FARM: Functional Group-Aware Representations for Small Molecules

We introduce Functional Group-Aware Representations for Small Molecules (FARM), a novel foundation model designed to bridge the gap between SMILES, natural language, and molecular graphs. The key innovation of FARM lies in its functional group-aware tokenization, which incorporates functional group information directly into the representations. This strategic reduction in tokenization granularity in a way that is intentionally interfaced with key drivers of functional properties (i.e., functional groups) enhances the model's understanding of chemical language, expands the chemical lexicon, more effectively bridging SMILES and natural language, and ultimately advances the model's capacity to predict molecular properties. FARM also represents molecules from two perspectives: by using masked language modeling to capture atom-level features and by employing graph neural networks to encode the whole molecule topology. By leveraging contrastive learning, FARM aligns these two views of representations into a unified molecular embedding. We rigorously evaluate FARM on the MoleculeNet dataset, where it achieves state-of-the-art performance on 10 out of 12 tasks. These results highlight FARM's potential to improve molecular representation learning, with promising applications in drug discovery and pharmaceutical research.

ARMADA: Attribute-Based Multimodal Data Augmentation

In Multimodal Language Models (MLMs), the cost of manually annotating high-quality image-text pair data for fine-tuning and alignment is extremely high. While existing multimodal data augmentation frameworks propose ways to augment image-text pairs, they either suffer from semantic inconsistency between texts and images, or generate unrealistic images, causing knowledge gap with real world examples. To address these issues, we propose Attribute-based Multimodal Data Augmentation (ARMADA), a novel multimodal data augmentation method via knowledge-guided manipulation of visual attributes of the mentioned entities. Specifically, we extract entities and their visual attributes from the original text data, then search for alternative values for the visual attributes under the guidance of knowledge bases (KBs) and large language models (LLMs). We then utilize an image-editing model to edit the images with the extracted attributes. ARMADA is a novel multimodal data generation framework that: (i) extracts knowledge-grounded attributes from symbolic KBs for semantically consistent yet distinctive image-text pair generation, (ii) generates visually similar images of disparate categories using neighboring entities in the KB hierarchy, and (iii) uses the commonsense knowledge of LLMs to modulate auxiliary visual attributes such as backgrounds for more robust representation of original entities. Our empirical results over four downstream tasks demonstrate the efficacy of our framework to produce high-quality data and enhance the model performance. This also highlights the need to leverage external knowledge proxies for enhanced interpretability and real-world grounding.

Eliminating Position Bias of Language Models: A Mechanistic Approach

Position bias has proven to be a prevalent issue of modern language models (LMs), where the models prioritize content based on its position within the given context. This bias often leads to unexpected model failures and hurts performance, robustness, and reliability across various applications. Our mechanistic analysis attributes the position bias to two components employed in nearly all state-of-the-art LMs: causal attention and relative positional encodings. Specifically, we find that causal attention generally causes models to favor distant content, while relative positional encodings like RoPE prefer nearby ones based on the analysis of retrieval-augmented question answering (QA). Further, our empirical study on object detection reveals that position bias is also present in vision-language models (VLMs). Based on the above analyses, we propose to ELIMINATE position bias caused by different input segment orders (e.g., options in LM-as-a-judge, retrieved documents in QA) in a TRAINING-FREE ZERO-SHOT manner. Our method changes the causal attention to bidirectional attention between segments and utilizes model attention values to decide the relative orders of segments instead of using the order provided in input prompts, therefore enabling Position-INvariant inferencE (PINE) at the segment level. By eliminating position bias, models achieve better performance and reliability in downstream tasks where position bias widely exists, such as LM-as-a-judge and retrieval-augmented QA. Notably, PINE is especially useful when adapting LMs for evaluating reasoning pairs: it consistently provides 8 to 10 percentage points performance gains in most cases, and makes Llama-3-70B-Instruct perform even better than GPT-4-0125-preview on the RewardBench reasoning subset.

Text-Based Reasoning About Vector Graphics

While large multimodal models excel in broad vision-language benchmarks, they often struggle with tasks requiring precise perception of low-level visual details, such as comparing line lengths or solving simple mazes. In particular, this failure mode persists in question-answering tasks about vector graphics -- images composed purely of 2D objects and shapes. To address this challenge, we propose the Visually Descriptive Language Model (VDLM), which performs text-based reasoning about vector graphics. VDLM leverages Scalable Vector Graphics (SVG) for a more precise visual description and first uses an off-the-shelf raster-to-SVG algorithm for encoding. Since existing language models cannot understand raw SVGs in a zero-shot setting, VDLM then bridges SVG with pretrained language models through a newly introduced intermediate symbolic representation, Primal Visual Description (PVD), comprising primitive attributes (e.g., shape, position, measurement) with their corresponding predicted values. PVD is task-agnostic and represents visual primitives that are universal across all vector graphics. It can be learned with procedurally generated (SVG, PVD) pairs and also enables the direct use of LLMs for generalization to complex reasoning tasks. By casting an image to a text-based representation, we can leverage the power of language models to learn alignment from SVG to visual primitives and generalize to unseen question-answering tasks. Empirical results show that VDLM achieves stronger zero-shot performance compared to state-of-the-art LMMs, such as GPT-4V, in various low-level multimodal perception and reasoning tasks on vector graphics. We additionally present extensive analyses on VDLM's performance, demonstrating that our framework offers better interpretability due to its disentangled perception and reasoning processes. Project page: https://mikewangwzhl.github.io/VDLM/

Event Detection from Social Media for Epidemic Prediction

Social media is an easy-to-access platform providing timely updates about societal trends and events. Discussions regarding epidemic-related events such as infections, symptoms, and social interactions can be crucial for informing policymaking during epidemic outbreaks. In our work, we pioneer exploiting Event Detection (ED) for better preparedness and early warnings of any upcoming epidemic by developing a framework to extract and analyze epidemic-related events from social media posts. To this end, we curate an epidemic event ontology comprising seven disease-agnostic event types and construct a Twitter dataset SPEED with human-annotated events focused on the COVID-19 pandemic. Experimentation reveals how ED models trained on COVID-based SPEED can effectively detect epidemic events for three unseen epidemics of Monkeypox, Zika, and Dengue; while models trained on existing ED datasets fail miserably. Furthermore, we show that reporting sharp increases in the extracted events by our framework can provide warnings 4-9 weeks earlier than the WHO epidemic declaration for Monkeypox. This utility of our framework lays the foundations for better preparedness against emerging epidemics.

A Reevaluation of Event Extraction: Past, Present, and Future Challenges

Event extraction has attracted much attention in recent years due to its potential for many applications. However, recent studies observe some evaluation challenges, suggesting that reported scores might not reflect the true performance. In this work, we first identify and discuss these evaluation challenges, including the unfair comparisons resulting from different assumptions about data or different data preprocessing steps, the incompleteness of the current evaluation framework leading to potential dataset bias or data split bias, and low reproducibility of prior studies. To address these challenges, we propose TextEE, a standardized, fair, and reproducible benchmark for event extraction. TextEE contains standardized data preprocessing scripts and splits for more than ten datasets across different domains. In addition, we aggregate and re-implement over ten event extraction approaches published in recent years and conduct a comprehensive reevaluation. Finally, we explore the capability of large language models in event extraction and discuss some future challenges. We expect TextEE will serve as a reliable benchmark for event extraction, facilitating future research in the field.

Self-Augmentation Improves Zero-Shot Cross-Lingual Transfer

Zero-shot cross-lingual transfer is a central task in multilingual NLP, allowing models trained in languages with more sufficient training resources to generalize to other low-resource languages. Earlier efforts on this task use parallel corpora, bilingual dictionaries, or other annotated alignment data to improve cross-lingual transferability, which are typically expensive to obtain. In this paper, we propose a simple yet effective method, SALT, to improve the zero-shot cross-lingual transfer of the multilingual pretrained language models without the help of such external data. By incorporating code-switching and embedding mixup with self-augmentation, SALT effectively distills cross-lingual knowledge from the multilingual PLM and enhances its transferability on downstream tasks. Experimental results on XNLI and PAWS-X show that our method is able to improve zero-shot cross-lingual transferability without external data. Our code is available at https://github.com/luka-group/SALT.

Contextual Label Projection for Cross-Lingual Structure Extraction

Translating training data into target languages has proven beneficial for cross-lingual transfer. However, for structure extraction tasks, translating data requires a label projection step, which translates input text and obtains translated labels in the translated text jointly. Previous research in label projection mostly compromises translation quality by either facilitating easy identification of translated labels from translated text or using word-level alignment between translation pairs to assemble translated phrase-level labels from the aligned words. In this paper, we introduce CLAP, which first translates text to the target language and performs contextual translation on the labels using the translated text as the context, ensuring better accuracy for the translated labels. We leverage instruction-tuned language models with multilingual capabilities as our contextual translator, imposing the constraint of the presence of translated labels in the translated text via instructions. We compare CLAP with other label projection techniques for creating pseudo-training data in target languages on event argument extraction, a representative structure extraction task. Results show that CLAP improves by 2-2.5 F1-score over other methods on the Chinese and Arabic ACE05 datasets.

ParaAMR: A Large-Scale Syntactically Diverse Paraphrase Dataset by AMR Back-Translation

Paraphrase generation is a long-standing task in natural language processing (NLP). Supervised paraphrase generation models, which rely on human-annotated paraphrase pairs, are cost-inefficient and hard to scale up. On the other hand, automatically annotated paraphrase pairs (e.g., by machine back-translation), usually suffer from the lack of syntactic diversity -- the generated paraphrase sentences are very similar to the source sentences in terms of syntax. In this work, we present ParaAMR, a large-scale syntactically diverse paraphrase dataset created by abstract meaning representation back-translation. Our quantitative analysis, qualitative examples, and human evaluation demonstrate that the paraphrases of ParaAMR are syntactically more diverse compared to existing large-scale paraphrase datasets while preserving good semantic similarity. In addition, we show that ParaAMR can be used to improve on three NLP tasks: learning sentence embeddings, syntactically controlled paraphrase generation, and data augmentation for few-shot learning. Our results thus showcase the potential of ParaAMR for improving various NLP applications.

PIP: Parse-Instructed Prefix for Syntactically Controlled Paraphrase Generation

Syntactically controlled paraphrase generation requires language models to generate paraphrases for sentences according to specific syntactic structures. Existing fine-tuning methods for this task are costly as all the parameters of the model need to be updated during the training process. Inspired by recent studies on parameter-efficient learning, we propose Parse-Instructed Prefix (PIP), a novel adaptation of prefix-tuning to tune large pre-trained language models on syntactically controlled paraphrase generation task in a low-data setting with significantly less training cost. We introduce two methods to instruct a model's encoder prefix to capture syntax-related knowledge: direct initiation (PIP-Direct) and indirect optimization (PIP-Indirect). In contrast to traditional fine-tuning methods for this task, PIP is a compute-efficient alternative with 10 times less learnable parameters. Compared to existing prefix-tuning methods, PIP excels at capturing syntax control information, achieving significantly higher performance at the same level of learnable parameter count.