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We present a scalable, bottom-up and intrinsically diverse data collection scheme that can be used for high-level reasoning with long and medium horizons and that has 2.2x higher throughput compared to traditional narrow top-down step-by-step collection. We collect realistic data by performing any user requests within the entirety of 3 office buildings and using multiple robot and human embodiments. With this data, we show that models trained on all embodiments perform better than ones trained on the robot data only, even when evaluated solely on robot episodes. We find that for a fixed collection budget it is beneficial to take advantage of cheaper human collection along with robot collection. We release a large and highly diverse (29,520 unique instructions) dataset dubbed RoboVQA containing 829,502 (video, text) pairs for robotics-focused visual question answering. We also demonstrate how evaluating real robot experiments with an intervention mechanism enables performing tasks to completion, making it deployable with human oversight even if imperfect while also providing a single performance metric. We demonstrate a single video-conditioned model named RoboVQA-VideoCoCa trained on our dataset that is capable of performing a variety of grounded high-level reasoning tasks in broad realistic settings with a cognitive intervention rate 46% lower than the zero-shot state of the art visual language model (VLM) baseline and is able to guide real robots through long-horizon tasks. The performance gap with zero-shot state-of-the-art models indicates that a lot of grounded data remains to be collected for real-world deployment, emphasizing the critical need for scalable data collection approaches. Finally, we show that video VLMs significantly outperform single-image VLMs with an average error rate reduction of 19% across all VQA tasks. Data and videos available at //robovqa.github.io

As the demand for verifiability and testability of neural networks continues to rise, an increasing number of methods for generating test sets are being developed. However, each of these techniques tends to emphasize specific testing aspects and can be quite time-consuming. A straightforward solution to mitigate this issue is to transfer test sets between some benchmarked models and a new model under test, based on a desirable property one wishes to transfer. This paper introduces GIST (Generated Inputs Sets Transferability), a novel approach for the efficient transfer of test sets among Deep Learning models. Given a property of interest that a user wishes to transfer (e.g., coverage criterion), GIST enables the selection of good test sets from the point of view of this property among available ones from a benchmark. We empirically evaluate GIST on fault types coverage property with two modalities and different test set generation procedures to demonstrate the approach's feasibility. Experimental results show that GIST can select an effective test set for the given property to transfer it to the model under test. Our results suggest that GIST could be applied to transfer other properties and could generalize to different test sets' generation procedures and modalities

In contrastive self-supervised learning, positive samples are typically drawn from the same image but in different augmented views, resulting in a relatively limited source of positive samples. An effective way to alleviate this problem is to incorporate the relationship between samples, which involves including the top-k nearest neighbors of positive samples in the framework. However, the problem of false neighbors (i.e., neighbors that do not belong to the same category as the positive sample) is an objective but often overlooked challenge due to the query of neighbor samples without human supervision. In this paper, we present a simple Self-supervised learning framework called Mixed Nearest-Neighbors for Self-Supervised Learning (MNN). MNN optimizes the influence of neighbor samples on the semantics of positive samples through an intuitive weighting approach and image mixture operations. The results of our study demonstrate that MNN exhibits exceptional generalization performance and training efficiency on four benchmark datasets.

Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this challenge, with sampling-based and regression-based methods emerging as two prominent approaches. However, these methods have notable limitations. Sampling-based methods often suffer from low efficiency due to the need for generating multiple candidate structures for selection. On the other hand, regression-based methods offer fast predictions but may experience decreased accuracy. Additionally, the variation in protein sizes often requires external modules for selecting suitable binding pockets, further impacting efficiency. In this work, we propose $\mathbf{FABind}$, an end-to-end model that combines pocket prediction and docking to achieve accurate and fast protein-ligand binding. $\mathbf{FABind}$ incorporates a unique ligand-informed pocket prediction module, which is also leveraged for docking pose estimation. The model further enhances the docking process by incrementally integrating the predicted pocket to optimize protein-ligand binding, reducing discrepancies between training and inference. Through extensive experiments on benchmark datasets, our proposed $\mathbf{FABind}$ demonstrates strong advantages in terms of effectiveness and efficiency compared to existing methods. Our code is available at $\href{//github.com/QizhiPei/FABind}{Github}$.

Anomaly detection in time series data, to identify points that deviate from normal behaviour, is a common problem in various domains such as manufacturing, medical imaging, and cybersecurity. Recently, Generative Adversarial Networks (GANs) are shown to be effective in detecting anomalies in time series data. The neural network architecture of GANs (i.e. Generator and Discriminator) can significantly improve anomaly detection accuracy. In this paper, we propose a new GAN model, named Adjusted-LSTM GAN (ALGAN), which adjusts the output of an LSTM network for improved anomaly detection in both univariate and multivariate time series data in an unsupervised setting. We evaluate the performance of ALGAN on 46 real-world univariate time series datasets and a large multivariate dataset that spans multiple domains. Our experiments demonstrate that ALGAN outperforms traditional, neural network-based, and other GAN-based methods for anomaly detection in time series data.

Prevalent supervised learning methods in natural language processing (NLP) are notoriously data-hungry, which demand large amounts of high-quality annotated data. In practice, acquiring such data is a costly endeavor. Recently, the superior few-shot performance of large language models (LLMs) has propelled the development of dataset generation, where the training data are solely synthesized from LLMs. However, such an approach usually suffers from low-quality issues, and requires orders of magnitude more labeled data to achieve satisfactory performance. To fully exploit the potential of LLMs and make use of massive unlabeled data, we propose LLMaAA, which takes LLMs as annotators and puts them into an active learning loop to determine what to annotate efficiently. To learn robustly with pseudo labels, we optimize both the annotation and training processes: (1) we draw k-NN examples from a small demonstration pool as in-context examples, and (2) we adopt the example reweighting technique to assign training samples with learnable weights. Compared with previous approaches, LLMaAA features both efficiency and reliability. We conduct experiments and analysis on two classic NLP tasks, named entity recognition and relation extraction. With LLMaAA, task-specific models trained from LLM-generated labels can outperform the teacher within only hundreds of annotated examples, which is much more cost-effective than other baselines.

Interpretability methods are developed to understand the working mechanisms of black-box models, which is crucial to their responsible deployment. Fulfilling this goal requires both that the explanations generated by these methods are correct and that people can easily and reliably understand them. While the former has been addressed in prior work, the latter is often overlooked, resulting in informal model understanding derived from a handful of local explanations. In this paper, we introduce explanation summary (ExSum), a mathematical framework for quantifying model understanding, and propose metrics for its quality assessment. On two domains, ExSum highlights various limitations in the current practice, helps develop accurate model understanding, and reveals easily overlooked properties of the model. We also connect understandability to other properties of explanations such as human alignment, robustness, and counterfactual minimality and plausibility.

Generative commonsense reasoning which aims to empower machines to generate sentences with the capacity of reasoning over a set of concepts is a critical bottleneck for text generation. Even the state-of-the-art pre-trained language generation models struggle at this task and often produce implausible and anomalous sentences. One reason is that they rarely consider incorporating the knowledge graph which can provide rich relational information among the commonsense concepts. To promote the ability of commonsense reasoning for text generation, we propose a novel knowledge graph augmented pre-trained language generation model KG-BART, which encompasses the complex relations of concepts through the knowledge graph and produces more logical and natural sentences as output. Moreover, KG-BART can leverage the graph attention to aggregate the rich concept semantics that enhances the model generalization on unseen concept sets. Experiments on benchmark CommonGen dataset verify the effectiveness of our proposed approach by comparing with several strong pre-trained language generation models, particularly KG-BART outperforms BART by 5.80, 4.60, in terms of BLEU-3, 4. Moreover, we also show that the generated context by our model can work as background scenarios to benefit downstream commonsense QA tasks.

Recurrent neural nets (RNN) and convolutional neural nets (CNN) are widely used on NLP tasks to capture the long-term and local dependencies, respectively. Attention mechanisms have recently attracted enormous interest due to their highly parallelizable computation, significantly less training time, and flexibility in modeling dependencies. We propose a novel attention mechanism in which the attention between elements from input sequence(s) is directional and multi-dimensional (i.e., feature-wise). A light-weight neural net, "Directional Self-Attention Network (DiSAN)", is then proposed to learn sentence embedding, based solely on the proposed attention without any RNN/CNN structure. DiSAN is only composed of a directional self-attention with temporal order encoded, followed by a multi-dimensional attention that compresses the sequence into a vector representation. Despite its simple form, DiSAN outperforms complicated RNN models on both prediction quality and time efficiency. It achieves the best test accuracy among all sentence encoding methods and improves the most recent best result by 1.02% on the Stanford Natural Language Inference (SNLI) dataset, and shows state-of-the-art test accuracy on the Stanford Sentiment Treebank (SST), Multi-Genre natural language inference (MultiNLI), Sentences Involving Compositional Knowledge (SICK), Customer Review, MPQA, TREC question-type classification and Subjectivity (SUBJ) datasets.