Ireland

Molecular representation learning plays an essential role in cheminformatics. Recently, language model-based approaches have gained popularity as an alternative to traditional expert-designed features to encode molecules. However, these approaches only utilize a single molecular language for representation learning. Motivated by the fact that a given molecule can be described using different languages such as Simplified Molecular Line Entry System (SMILES), The International Union of Pure and Applied Chemistry (IUPAC), and The IUPAC International Chemical Identifier (InChI), we propose a multilingual molecular embedding generation approach called MM-Deacon (multilingual molecular domain embedding analysis via contrastive learning). MM-Deacon is pre-trained using SMILES and IUPAC as two different languages on large-scale molecules. We evaluated the robustness of our method on seven molecular property prediction tasks from MoleculeNet benchmark, zero-shot cross-lingual retrieval, and a drug-drug interaction prediction task.

ACL 2022

Multilingual Molecular Representation Learning via Contrastive Pre-training

molecular representation learning

contrastive learing

multilingual

# Welcome everyone to ACL 2022!

The 60th Annual Meeting of the Association for Computational Linguistics is taking place May 22-27, 2022 as a hybrid event, in Dublin and online. We are happy to welcome all of you to this anniversary edition with an almost 50-50 in-person and virtual participation. 
The main conference program features oral presentations, in-person and virtual posters and demo sessions, a plenary session for our best paper presentations and awards, three amazing keynote events and two new initiatives of invited talks: Spotlight Talks for Young Rising Stars (STIRS) and The Next Big Idea Talks. Posters (including Findings of ACL 2022) and demos are grouped by areas for both the in-person and the virtual sessions. For the virtual component, the talks will be on Zoom and the posters and the demos will be in GatherTown. The Student Research Workshop will have an oral session and a poster session as part of Poster Session 1. The program also features eight Tutorials and 28 Workshops. 

 
We wish you a wonderful conference! 
[**The ACL 2022 Organizing Committee**](https://www.2022.aclweb.org/organisers)
 
[**Conference Handbook**](https://drive.google.com/file/d/1_BUCMfhMVrjG9E2e71aHdHeE28KSje0l/view?usp=sharing) 
[**Mini Handbook**](https://drive.google.com/file/d/1qlBKl0wzmlVF1oCeMQl3BahLd9nLP5Ce/view?usp=sharing) 
[**Posters and Demo guides**](https://drive.google.com/file/d/1UucMAoCNncIOaH1rMMDa0owuG9qgvJTG/view?usp=sharing)

The Association for Computational Linguistics (ACL) is the premier international scientific and professional society for people working on computational problems involving human language, a field often referred to as either computational linguistics or natural language processing (NLP). 

poster

New intent discovery aims to uncover novel intent categories from user utterances to expand the set of supported intent classes. It is a critical task for the development and service expansion of a practical dialogue system. Despite its importance, this problem remains under-explored in the literature. Existing approaches typically rely on a large amount of labeled utterances and employ pseudo-labeling methods for representation learning and clustering, which are label-intensive, inefficient, and inaccurate. In this paper, we provide new solutions to two important research questions for new intent discovery: (1) how to learn semantic utterance representations and (2) how to better cluster utterances. Particularly, we first propose a multi-task pre-training strategy to leverage rich unlabeled data along with external labeled data for representation learning. Then, we design a new contrastive loss to exploit self-supervisory signals in unlabeled data for clustering. Extensive experiments on three intent recognition benchmarks demonstrate the high effectiveness of our proposed method, which outperforms state-of-the-art methods by a large margin in both unsupervised and semi-supervised scenarios. The source code will be available at \url{https://github.com/zhang-yu-wei/MTP-CLNN}.

New Intent Discovery with Pre-training and Contrastive Learning

Languages are classified as low-resource when they lack the quantity of data necessary for training statistical and machine learning tools and models. Causes of resource scarcity vary but can include poor access to technology for developing these resources, a relatively small population of speakers, or a lack of urgency for collecting such resources in bilingual populations where the second language is high-resource. As a result, the languages described as low-resource in the literature are as different as Finnish on the one hand, with millions of speakers using it in every imaginable domain, and Seneca, with only a small-handful of fluent speakers using the language primarily in a restricted domain. While issues stemming from the lack of resources necessary to train models unite this disparate group of languages, many other issues cut across the divide between widely-spoken low-resource languages and endangered languages. In this position paper, we discuss the unique technological, cultural, practical, and ethical challenges that researchers and indigenous speech community members face when working together to develop language technology to support endangered language documentation and revitalization. We report the perspectives of language teachers, Master Speakers and elders from indigenous communities, as well as the point of view of academics. We describe an ongoing fruitful collaboration and make recommendations for future partnerships between academic researchers and language community stakeholders.

Not always about you: Prioritizing community needs when developing endangered language technology

A well-calibrated neural model produces confidence (probability outputs) closely approximated by the expected accuracy. While prior studies have shown that mixup training as a data augmentation technique can improve model calibration on image classification tasks, little is known about using mixup for model calibration on natural language understanding (NLU) tasks. In this paper, we explore mixup for model calibration on several NLU tasks and propose a novel mixup strategy for pre-trained language models that improves model calibration further. Our proposed mixup is guided by both the Area Under the Margin (AUM) statistic and the saliency map of each sample. Moreover, we combine our mixup strategy with model miscalibration correction techniques (i.e., label smoothing and temperature scaling) and provide detailed analyses of their impact on our proposed mixup. We focus on systematically designing experiments on three NLU tasks: natural language inference, paraphrase detection, and commonsense reasoning. Our method achieves the lowest expected calibration error compared to strong baselines on both in-domain and out-of-domain test samples while maintaining competitive accuracy.

On the Calibration of Pre-trained Language Models using Mixup Guided by Area Under the Margin and Saliency

Semantic parsers map natural language utterances into meaning representations (e.g., programs). Such models are typically bottlenecked by the paucity of training data due to the required laborious annotation efforts. Recent studies have performed zero-shot learning by synthesizing training examples of canonical utterances and programs from a grammar, and further paraphrasing these utterances to improve linguistic diversity. However, such synthetic examples cannot fully capture patterns in real data. In this paper we analyze zero-shot parsers through the lenses of the language and logical gaps (Herzig and Berant, 2019), which quantify the discrepancy of language and programmatic patterns between the canonical examples and real-world user-issued ones. We propose bridging these gaps using improved grammars, stronger paraphrasers, and efficient learning methods using canonical examples that most likely reflect real user intents. Our model achieves strong performance on two semantic parsing benchmarks (Scholar, Geo) with zero labeled data.

On The Ingredients of an Effective Zero-shot Semantic Parser

Although transformers are remarkably effective for many tasks, there are some surprisingly easy-looking regular languages that they struggle with. Hahn shows that for languages where acceptance depends on a single input symbol, a transformer's classification decisions become less and less confident (that is, with cross-entropy approaching 1 bit per string) as input strings get longer and longer. We examine this limitation using two languages: PARITY, the language of bit strings with an odd number of 1s, and FIRST, the language of bit strings starting with a 1. We demonstrate three ways of overcoming the limitation suggested by Hahn's lemma. First, we settle an open question by constructing a transformer that recognizes PARITY with perfect accuracy, and similarly for FIRST. Second, we use layer normalization to bring the cross-entropy of both models arbitrarily close to zero. Third, when transformers need to focus on a single position, as for FIRST, we find that they can fail to generalize to longer strings; we offer a simple remedy to this problem that also improves length generalization in machine translation.

Overcoming a Theoretical Limitation of Self-Attention

Prompts for pre-trained language models (PLMs) have shown remarkable performance by bridging the gap between pre-training tasks and various downstream tasks. Among these methods, prompt tuning, which freezes PLMs and only tunes soft prompts, provides an efficient and effective solution for adapting large-scale PLMs to downstream tasks. However, prompt tuning is yet to be fully explored. In our pilot experiments, we find that prompt tuning performs comparably with conventional full-model tuning when downstream data are sufficient, whereas it is much worse under few-shot learning settings, which may hinder the application of prompt tuning. We attribute this low performance to the manner of initializing soft prompts. Therefore, in this work, we propose to pre-train prompts by adding soft prompts into the pre-training stage to obtain a better initialization. We name this Pre-trained Prompt Tuning framework “PPT”. To ensure the generalization of PPT, we formulate similar classification tasks into a unified task form and pre-train soft prompts for this unified task. Extensive experiments show that tuning pre-trained prompts for downstream tasks can reach or even outperform full-model fine-tuning under both full-data and few-shot settings. Our approach is effective and efficient for using large-scale PLMs in practice.

PPT: Pre-trained Prompt Tuning for Few-shot Learning

Recent years have witnessed growing interests in incorporating external knowledge such as pre-trained word embeddings (PWEs) or pretrained language models (PLMs) into neural topic modeling. However, we found that employing PWEs and PLMs for topic modeling only achieved limited performance improvements but with huge computational overhead. In this paper, we propose a novel strategy to incorporate external knowledge into neural topic modeling where the neural topic model is pretrained on a large corpus and then fine-tuned on the target dataset. Experiments have been conducted on three datasets and results show that the proposed approach significantly outperforms both current state-of-the-art neural topic models and some topic modeling approaches enhanced with PWEs or PLMs. Moreover, further study shows that the proposed approach greatly reduces the need for the huge size of training data.

Pre-training and Fine-tuning Neural Topic Model: A Simple yet Effective Approach to Incorporating External Knowledge

We propose an unified framework to solve the Simile Interpretation and Simile Generation tasks by mining the knowledge in pre-trained language models.

Probing Simile Knowledge from Pre-trained Language Models

This paper focuses on the Data Augmentation for low-resource Natural Language Understanding (NLU) tasks. We propose Prompt-based D}ata Augmentation model (PromDA) which only trains small-scale Soft Prompt (i.e., a set of trainable vectors) in the frozen Pre-trained Language Models (PLMs). This avoids human effort in collecting unlabeled in-domain data and maintains the quality of generated synthetic data. In addition, PromDA generates synthetic data via two different views and filters out the low-quality data using NLU models. Experiments on four benchmarks show that synthetic data produced by PromDA successfully boost the performance of NLU models which consistently outperform several competitive baseline models, including a state-of-the-art semi-supervised model using unlabeled in-domain data. The synthetic data from PromDA are also complementary with unlabeled in-domain data. The NLU models can be further improved when they are combined for training.

PromDA: Prompt-based Data Augmentation for Low-Resource NLU Tasks

Current methods for few-shot fine-tuning of pretrained masked language models (PLMs) require carefully engineered prompts and verbalizers for each new task to convert examples into a cloze-format that the PLM can score. In this work, we propose PERFECT, a simple and efficient method for few-shot fine-tuning of PLMs without relying on any such handcrafting, which is highly effective given as few as 32 data points. PERFECT makes two key design choices: First, we show that manually engineered task prompts can be replaced with task-specific adapters that enable sample-efficient fine-tuning and reduce memory and storage costs by roughly factors of 5 and 100, respectively. Second, instead of using handcrafted verbalizers, we learn new multi-token label embeddings during fine-tuning, which are not tied to the model vocabulary and which allow us to avoid complex auto-regressive decoding. These embeddings are not only learnable from limited data but also enable nearly 100x faster training and inference. 
Experiments on a wide range of few-shot NLP tasks demonstrate that PERFECT, while being simple and efficient, also outperforms existing state-of-the-art few-shot learning methods. Our code is publicly available at https://github.com/facebookresearch/perfect.git.

Multilingual Molecular Representation Learning via Contrastive Pre-training

Downloads

Next from ACL 2022

New Intent Discovery with Pre-training and Contrastive Learning

Similar lecture

xGQA: Cross-Lingual Visual Question Answering