important tasks. We outline a case for expecting that, without substantial effort to prevent it, AGIs could learn to pursue goals which are very undesirable (in other words, misaligned) from a human perspective. We argue that AGIs trained in similar ways as today's most capable models could learn to act deceptively to receive higher reward; learn internally-represented goals which generalize beyond their training distributions; and pursue those goals using power-seeking strategies. We outline how the deployment of misaligned AGIs might irreversibly undermine human control over the world, and briefly review research directions aimed at preventing these problems.

Does the dominant approach to learn representations (as a side effect of optimizing an expected cost for a single training distribution) remain a good approach when we are dealing with multiple distributions. Our thesis is that such scenarios are better served by representations that are "richer" than those obtained with a single optimization episode. This is supported by a collection of empirical results obtained with an apparently na\"ive ensembling technique: concatenating the representations obtained with multiple training episodes using the same data, model, algorithm, and hyper-parameters, but different random seeds. These independently trained networks perform similarly. Yet, in a number of scenarios involving new distributions, the concatenated representation performs substantially better than an equivalently sized network trained from scratch. This proves that the representations constructed by multiple training episodes are in fact different. Although their concatenation carries little additional information about the training task under the training distribution, it becomes substantially more informative when tasks or distributions change. Meanwhile, a single training episode is unlikely to yield such a redundant representation because the optimization process has no reason to accumulate features that do not incrementally improve the training performance.

The technology of hyperspectral imaging (HSI) records the visual information upon long-range-distributed spectral wavelengths. A representative hyperspectral image acquisition procedure conducts a 3D-to-2D encoding by the coded aperture snapshot spectral imager (CASSI) and requires a software decoder for the 3D signal reconstruction. By observing this physical encoding procedure, two major challenges stand in the way of a high-fidelity reconstruction. (i) To obtain 2D measurements, CASSI dislocates multiple channels by disperser-titling and squeezes them onto the same spatial region, yielding an entangled data loss. (ii) The physical coded aperture leads to a masked data loss by selectively blocking the pixel-wise light exposure. To tackle these challenges, we propose a spatial-spectral (S^2-) Transformer network with a mask-aware learning strategy. First, we simultaneously leverage spatial and spectral attention modeling to disentangle the blended information in the 2D measurement along both two dimensions. A series of Transformer structures are systematically designed to fully investigate the spatial and spectral informative properties of the hyperspectral data. Second, the masked pixels will induce higher prediction difficulty and should be treated differently from unmasked ones. Thereby, we adaptively prioritize the loss penalty attributing to the mask structure by inferring the pixel-wise reconstruction difficulty upon the mask-encoded prediction. We theoretically discusses the distinct convergence tendencies between masked/unmasked regions of the proposed learning strategy. Extensive experiments demonstrates that the proposed method achieves superior reconstruction performance. Additionally, we empirically elaborate the behaviour of spatial and spectral attentions under the proposed architecture, and comprehensively examine the impact of the mask-aware learning.

Models based on machine learning can enable accurate and fast molecular property predictions, which is of interest in drug discovery and material design. Various supervised machine learning models have demonstrated promising performance, but the vast chemical space and the limited availability of property labels make supervised learning challenging. Recently, unsupervised transformer-based language models pretrained on a large unlabelled corpus have produced state-of-the-art results in many downstream natural language processing tasks. Inspired by this development, we present molecular embeddings obtained by training an efficient transformer encoder model, MoLFormer, which uses rotary positional embeddings. This model employs a linear attention mechanism, coupled with highly distributed training, on SMILES sequences of 1.1 billion unlabelled molecules from the PubChem and ZINC datasets. We show that the learned molecular representation outperforms existing baselines, including supervised and self-supervised graph neural networks and language models, on several downstream tasks from ten benchmark datasets. They perform competitively on two others. Further analyses, specifically through the lens of attention, demonstrate that MoLFormer trained on chemical SMILES indeed learns the spatial relationships between atoms within a molecule. These results provide encouraging evidence that large-scale molecular language models can capture sufficient chemical and structural information to predict various distinct molecular properties, including quantum-chemical properties.

Knowledge graphs represent factual knowledge about the world as relationships between concepts and are critical for intelligent decision making in enterprise applications. New knowledge is inferred from the existing facts in the knowledge graphs by encoding the concepts and relations into low-dimensional feature vector representations. The most effective representations for this task, called Knowledge Graph Embeddings (KGE), are learned through neural network architectures. Due to their impressive predictive performance, they are increasingly used in high-impact domains like healthcare, finance and education. However, are the black-box KGE models adversarially robust for use in domains with high stakes? This thesis argues that state-of-the-art KGE models are vulnerable to data poisoning attacks, that is, their predictive performance can be degraded by systematically crafted perturbations to the training knowledge graph. To support this argument, two novel data poisoning attacks are proposed that craft input deletions or additions at training time to subvert the learned model's performance at inference time. These adversarial attacks target the task of predicting the missing facts in knowledge graphs using KGE models, and the evaluation shows that the simpler attacks are competitive with or outperform the computationally expensive ones. The thesis contributions not only highlight and provide an opportunity to fix the security vulnerabilities of KGE models, but also help to understand the black-box predictive behaviour of KGE models.

We present a large-scale study on unsupervised spatiotemporal representation learning from videos. With a unified perspective on four recent image-based frameworks, we study a simple objective that can easily generalize all these methods to space-time. Our objective encourages temporally-persistent features in the same video, and in spite of its simplicity, it works surprisingly well across: (i) different unsupervised frameworks, (ii) pre-training datasets, (iii) downstream datasets, and (iv) backbone architectures. We draw a series of intriguing observations from this study, e.g., we discover that encouraging long-spanned persistency can be effective even if the timespan is 60 seconds. In addition to state-of-the-art results in multiple benchmarks, we report a few promising cases in which unsupervised pre-training can outperform its supervised counterpart. Code is made available at //github.com/facebookresearch/SlowFast

In this paper, we proposed to apply meta learning approach for low-resource automatic speech recognition (ASR). We formulated ASR for different languages as different tasks, and meta-learned the initialization parameters from many pretraining languages to achieve fast adaptation on unseen target language, via recently proposed model-agnostic meta learning algorithm (MAML). We evaluated the proposed approach using six languages as pretraining tasks and four languages as target tasks. Preliminary results showed that the proposed method, MetaASR, significantly outperforms the state-of-the-art multitask pretraining approach on all target languages with different combinations of pretraining languages. In addition, since MAML's model-agnostic property, this paper also opens new research direction of applying meta learning to more speech-related applications.

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.

We study the problem of named entity recognition (NER) from electronic medical records, which is one of the most fundamental and critical problems for medical text mining. Medical records which are written by clinicians from different specialties usually contain quite different terminologies and writing styles. The difference of specialties and the cost of human annotation makes it particularly difficult to train a universal medical NER system. In this paper, we propose a label-aware double transfer learning framework (La-DTL) for cross-specialty NER, so that a medical NER system designed for one specialty could be conveniently applied to another one with minimal annotation efforts. The transferability is guaranteed by two components: (i) we propose label-aware MMD for feature representation transfer, and (ii) we perform parameter transfer with a theoretical upper bound which is also label aware. We conduct extensive experiments on 12 cross-specialty NER tasks. The experimental results demonstrate that La-DTL provides consistent accuracy improvement over strong baselines. Besides, the promising experimental results on non-medical NER scenarios indicate that La-DTL is potential to be seamlessly adapted to a wide range of NER tasks.