尽管人工智能（AI）在理解各个领域的分子方面取得了重大进展，但现有模型通常从单个分子模态中获得单个认知能力。由于分子知识的层次结构是深刻的，即使人类也从不同的方式中学习，包括直觉图和专业文本，以帮助他们的理解。受到这一点的启发，我们提出了一个分子多模式基础模型，该模型是从分子图及其语义相关的文本数据（从发表的科学引用索引论文中爬立）的。该AI模型代表了直接桥接分子图和自然语言的关键尝试。重要的是，通过捕获两种方式的特定和互补信息，我们提出的模型可以更好地掌握分子专业知识。实验结果表明，我们的模型不仅在诸如跨模式检索和分子标题之类的跨模式任务中表现出有希望的性能，而且还可以增强分子属性预测，并具有从自然语言描述中产生有意义的分子图的能力。我们认为，我们的模型将对跨生物学，化学，材料，环境和医学等学科的AI能力领域产生广泛的影响。

神经辐射场（NERF）在建模3D对象和受控场景中取得了出色的性能，通常在单一的范围内。在这项工作中，我们首次尝试将NERF带到城市规模，观点包括卫星级，旨在捕获一个城市的概览，到地面图像，显示架构的复杂细节。到现场的相机距离的广泛跨度产生了具有不同细节水平和空间覆盖率的多尺度数据，这对Vanilla Nerf产生了极大的挑战，并将其偏向于受损结果。为了解决这些问题，我们介绍了CitynerF，这是一个渐进式学习范例，可以同步地增长NERF模型和训练。从拟合浅景层的遥远的视图开始，随着训练的进展，附加新的块以在越来越近的视图中适应新兴细节。该策略有效地激活了位置编码中的高频信道，并将更复杂的细节展开，因为训练进行了。我们展示了CitalnerF在模拟各种城市规模场景中的优越性，具有巨大的不同视图，以及在不同级别的细节中渲染视图的支持。

We propose an efficient method to generate white-box adversarial examples to trick a character-level neural classifier. We find that only a few manipulations are needed to greatly decrease the accuracy. Our method relies on an atomic flip operation, which swaps one token for another, based on the gradients of the onehot input vectors. Due to efficiency of our method, we can perform adversarial training which makes the model more robust to attacks at test time. With the use of a few semantics-preserving constraints, we demonstrate that HotFlip can be adapted to attack a word-level classifier as well.

The rise in data has led to the need for dimension reduction techniques, especially in the area of non-scalar variables, including time series, natural language processing, and computer vision. In this paper, we specifically investigate dimension reduction for time series through functional data analysis. Current methods for dimension reduction in functional data are functional principal component analysis and functional autoencoders, which are limited to linear mappings or scalar representations for the time series, which is inefficient. In real data applications, the nature of the data is much more complex. We propose a non-linear function-on-function approach, which consists of a functional encoder and a functional decoder, that uses continuous hidden layers consisting of continuous neurons to learn the structure inherent in functional data, which addresses the aforementioned concerns in the existing approaches. Our approach gives a low dimension latent representation by reducing the number of functional features as well as the timepoints at which the functions are observed. The effectiveness of the proposed model is demonstrated through multiple simulations and real data examples.

Differentiable rendering aims to compute the derivative of the image rendering function with respect to the rendering parameters. This paper presents a novel algorithm for 6-DoF pose estimation through gradient-based optimization using a differentiable rendering pipeline. We emphasize two key contributions: (1) instead of solving the conventional 2D to 3D correspondence problem and computing reprojection errors, images (rendered using the 3D model) are compared only in the 2D feature space via sparse 2D feature correspondences. (2) Instead of an analytical image formation model, we compute an approximate local gradient of the rendering process through online learning. The learning data consists of image features extracted from multi-viewpoint renders at small perturbations in the pose neighborhood. The gradients are propagated through the rendering pipeline for the 6-DoF pose estimation using nonlinear least squares. This gradient-based optimization regresses directly upon the pose parameters by aligning the 3D model to reproduce a reference image shape. Using representative experiments, we demonstrate the application of our approach to pose estimation in proximity operations.

Differentiable Search Indices (DSIs) encode a corpus of documents in the parameters of a model and use the same model to map queries directly to relevant document identifiers. Despite the strong performance of DSI models, deploying them in situations where the corpus changes over time is computationally expensive because reindexing the corpus requires re-training the model. In this work, we introduce DSI++, a continual learning challenge for DSI to incrementally index new documents while being able to answer queries related to both previously and newly indexed documents. Across different model scales and document identifier representations, we show that continual indexing of new documents leads to considerable forgetting of previously indexed documents. We also hypothesize and verify that the model experiences forgetting events during training, leading to unstable learning. To mitigate these issues, we investigate two approaches. The first focuses on modifying the training dynamics. Flatter minima implicitly alleviate forgetting, so we optimize for flatter loss basins and show that the model stably memorizes more documents (+12\%). Next, we introduce a generative memory to sample pseudo-queries for documents and supplement them during continual indexing to prevent forgetting for the retrieval task. Extensive experiments on novel continual indexing benchmarks based on Natural Questions (NQ) and MS MARCO demonstrate that our proposed solution mitigates forgetting by a significant margin. Concretely, it improves the average Hits@10 by $+21.1\%$ over competitive baselines for NQ and requires $6$ times fewer model updates compared to re-training the DSI model for incrementally indexing five corpora in a sequence.

Computational notebooks, such as Jupyter notebooks, are interactive computing environments that are ubiquitous among data scientists to perform data wrangling and analytic tasks. To measure the performance of AI pair programmers that automatically synthesize programs for those tasks given natural language (NL) intents from users, we build ARCADE, a benchmark of 1082 code generation problems using the pandas data analysis framework in data science notebooks. ARCADE features multiple rounds of NL-to-code problems from the same notebook. It requires a model to understand rich multi-modal contexts, such as existing notebook cells and their execution states as well as previous turns of interaction. To establish a strong baseline on this challenging task, we develop PaChiNCo, a 62B code language model (LM) for Python computational notebooks, which significantly outperforms public code LMs. Finally, we explore few-shot prompting strategies to elicit better code with step-by-step decomposition and NL explanation, showing the potential to improve the diversity and explainability of model predictions.

Harvesting question-answer (QA) pairs from customer service chatlog in the wild is an efficient way to enrich the knowledge base for customer service chatbots in the cold start or continuous integration scenarios. Prior work attempts to obtain 1-to-1 QA pairs from growing customer service chatlog, which fails to integrate the incomplete utterances from the dialog context for composite QA retrieval. In this paper, we propose N-to-N QA extraction task in which the derived questions and corresponding answers might be separated across different utterances. We introduce a suite of generative/discriminative tagging based methods with end-to-end and two-stage variants that perform well on 5 customer service datasets and for the first time setup a benchmark for N-to-N DialogQAE with utterance and session level evaluation metrics. With a deep dive into extracted QA pairs, we find that the relations between and inside the QA pairs can be indicators to analyze the dialogue structure, e.g. information seeking, clarification, barge-in and elaboration. We also show that the proposed models can adapt to different domains and languages, and reduce the labor cost of knowledge accumulation in the real-world product dialogue platform.

By transferring knowledge from large, diverse, task-agnostic datasets, modern machine learning models can solve specific downstream tasks either zero-shot or with small task-specific datasets to a high level of performance. While this capability has been demonstrated in other fields such as computer vision, natural language processing or speech recognition, it remains to be shown in robotics, where the generalization capabilities of the models are particularly critical due to the difficulty of collecting real-world robotic data. We argue that one of the keys to the success of such general robotic models lies with open-ended task-agnostic training, combined with high-capacity architectures that can absorb all of the diverse, robotic data. In this paper, we present a model class, dubbed Robotics Transformer, that exhibits promising scalable model properties. We verify our conclusions in a study of different model classes and their ability to generalize as a function of the data size, model size, and data diversity based on a large-scale data collection on real robots performing real-world tasks. The project's website and videos can be found at robotics-transformer.github.io

This paper presents the work of restoring punctuation for ASR transcripts generated by multilingual ASR systems. The focus languages are English, Mandarin, and Malay which are three of the most popular languages in Singapore. To the best of our knowledge, this is the first system that can tackle punctuation restoration for these three languages simultaneously. Traditional approaches usually treat the task as a sequential labeling task, however, this work adopts a slot-filling approach that predicts the presence and type of punctuation marks at each word boundary. The approach is similar to the Masked-Language Model approach employed during the pre-training stages of BERT, but instead of predicting the masked word, our model predicts masked punctuation. Additionally, we find that using Jieba1 instead of only using the built-in SentencePiece tokenizer of XLM-R can significantly improve the performance of punctuating Mandarin transcripts. Experimental results on English and Mandarin IWSLT2022 datasets and Malay News show that the proposed approach achieved state-of-the-art results for Mandarin with 73.8% F1-score while maintaining a reasonable F1-score for English and Malay, i.e. 74.7% and 78% respectively. Our source code that allows reproducing the results and building a simple web-based application for demonstration purposes is available on Github.