The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the potential to optimize laboratory operations and fuel a new era of data-driven automation in scientific discovery. However, specialized models are still typically required for each task, leading to the need for problem-specific fine-tuning and neglecting task interrelations. The main obstacle in this field is the lack of a unified representation between natural language and chemical representations, complicating and limiting human-machine interaction. Here, we propose a multi-domain, multi-task language model to solve a wide range of tasks in both the chemical and natural language domains. By leveraging multi-task learning, our model can handle chemical and natural language concurrently, without requiring expensive pre-training on single domains or task-specific models. Interestingly, sharing weights across domains remarkably improves our model when benchmarked against state-of-the-art baselines on single-domain and cross-domain tasks. In particular, sharing information across domains and tasks gives rise to large improvements in cross-domain tasks, the magnitude of which increase with scale, as measured by more than a dozen of relevant metrics. Our work suggests that such models can robustly and efficiently accelerate discovery in physical sciences by superseding problem-specific fine-tuning and enhancing human-model interactions.
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Several deep neural networks have recently been shown to generate activations similar to those of the brain in response to the same input. These algorithms, however, remain largely implausible: they require (1) extraordinarily large amounts of data, (2) unobtainable supervised labels, (3) textual rather than raw sensory input, and / or (4) implausibly large memory (e.g. thousands of contextual words). These elements highlight the need to identify algorithms that, under these limitations, would suffice to account for both behavioral and brain responses. Focusing on the issue of speech processing, we here hypothesize that self-supervised algorithms trained on the raw waveform constitute a promising candidate. Specifically, we compare a recent self-supervised architecture, Wav2Vec 2.0, to the brain activity of 412 English, French, and Mandarin individuals recorded with functional Magnetic Resonance Imaging (fMRI), while they listened to ~1h of audio books. Our results are four-fold. First, we show that this algorithm learns brain-like representations with as little as 600 hours of unlabelled speech -- a quantity comparable to what infants can be exposed to during language acquisition. Second, its functional hierarchy aligns with the cortical hierarchy of speech processing. Third, different training regimes reveal a functional specialization akin to the cortex: Wav2Vec 2.0 learns sound-generic, speech-specific and language-specific representations similar to those of the prefrontal and temporal cortices. Fourth, we confirm the similarity of this specialization with the behavior of 386 additional participants. These elements, resulting from the largest neuroimaging benchmark to date, show how self-supervised learning can account for a rich organization of speech processing in the brain, and thus delineate a path to identify the laws of language acquisition which shape the human brain.
Named entity recognition (NER) is an important research problem in natural language processing. There are three types of NER tasks, including flat, nested and discontinuous entity recognition. Most previous sequential labeling models are task-specific, while recent years have witnessed the rising of generative models due to the advantage of unifying all NER tasks into the seq2seq model framework. Although achieving promising performance, our pilot studies demonstrate that existing generative models are ineffective at detecting entity boundaries and estimating entity types. This paper proposes a multi-task Transformer, which incorporates an entity boundary detection task into the named entity recognition task. More concretely, we achieve entity boundary detection by classifying the relations between tokens within the sentence. To improve the accuracy of entity-type mapping during decoding, we adopt an external knowledge base to calculate the prior entity-type distributions and then incorporate the information into the model via the self and cross-attention mechanisms. We perform experiments on an extensive set of NER benchmarks, including two flat, three nested, and three discontinuous NER datasets. Experimental results show that our approach considerably improves the generative NER model's performance.
Automaton-based representations of task knowledge play an important role in control and planning for sequential decision-making problems. However, obtaining the high-level task knowledge required to build such automata is often difficult. Meanwhile, large-scale generative language models (GLMs) can automatically generate relevant task knowledge. However, the textual outputs from GLMs cannot be formally verified or used for sequential decision-making. We propose a novel algorithm named GLM2FSA, which constructs a finite state automaton (FSA) encoding high-level task knowledge from a brief natural-language description of the task goal. GLM2FSA first sends queries to a GLM to extract task knowledge in textual form, and then it builds an FSA to represent this text-based knowledge. The proposed algorithm thus fills the gap between natural-language task descriptions and automaton-based representations, and the constructed FSA can be formally verified against user-defined specifications. We accordingly propose a method to iteratively refine the queries to the GLM based on the outcomes, e.g., counter-examples, from verification. We demonstrate GLM2FSA's ability to build and refine automaton-based representations of everyday tasks (e.g., crossing a road or making a phone call), and also of tasks that require highly-specialized knowledge (e.g., executing secure multi-party computation).
Large language models (LLMs) have transformed many fields, including natural language processing, computer vision, and reinforcement learning. These models have also made a significant impact in the field of law, where they are being increasingly utilized to automate various legal tasks, such as legal judgement prediction, legal document analysis, and legal document writing. However, the integration of LLMs into the legal field has also raised several legal problems, including privacy concerns, bias, and explainability. In this survey, we explore the integration of LLMs into the field of law. We discuss the various applications of LLMs in legal tasks, examine the legal challenges that arise from their use, and explore the data resources that can be used to specialize LLMs in the legal domain. Finally, we discuss several promising directions and conclude this paper. By doing so, we hope to provide an overview of the current state of LLMs in law and highlight the potential benefits and challenges of their integration.
Reasoning is a fundamental aspect of human intelligence that plays a crucial role in activities such as problem solving, decision making, and critical thinking. In recent years, large language models (LLMs) have made significant progress in natural language processing, and there is observation that these models may exhibit reasoning abilities when they are sufficiently large. However, it is not yet clear to what extent LLMs are capable of reasoning. This paper provides a comprehensive overview of the current state of knowledge on reasoning in LLMs, including techniques for improving and eliciting reasoning in these models, methods and benchmarks for evaluating reasoning abilities, findings and implications of previous research in this field, and suggestions on future directions. Our aim is to provide a detailed and up-to-date review of this topic and stimulate meaningful discussion and future work.
Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful prediction of molecule property by GNNs is the scarcity of labeled data. Though graph contrastive learning (GCL) methods have achieved extraordinary performance with insufficient labeled data, most focused on designing data augmentation schemes for general graphs. However, the fundamental property of a molecule could be altered with the augmentation method (like random perturbation) on molecular graphs. Whereas, the critical geometric information of molecules remains rarely explored under the current GNN and GCL architectures. To this end, we propose a novel graph contrastive learning method utilizing the geometry of the molecule across 2D and 3D views, which is named GeomGCL. Specifically, we first devise a dual-view geometric message passing network (GeomMPNN) to adaptively leverage the rich information of both 2D and 3D graphs of a molecule. The incorporation of geometric properties at different levels can greatly facilitate the molecular representation learning. Then a novel geometric graph contrastive scheme is designed to make both geometric views collaboratively supervise each other to improve the generalization ability of GeomMPNN. We evaluate GeomGCL on various downstream property prediction tasks via a finetune process. Experimental results on seven real-life molecular datasets demonstrate the effectiveness of our proposed GeomGCL against state-of-the-art baselines.
Generative models are now capable of producing highly realistic images that look nearly indistinguishable from the data on which they are trained. This raises the question: if we have good enough generative models, do we still need datasets? We investigate this question in the setting of learning general-purpose visual representations from a black-box generative model rather than directly from data. Given an off-the-shelf image generator without any access to its training data, we train representations from the samples output by this generator. We compare several representation learning methods that can be applied to this setting, using the latent space of the generator to generate multiple "views" of the same semantic content. We show that for contrastive methods, this multiview data can naturally be used to identify positive pairs (nearby in latent space) and negative pairs (far apart in latent space). We find that the resulting representations rival those learned directly from real data, but that good performance requires care in the sampling strategy applied and the training method. Generative models can be viewed as a compressed and organized copy of a dataset, and we envision a future where more and more "model zoos" proliferate while datasets become increasingly unwieldy, missing, or private. This paper suggests several techniques for dealing with visual representation learning in such a future. Code is released on our project page: //ali-design.github.io/GenRep/
Domain generalization (DG), i.e., out-of-distribution generalization, has attracted increased interests in recent years. Domain generalization deals with a challenging setting where one or several different but related domain(s) are given, and the goal is to learn a model that can generalize to an unseen test domain. For years, great progress has been achieved. This paper presents the first review for recent advances in domain generalization. First, we provide a formal definition of domain generalization and discuss several related fields. Next, we thoroughly review the theories related to domain generalization and carefully analyze the theory behind generalization. Then, we categorize recent algorithms into three classes and present them in detail: data manipulation, representation learning, and learning strategy, each of which contains several popular algorithms. Third, we introduce the commonly used datasets and applications. Finally, we summarize existing literature and present some potential research topics for the future.
The recent GPT-3 model (Brown et al., 2020) achieves remarkable few-shot performance solely by leveraging a natural-language prompt and a few task demonstrations as input context. Inspired by their findings, we study few-shot learning in a more practical scenario, where we use smaller language models for which fine-tuning is computationally efficient. We present LM-BFF--better few-shot fine-tuning of language models--a suite of simple and complementary techniques for fine-tuning language models on a small number of annotated examples. Our approach includes (1) prompt-based fine-tuning together with a novel pipeline for automating prompt generation; and (2) a refined strategy for dynamically and selectively incorporating demonstrations into each context. Finally, we present a systematic evaluation for analyzing few-shot performance on a range of NLP tasks, including classification and regression. Our experiments demonstrate that our methods combine to dramatically outperform standard fine-tuning procedures in this low resource setting, achieving up to 30% absolute improvement, and 11% on average across all tasks. Our approach makes minimal assumptions on task resources and domain expertise, and hence constitutes a strong task-agnostic method for few-shot learning.
Pre-training text representations has recently been shown to significantly improve the state-of-the-art in many natural language processing tasks. The central goal of pre-training is to learn text representations that are useful for subsequent tasks. However, existing approaches are optimized by minimizing a proxy objective, such as the negative log likelihood of language modeling. In this work, we introduce a learning algorithm which directly optimizes model's ability to learn text representations for effective learning of downstream tasks. We show that there is an intrinsic connection between multi-task pre-training and model-agnostic meta-learning with a sequence of meta-train steps. The standard multi-task learning objective adopted in BERT is a special case of our learning algorithm where the depth of meta-train is zero. We study the problem in two settings: unsupervised pre-training and supervised pre-training with different pre-training objects to verify the generality of our approach.Experimental results show that our algorithm brings improvements and learns better initializations for a variety of downstream tasks.
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