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Dec 8

Substrate Prediction for RiPP Biosynthetic Enzymes via Masked Language Modeling and Transfer Learning

Ribosomally synthesized and post-translationally modified peptide (RiPP) biosynthetic enzymes often exhibit promiscuous substrate preferences that cannot be reduced to simple rules. Large language models are promising tools for predicting such peptide fitness landscapes. However, state-of-the-art protein language models are trained on relatively few peptide sequences. A previous study comprehensively profiled the peptide substrate preferences of LazBF (a two-component serine dehydratase) and LazDEF (a three-component azole synthetase) from the lactazole biosynthetic pathway. We demonstrated that masked language modeling of LazBF substrate preferences produced language model embeddings that improved downstream classification models of both LazBF and LazDEF substrates. Similarly, masked language modeling of LazDEF substrate preferences produced embeddings that improved the performance of classification models of both LazBF and LazDEF substrates. Our results suggest that the models learned functional forms that are transferable between distinct enzymatic transformations that act within the same biosynthetic pathway. Our transfer learning method improved performance and data efficiency in data-scarce scenarios. We then fine-tuned models on each data set and showed that the fine-tuned models provided interpretable insight that we anticipate will facilitate the design of substrate libraries that are compatible with desired RiPP biosynthetic pathways.

  • 4 authors
·
Feb 23, 2024

Should We Still Pretrain Encoders with Masked Language Modeling?

Learning high-quality text representations is fundamental to a wide range of NLP tasks. While encoder pretraining has traditionally relied on Masked Language Modeling (MLM), recent evidence suggests that decoder models pretrained with Causal Language Modeling (CLM) can be effectively repurposed as encoders, often surpassing traditional encoders on text representation benchmarks. However, it remains unclear whether these gains reflect an inherent advantage of the CLM objective or arise from confounding factors such as model and data scale. In this paper, we address this question through a series of large-scale, carefully controlled pretraining ablations, training a total of 30 models ranging from 210 million to 1 billion parameters, and conducting over 15,000 fine-tuning and evaluation runs. We find that while training with MLM generally yields better performance across text representation tasks, CLM-trained models are more data-efficient and demonstrate improved fine-tuning stability. Building on these findings, we experimentally show that a biphasic training strategy that sequentially applies CLM and then MLM, achieves optimal performance under a fixed computational training budget. Moreover, we demonstrate that this strategy becomes more appealing when initializing from readily available pretrained CLM models (from the existing LLM ecosystem), reducing the computational burden needed to train best-in-class encoder models. We release all project artifacts at https://hf.co/MLMvsCLM to foster further research.

  • 8 authors
·
Jul 1 9

DrBERT: Unveiling the Potential of Masked Language Modeling Decoder in BERT pretraining

BERT (Bidirectional Encoder Representations from Transformers) has revolutionized the field of natural language processing through its exceptional performance on numerous tasks. Yet, the majority of researchers have mainly concentrated on enhancements related to the model structure, such as relative position embedding and more efficient attention mechanisms. Others have delved into pretraining tricks associated with Masked Language Modeling, including whole word masking. DeBERTa introduced an enhanced decoder adapted for BERT's encoder model for pretraining, proving to be highly effective. We argue that the design and research around enhanced masked language modeling decoders have been underappreciated. In this paper, we propose several designs of enhanced decoders and introduce DrBERT (Decoder-refined BERT), a novel method for modeling training. Typically, a pretrained BERT model is fine-tuned for specific Natural Language Understanding (NLU) tasks. In our approach, we utilize the original BERT model as the encoder, making only changes to the decoder without altering the encoder. This approach does not necessitate extensive modifications to the model's architecture and can be seamlessly integrated into existing fine-tuning pipelines and services, offering an efficient and effective enhancement strategy. Compared to other methods, while we also incur a moderate training cost for the decoder during the pretraining process, our approach does not introduce additional training costs during the fine-tuning phase. We test multiple enhanced decoder structures after pretraining and evaluate their performance on the GLUE benchmark. Our results demonstrate that DrBERT, having only undergone subtle refinements to the model structure during pretraining, significantly enhances model performance without escalating the inference time and serving budget.

  • 2 authors
·
Jan 28, 2024

Pairing interacting protein sequences using masked language modeling

Predicting which proteins interact together from amino-acid sequences is an important task. We develop a method to pair interacting protein sequences which leverages the power of protein language models trained on multiple sequence alignments, such as MSA Transformer and the EvoFormer module of AlphaFold. We formulate the problem of pairing interacting partners among the paralogs of two protein families in a differentiable way. We introduce a method called DiffPALM that solves it by exploiting the ability of MSA Transformer to fill in masked amino acids in multiple sequence alignments using the surrounding context. MSA Transformer encodes coevolution between functionally or structurally coupled amino acids. We show that it captures inter-chain coevolution, while it was trained on single-chain data, which means that it can be used out-of-distribution. Relying on MSA Transformer without fine-tuning, DiffPALM outperforms existing coevolution-based pairing methods on difficult benchmarks of shallow multiple sequence alignments extracted from ubiquitous prokaryotic protein datasets. It also outperforms an alternative method based on a state-of-the-art protein language model trained on single sequences. Paired alignments of interacting protein sequences are a crucial ingredient of supervised deep learning methods to predict the three-dimensional structure of protein complexes. DiffPALM substantially improves the structure prediction of some eukaryotic protein complexes by AlphaFold-Multimer, without significantly deteriorating any of those we tested. It also achieves competitive performance with using orthology-based pairing.

  • 3 authors
·
Aug 14, 2023

W2v-BERT: Combining Contrastive Learning and Masked Language Modeling for Self-Supervised Speech Pre-Training

Motivated by the success of masked language modeling~(MLM) in pre-training natural language processing models, we propose w2v-BERT that explores MLM for self-supervised speech representation learning. w2v-BERT is a framework that combines contrastive learning and MLM, where the former trains the model to discretize input continuous speech signals into a finite set of discriminative speech tokens, and the latter trains the model to learn contextualized speech representations via solving a masked prediction task consuming the discretized tokens. In contrast to existing MLM-based speech pre-training frameworks such as HuBERT, which relies on an iterative re-clustering and re-training process, or vq-wav2vec, which concatenates two separately trained modules, w2v-BERT can be optimized in an end-to-end fashion by solving the two self-supervised tasks~(the contrastive task and MLM) simultaneously. Our experiments show that w2v-BERT achieves competitive results compared to current state-of-the-art pre-trained models on the LibriSpeech benchmarks when using the Libri-Light~60k corpus as the unsupervised data. In particular, when compared to published models such as conformer-based wav2vec~2.0 and HuBERT, our model shows~5\% to~10\% relative WER reduction on the test-clean and test-other subsets. When applied to the Google's Voice Search traffic dataset, w2v-BERT outperforms our internal conformer-based wav2vec~2.0 by more than~30\% relatively.

  • 7 authors
·
Aug 7, 2021

PepMLM: Target Sequence-Conditioned Generation of Peptide Binders via Masked Language Modeling

Target proteins that lack accessible binding pockets and conformational stability have posed increasing challenges for drug development. Induced proximity strategies, such as PROTACs and molecular glues, have thus gained attention as pharmacological alternatives, but still require small molecule docking at binding pockets for targeted protein degradation (TPD). The computational design of protein-based binders presents unique opportunities to access undruggable targets, but have often relied on stable 3D structures or predictions for effective binder generation. Recently, we have leveraged the expressive latent spaces of protein language models (pLMs) for the prioritization of peptide binders from sequence alone, which we have then fused to E3 ubiquitin ligase domains, creating a CRISPR-analogous TPD system for target proteins. However, our methods rely on training discriminator models for ranking heuristically or unconditionally-derived guide peptides for their target binding capability. In this work, we introduce PepMLM, a purely target sequence-conditioned de novo generator of linear peptide binders. By employing a novel masking strategy that uniquely positions cognate peptide sequences at the terminus of target protein sequences, PepMLM tasks the state-of-the-art ESM-2 pLM to fully reconstruct the binder region, achieving low perplexities matching or improving upon previously-validated peptide-protein sequence pairs. After successful in silico benchmarking with AlphaFold-Multimer, we experimentally verify PepMLM's efficacy via fusion of model-derived peptides to E3 ubiquitin ligase domains, demonstrating endogenous degradation of target substrates in cellular models. In total, PepMLM enables the generative design of candidate binders to any target protein, without the requirement of target structure, empowering downstream programmable proteome editing applications.

  • 13 authors
·
Oct 5, 2023

ERNIE-Gram: Pre-Training with Explicitly N-Gram Masked Language Modeling for Natural Language Understanding

Coarse-grained linguistic information, such as named entities or phrases, facilitates adequately representation learning in pre-training. Previous works mainly focus on extending the objective of BERT's Masked Language Modeling (MLM) from masking individual tokens to contiguous sequences of n tokens. We argue that such contiguously masking method neglects to model the intra-dependencies and inter-relation of coarse-grained linguistic information. As an alternative, we propose ERNIE-Gram, an explicitly n-gram masking method to enhance the integration of coarse-grained information into pre-training. In ERNIE-Gram, n-grams are masked and predicted directly using explicit n-gram identities rather than contiguous sequences of n tokens. Furthermore, ERNIE-Gram employs a generator model to sample plausible n-gram identities as optional n-gram masks and predict them in both coarse-grained and fine-grained manners to enable comprehensive n-gram prediction and relation modeling. We pre-train ERNIE-Gram on English and Chinese text corpora and fine-tune on 19 downstream tasks. Experimental results show that ERNIE-Gram outperforms previous pre-training models like XLNet and RoBERTa by a large margin, and achieves comparable results with state-of-the-art methods. The source codes and pre-trained models have been released at https://github.com/PaddlePaddle/ERNIE.

  • 7 authors
·
Oct 22, 2020

It's All in The [MASK]: Simple Instruction-Tuning Enables BERT-like Masked Language Models As Generative Classifiers

While encoder-only models such as BERT and ModernBERT are ubiquitous in real-world NLP applications, their conventional reliance on task-specific classification heads can limit their applicability compared to decoder-based large language models (LLMs). In this work, we introduce ModernBERT-Large-Instruct, a 0.4B-parameter encoder model that leverages its masked language modelling (MLM) head for generative classification. Our approach employs an intentionally simple training loop and inference mechanism that requires no heavy pre-processing, heavily engineered prompting, or architectural modifications. ModernBERT-Large-Instruct exhibits strong zero-shot performance on both classification and knowledge-based tasks, outperforming similarly sized LLMs on MMLU and achieving 93% of Llama3-1B's MMLU performance with 60% less parameters. We also demonstrate that, when fine-tuned, the generative approach using the MLM head matches or even surpasses traditional classification-head methods across diverse NLU tasks.This capability emerges specifically in models trained on contemporary, diverse data mixes, with models trained on lower volume, less-diverse data yielding considerably weaker performance. Although preliminary, these results demonstrate the potential of using the original generative masked language modelling head over traditional task-specific heads for downstream tasks. Our work suggests that further exploration into this area is warranted, highlighting many avenues for future improvements.

  • 3 authors
·
Feb 6

Pre-training Language Model as a Multi-perspective Course Learner

ELECTRA, the generator-discriminator pre-training framework, has achieved impressive semantic construction capability among various downstream tasks. Despite the convincing performance, ELECTRA still faces the challenges of monotonous training and deficient interaction. Generator with only masked language modeling (MLM) leads to biased learning and label imbalance for discriminator, decreasing learning efficiency; no explicit feedback loop from discriminator to generator results in the chasm between these two components, underutilizing the course learning. In this study, a multi-perspective course learning (MCL) method is proposed to fetch a many degrees and visual angles for sample-efficient pre-training, and to fully leverage the relationship between generator and discriminator. Concretely, three self-supervision courses are designed to alleviate inherent flaws of MLM and balance the label in a multi-perspective way. Besides, two self-correction courses are proposed to bridge the chasm between the two encoders by creating a "correction notebook" for secondary-supervision. Moreover, a course soups trial is conducted to solve the "tug-of-war" dynamics problem of MCL, evolving a stronger pre-trained model. Experimental results show that our method significantly improves ELECTRA's average performance by 2.8% and 3.2% absolute points respectively on GLUE and SQuAD 2.0 benchmarks, and overshadows recent advanced ELECTRA-style models under the same settings. The pre-trained MCL model is available at https://huggingface.co/McmanusChen/MCL-base.

  • 9 authors
·
May 6, 2023

Do Not (Always) Look Right: Investigating the Capabilities of Decoder-Based Large Language Models for Sequence Labeling

Pre-trained language models based on masked language modeling (MLM) objective excel in natural language understanding (NLU) tasks. While fine-tuned MLM-based encoders consistently outperform causal language modeling decoders of comparable size, a recent trend of scaling decoder models to multiple billion parameters resulted in large language models (LLMs), making them competitive with MLM-based encoders. Although scale amplifies their prowess in NLU tasks, LLMs fall short of SOTA results in information extraction (IE) tasks, many framed as sequence labeling (SL). However, whether this is an intrinsic limitation of LLMs or whether their SL performance can be improved remains unclear. To address this, we explore strategies to enhance the SL performance of "open" LLMs (Llama2 and Mistral) on IE tasks. We investigate bidirectional information flow within groups of decoder blocks, applying layer-wise removal or enforcement of the causal mask (CM) during LLM fine-tuning. This approach yields performance gains competitive with SOTA SL models, matching or outperforming the results of CM removal from all blocks. Our findings hold for diverse SL tasks, proving that "open" LLMs with layer-dependent CM removal outperform strong MLM-based encoders and instruction-tuned LLMs. However, we observe no effect from CM removal on a small scale when maintaining an equivalent model size, pre-training steps, and pre-training and fine-tuning data.

  • 2 authors
·
Jan 25, 2024

Emerging Property of Masked Token for Effective Pre-training

Driven by the success of Masked Language Modeling (MLM), the realm of self-supervised learning for computer vision has been invigorated by the central role of Masked Image Modeling (MIM) in driving recent breakthroughs. Notwithstanding the achievements of MIM across various downstream tasks, its overall efficiency is occasionally hampered by the lengthy duration of the pre-training phase. This paper presents a perspective that the optimization of masked tokens as a means of addressing the prevailing issue. Initially, we delve into an exploration of the inherent properties that a masked token ought to possess. Within the properties, we principally dedicated to articulating and emphasizing the `data singularity' attribute inherent in masked tokens. Through a comprehensive analysis of the heterogeneity between masked tokens and visible tokens within pre-trained models, we propose a novel approach termed masked token optimization (MTO), specifically designed to improve model efficiency through weight recalibration and the enhancement of the key property of masked tokens. The proposed method serves as an adaptable solution that seamlessly integrates into any MIM approach that leverages masked tokens. As a result, MTO achieves a considerable improvement in pre-training efficiency, resulting in an approximately 50% reduction in pre-training epochs required to attain converged performance of the recent approaches.

  • 6 authors
·
Apr 12, 2024

HAD: Hybrid Architecture Distillation Outperforms Teacher in Genomic Sequence Modeling

Inspired by the great success of Masked Language Modeling (MLM) in the natural language domain, the paradigm of self-supervised pre-training and fine-tuning has also achieved remarkable progress in the field of DNA sequence modeling. However, previous methods often relied on massive pre-training data or large-scale base models with huge parameters, imposing a significant computational burden. To address this, many works attempted to use more compact models to achieve similar outcomes but still fell short by a considerable margin. In this work, we propose a Hybrid Architecture Distillation (HAD) approach, leveraging both distillation and reconstruction tasks for more efficient and effective pre-training. Specifically, we employ the NTv2-500M as the teacher model and devise a grouping masking strategy to align the feature embeddings of visible tokens while concurrently reconstructing the invisible tokens during MLM pre-training. To validate the effectiveness of our proposed method, we conducted comprehensive experiments on the Nucleotide Transformer Benchmark and Genomic Benchmark. Compared to models with similar parameters, our model achieved excellent performance. More surprisingly, it even surpassed the distillation ceiling-teacher model on some sub-tasks, which is more than 500 times larger. Lastly, we utilize t-SNE for more intuitive visualization, which shows that our model can gain a sophisticated understanding of the intrinsic representation pattern in genomic sequences.

  • 7 authors
·
May 27

A Primer on Contrastive Pretraining in Language Processing: Methods, Lessons Learned and Perspectives

Modern natural language processing (NLP) methods employ self-supervised pretraining objectives such as masked language modeling to boost the performance of various application tasks. These pretraining methods are frequently extended with recurrence, adversarial or linguistic property masking, and more recently with contrastive learning objectives. Contrastive self-supervised training objectives enabled recent successes in image representation pretraining by learning to contrast input-input pairs of augmented images as either similar or dissimilar. However, in NLP, automated creation of text input augmentations is still very challenging because a single token can invert the meaning of a sentence. For this reason, some contrastive NLP pretraining methods contrast over input-label pairs, rather than over input-input pairs, using methods from Metric Learning and Energy Based Models. In this survey, we summarize recent self-supervised and supervised contrastive NLP pretraining methods and describe where they are used to improve language modeling, few or zero-shot learning, pretraining data-efficiency and specific NLP end-tasks. We introduce key contrastive learning concepts with lessons learned from prior research and structure works by applications and cross-field relations. Finally, we point to open challenges and future directions for contrastive NLP to encourage bringing contrastive NLP pretraining closer to recent successes in image representation pretraining.

  • 2 authors
·
Feb 25, 2021

Bidirectional Language Models Are Also Few-shot Learners

Large language models such as GPT-3 (Brown et al., 2020) can perform arbitrary tasks without undergoing fine-tuning after being prompted with only a few labeled examples. An arbitrary task can be reformulated as a natural language prompt, and a language model can be asked to generate the completion, indirectly performing the task in a paradigm known as prompt-based learning. To date, emergent prompt-based learning capabilities have mainly been demonstrated for unidirectional language models. However, bidirectional language models pre-trained on denoising objectives such as masked language modeling produce stronger learned representations for transfer learning. This motivates the possibility of prompting bidirectional models, but their pre-training objectives have made them largely incompatible with the existing prompting paradigm. We present SAP (Sequential Autoregressive Prompting), a technique that enables the prompting of bidirectional models. Utilizing the machine translation task as a case study, we prompt the bidirectional mT5 model (Xue et al., 2021) with SAP and demonstrate its few-shot and zero-shot translations outperform the few-shot translations of unidirectional models like GPT-3 and XGLM (Lin et al., 2021), despite mT5's approximately 50% fewer parameters. We further show SAP is effective on question answering and summarization. For the first time, our results demonstrate prompt-based learning is an emergent property of a broader class of language models, rather than only unidirectional models.

  • 6 authors
·
Sep 28, 2022

What Language Model Architecture and Pretraining Objective Work Best for Zero-Shot Generalization?

Large pretrained Transformer language models have been shown to exhibit zero-shot generalization, i.e. they can perform a wide variety of tasks that they were not explicitly trained on. However, the architectures and pretraining objectives used across state-of-the-art models differ significantly, and there has been limited systematic comparison of these factors. In this work, we present a large-scale evaluation of modeling choices and their impact on zero-shot generalization. In particular, we focus on text-to-text models and experiment with three model architectures (causal/non-causal decoder-only and encoder-decoder), trained with two different pretraining objectives (autoregressive and masked language modeling), and evaluated with and without multitask prompted finetuning. We train models with over 5 billion parameters for more than 170 billion tokens, thereby increasing the likelihood that our conclusions will transfer to even larger scales. Our experiments show that causal decoder-only models trained on an autoregressive language modeling objective exhibit the strongest zero-shot generalization after purely unsupervised pretraining. However, models with non-causal visibility on their input trained with a masked language modeling objective followed by multitask finetuning perform the best among our experiments. We therefore consider the adaptation of pretrained models across architectures and objectives. We find that pretrained non-causal decoder models can be adapted into performant generative causal decoder models, using autoregressive language modeling as a downstream task. Furthermore, we find that pretrained causal decoder models can be efficiently adapted into non-causal decoder models, ultimately achieving competitive performance after multitask finetuning. Code and checkpoints are available at https://github.com/bigscience-workshop/architecture-objective.

  • 8 authors
·
Apr 12, 2022

Deep Bidirectional Language-Knowledge Graph Pretraining

Pretraining a language model (LM) on text has been shown to help various downstream NLP tasks. Recent works show that a knowledge graph (KG) can complement text data, offering structured background knowledge that provides a useful scaffold for reasoning. However, these works are not pretrained to learn a deep fusion of the two modalities at scale, limiting the potential to acquire fully joint representations of text and KG. Here we propose DRAGON (Deep Bidirectional Language-Knowledge Graph Pretraining), a self-supervised approach to pretraining a deeply joint language-knowledge foundation model from text and KG at scale. Specifically, our model takes pairs of text segments and relevant KG subgraphs as input and bidirectionally fuses information from both modalities. We pretrain this model by unifying two self-supervised reasoning tasks, masked language modeling and KG link prediction. DRAGON outperforms existing LM and LM+KG models on diverse downstream tasks including question answering across general and biomedical domains, with +5% absolute gain on average. In particular, DRAGON achieves notable performance on complex reasoning about language and knowledge (+10% on questions involving long contexts or multi-step reasoning) and low-resource QA (+8% on OBQA and RiddleSense), and new state-of-the-art results on various BioNLP tasks. Our code and trained models are available at https://github.com/michiyasunaga/dragon.

  • 7 authors
·
Oct 17, 2022

MergeDNA: Context-aware Genome Modeling with Dynamic Tokenization through Token Merging

Modeling genomic sequences faces two unsolved challenges: the information density varies widely across different regions, while there is no clearly defined minimum vocabulary unit. Relying on either four primitive bases or independently designed DNA tokenizers, existing approaches with naive masked language modeling pre-training often fail to adapt to the varying complexities of genomic sequences. Leveraging Token Merging techniques, this paper introduces a hierarchical architecture that jointly optimizes a dynamic genomic tokenizer and latent Transformers with context-aware pre-training tasks. As for network structures, the tokenization module automatically chunks adjacent bases into words by stacking multiple layers of the differentiable token merging blocks with local-window constraints, then a Latent Encoder captures the global context of these merged words by full-attention blocks. Symmetrically employing a Latent Decoder and a Local Decoder, MergeDNA learns with two pre-training tasks: Merged Token Reconstruction simultaneously trains the dynamic tokenization module and adaptively filters important tokens, while Adaptive Masked Token Modeling learns to predict these filtered tokens to capture informative contents. Extensive experiments show that MergeDNA achieves superior performance on three popular DNA benchmarks and several multi-omics tasks with fine-tuning or zero-shot evaluation, outperforming typical tokenization methods and large-scale DNA foundation models.

Biomedical Language Models are Robust to Sub-optimal Tokenization

As opposed to general English, many concepts in biomedical terminology have been designed in recent history by biomedical professionals with the goal of being precise and concise. This is often achieved by concatenating meaningful biomedical morphemes to create new semantic units. Nevertheless, most modern biomedical language models (LMs) are pre-trained using standard domain-specific tokenizers derived from large scale biomedical corpus statistics without explicitly leveraging the agglutinating nature of biomedical language. In this work, we first find that standard open-domain and biomedical tokenizers are largely unable to segment biomedical terms into meaningful components. Therefore, we hypothesize that using a tokenizer which segments biomedical terminology more accurately would enable biomedical LMs to improve their performance on downstream biomedical NLP tasks, especially ones which involve biomedical terms directly such as named entity recognition (NER) and entity linking. Surprisingly, we find that pre-training a biomedical LM using a more accurate biomedical tokenizer does not improve the entity representation quality of a language model as measured by several intrinsic and extrinsic measures such as masked language modeling prediction (MLM) accuracy as well as NER and entity linking performance. These quantitative findings, along with a case study which explores entity representation quality more directly, suggest that the biomedical pre-training process is quite robust to instances of sub-optimal tokenization.

  • 3 authors
·
Jun 30, 2023

Toward Efficient Language Model Pretraining and Downstream Adaptation via Self-Evolution: A Case Study on SuperGLUE

This technical report briefly describes our JDExplore d-team's Vega v2 submission on the SuperGLUE leaderboard. SuperGLUE is more challenging than the widely used general language understanding evaluation (GLUE) benchmark, containing eight difficult language understanding tasks, including question answering, natural language inference, word sense disambiguation, coreference resolution, and reasoning. [Method] Instead of arbitrarily increasing the size of a pretrained language model (PLM), our aim is to 1) fully extract knowledge from the input pretraining data given a certain parameter budget, e.g., 6B, and 2) effectively transfer this knowledge to downstream tasks. To achieve goal 1), we propose self-evolution learning for PLMs to wisely predict the informative tokens that should be masked, and supervise the masked language modeling (MLM) process with rectified smooth labels. For goal 2), we leverage the prompt transfer technique to improve the low-resource tasks by transferring the knowledge from the foundation model and related downstream tasks to the target task. [Results] According to our submission record (Oct. 2022), with our optimized pretraining and fine-tuning strategies, our 6B Vega method achieved new state-of-the-art performance on 4/8 tasks, sitting atop the SuperGLUE leaderboard on Oct. 8, 2022, with an average score of 91.3.

  • 14 authors
·
Dec 4, 2022

Towards Effective Time-Aware Language Representation: Exploring Enhanced Temporal Understanding in Language Models

In the evolving field of Natural Language Processing, understanding the temporal context of text is increasingly crucial. This study investigates methods to incorporate temporal information during pre-training, aiming to achieve effective time-aware language representation for improved performance on time-related tasks. In contrast to common pre-trained models like BERT, which rely on synchronic document collections such as BookCorpus and Wikipedia, our research introduces BiTimeBERT 2.0, a novel language model pre-trained on a temporal news article collection. BiTimeBERT 2.0 utilizes this temporal news collection, focusing on three innovative pre-training objectives: Time-Aware Masked Language Modeling (TAMLM), Document Dating (DD), and Time-Sensitive Entity Replacement (TSER). Each objective targets a unique aspect of temporal information. TAMLM is designed to enhance the understanding of temporal contexts and relations, DD integrates document timestamps as chronological markers, and TSER focuses on the temporal dynamics of "Person" entities, recognizing their inherent temporal significance. The experimental results consistently demonstrate that BiTimeBERT 2.0 outperforms models like BERT and other existing pre-trained models, achieving substantial gains across a variety of downstream NLP tasks and applications where time plays a pivotal role.

  • 3 authors
·
Jun 3, 2024

Endowing Protein Language Models with Structural Knowledge

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have emerged as the preferred method for this challenge, thanks to their ability to harness large sequence databases. Yet, their reliance on expansive sequence data and parameter sets limits their flexibility and practicality in real-world scenarios. Concurrently, the recent surge in computationally predicted protein structures unlocks new opportunities in protein representation learning. While promising, the computational burden carried by such complex data still hinders widely-adopted practical applications. To address these limitations, we introduce a novel framework that enhances protein language models by integrating protein structural data. Drawing from recent advances in graph transformers, our approach refines the self-attention mechanisms of pretrained language transformers by integrating structural information with structure extractor modules. This refined model, termed Protein Structure Transformer (PST), is further pretrained on a small protein structure database, using the same masked language modeling objective as traditional protein language models. Empirical evaluations of PST demonstrate its superior parameter efficiency relative to protein language models, despite being pretrained on a dataset comprising only 542K structures. Notably, PST consistently outperforms the state-of-the-art foundation model for protein sequences, ESM-2, setting a new benchmark in protein function prediction. Our findings underscore the potential of integrating structural information into protein language models, paving the way for more effective and efficient protein modeling Code and pretrained models are available at https://github.com/BorgwardtLab/PST.

  • 5 authors
·
Jan 26, 2024

CamemBERT 2.0: A Smarter French Language Model Aged to Perfection

French language models, such as CamemBERT, have been widely adopted across industries for natural language processing (NLP) tasks, with models like CamemBERT seeing over 4 million downloads per month. However, these models face challenges due to temporal concept drift, where outdated training data leads to a decline in performance, especially when encountering new topics and terminology. This issue emphasizes the need for updated models that reflect current linguistic trends. In this paper, we introduce two new versions of the CamemBERT base model-CamemBERTav2 and CamemBERTv2-designed to address these challenges. CamemBERTav2 is based on the DeBERTaV3 architecture and makes use of the Replaced Token Detection (RTD) objective for better contextual understanding, while CamemBERTv2 is built on RoBERTa, which uses the Masked Language Modeling (MLM) objective. Both models are trained on a significantly larger and more recent dataset with longer context length and an updated tokenizer that enhances tokenization performance for French. We evaluate the performance of these models on both general-domain NLP tasks and domain-specific applications, such as medical field tasks, demonstrating their versatility and effectiveness across a range of use cases. Our results show that these updated models vastly outperform their predecessors, making them valuable tools for modern NLP systems. All our new models, as well as intermediate checkpoints, are made openly available on Huggingface.

  • 6 authors
·
Nov 13, 2024 9

LightCLIP: Learning Multi-Level Interaction for Lightweight Vision-Language Models

Vision-language pre-training like CLIP has shown promising performance on various downstream tasks such as zero-shot image classification and image-text retrieval. Most of the existing CLIP-alike works usually adopt relatively large image encoders like ResNet50 and ViT, while the lightweight counterparts are rarely discussed. In this paper, we propose a multi-level interaction paradigm for training lightweight CLIP models. Firstly, to mitigate the problem that some image-text pairs are not strictly one-to-one correspondence, we improve the conventional global instance-level alignment objective by softening the label of negative samples progressively. Secondly, a relaxed bipartite matching based token-level alignment objective is introduced for finer-grained alignment between image patches and textual words. Moreover, based on the observation that the accuracy of CLIP model does not increase correspondingly as the parameters of text encoder increase, an extra objective of masked language modeling (MLM) is leveraged for maximizing the potential of the shortened text encoder. In practice, an auxiliary fusion module injecting unmasked image embedding into masked text embedding at different network stages is proposed for enhancing the MLM. Extensive experiments show that without introducing additional computational cost during inference, the proposed method achieves a higher performance on multiple downstream tasks.

  • 7 authors
·
Dec 1, 2023

Long-context Protein Language Model

Self-supervised training of language models (LMs) has seen great success for protein sequences in learning meaningful representations and for generative drug design. Most protein LMs are based on the Transformer architecture trained on individual proteins with short context lengths. Such protein LMs cannot extrapolate to longer proteins and protein complexes well. They also fail to account for the underlying biological mechanisms carried out by biomolecular interactions and dynamics i.e., proteins often interact with other proteins, molecules, and pathways in complex biological systems. In this work, we propose LC-PLM based on an alternative protein LM architecture, BiMamba-S, built off selective structured state-space models, to learn high-quality universal protein representations at the amino acid token level using masked language modeling. We also introduce its graph-contextual variant, LC-PLM-G, which contextualizes protein-protein interaction (PPI) graphs for a second stage of training. LC-PLM demonstrates favorable neural scaling laws, better length extrapolation capability, and a 7% to 34% improvement on protein downstream tasks than Transformer-based ESM-2. LC-PLM-G further trained within the context of PPI graphs shows promising results on protein structure and function prediction tasks. Our study demonstrates the benefit of increasing the context size with computationally efficient LM architecture (e.g. structured state space models) in learning universal protein representations and incorporating molecular interaction context contained in biological graphs.

  • 7 authors
·
Oct 29, 2024

Small Models, Big Impact: Efficient Corpus and Graph-Based Adaptation of Small Multilingual Language Models for Low-Resource Languages

Low-resource languages (LRLs) face significant challenges in natural language processing (NLP) due to limited data. While current state-of-the-art large language models (LLMs) still struggle with LRLs, smaller multilingual models (mLMs) such as mBERT and XLM-R offer greater promise due to a better fit of their capacity to low training data sizes. This study systematically investigates parameter-efficient adapter-based methods for adapting mLMs to LRLs, evaluating three architectures: Sequential Bottleneck, Invertible Bottleneck, and Low-Rank Adaptation. Using unstructured text from GlotCC and structured knowledge from ConceptNet, we show that small adaptation datasets (e.g., up to 1 GB of free-text or a few MB of knowledge graph data) yield gains in intrinsic (masked language modeling) and extrinsic tasks (topic classification, sentiment analysis, and named entity recognition). We find that Sequential Bottleneck adapters excel in language modeling, while Invertible Bottleneck adapters slightly outperform other methods on downstream tasks due to better embedding alignment and larger parameter counts. Adapter-based methods match or outperform full fine-tuning while using far fewer parameters, and smaller mLMs prove more effective for LRLs than massive LLMs like LLaMA-3, GPT-4, and DeepSeek-R1-based distilled models. While adaptation improves performance, pre-training data size remains the dominant factor, especially for languages with extensive pre-training coverage.

  • 4 authors
·
Feb 14 2

ELECTRA: Pre-training Text Encoders as Discriminators Rather Than Generators

Masked language modeling (MLM) pre-training methods such as BERT corrupt the input by replacing some tokens with [MASK] and then train a model to reconstruct the original tokens. While they produce good results when transferred to downstream NLP tasks, they generally require large amounts of compute to be effective. As an alternative, we propose a more sample-efficient pre-training task called replaced token detection. Instead of masking the input, our approach corrupts it by replacing some tokens with plausible alternatives sampled from a small generator network. Then, instead of training a model that predicts the original identities of the corrupted tokens, we train a discriminative model that predicts whether each token in the corrupted input was replaced by a generator sample or not. Thorough experiments demonstrate this new pre-training task is more efficient than MLM because the task is defined over all input tokens rather than just the small subset that was masked out. As a result, the contextual representations learned by our approach substantially outperform the ones learned by BERT given the same model size, data, and compute. The gains are particularly strong for small models; for example, we train a model on one GPU for 4 days that outperforms GPT (trained using 30x more compute) on the GLUE natural language understanding benchmark. Our approach also works well at scale, where it performs comparably to RoBERTa and XLNet while using less than 1/4 of their compute and outperforms them when using the same amount of compute.

  • 4 authors
·
Mar 23, 2020

Fine-grained Audible Video Description

We explore a new task for audio-visual-language modeling called fine-grained audible video description (FAVD). It aims to provide detailed textual descriptions for the given audible videos, including the appearance and spatial locations of each object, the actions of moving objects, and the sounds in videos. Existing visual-language modeling tasks often concentrate on visual cues in videos while undervaluing the language and audio modalities. On the other hand, FAVD requires not only audio-visual-language modeling skills but also paragraph-level language generation abilities. We construct the first fine-grained audible video description benchmark (FAVDBench) to facilitate this research. For each video clip, we first provide a one-sentence summary of the video, ie, the caption, followed by 4-6 sentences describing the visual details and 1-2 audio-related descriptions at the end. The descriptions are provided in both English and Chinese. We create two new metrics for this task: an EntityScore to gauge the completeness of entities in the visual descriptions, and an AudioScore to assess the audio descriptions. As a preliminary approach to this task, we propose an audio-visual-language transformer that extends existing video captioning model with an additional audio branch. We combine the masked language modeling and auto-regressive language modeling losses to optimize our model so that it can produce paragraph-level descriptions. We illustrate the efficiency of our model in audio-visual-language modeling by evaluating it against the proposed benchmark using both conventional captioning metrics and our proposed metrics. We further put our benchmark to the test in video generation models, demonstrating that employing fine-grained video descriptions can create more intricate videos than using captions.

  • 12 authors
·
Mar 27, 2023

DomURLs_BERT: Pre-trained BERT-based Model for Malicious Domains and URLs Detection and Classification

Detecting and classifying suspicious or malicious domain names and URLs is fundamental task in cybersecurity. To leverage such indicators of compromise, cybersecurity vendors and practitioners often maintain and update blacklists of known malicious domains and URLs. However, blacklists frequently fail to identify emerging and obfuscated threats. Over the past few decades, there has been significant interest in developing machine learning models that automatically detect malicious domains and URLs, addressing the limitations of blacklists maintenance and updates. In this paper, we introduce DomURLs_BERT, a pre-trained BERT-based encoder adapted for detecting and classifying suspicious/malicious domains and URLs. DomURLs_BERT is pre-trained using the Masked Language Modeling (MLM) objective on a large multilingual corpus of URLs, domain names, and Domain Generation Algorithms (DGA) dataset. In order to assess the performance of DomURLs_BERT, we have conducted experiments on several binary and multi-class classification tasks involving domain names and URLs, covering phishing, malware, DGA, and DNS tunneling. The evaluations results show that the proposed encoder outperforms state-of-the-art character-based deep learning models and cybersecurity-focused BERT models across multiple tasks and datasets. The pre-training dataset, the pre-trained DomURLs_BERT encoder, and the experiments source code are publicly available.

  • 6 authors
·
Sep 13, 2024

GraphCodeBERT: Pre-training Code Representations with Data Flow

Pre-trained models for programming language have achieved dramatic empirical improvements on a variety of code-related tasks such as code search, code completion, code summarization, etc. However, existing pre-trained models regard a code snippet as a sequence of tokens, while ignoring the inherent structure of code, which provides crucial code semantics and would enhance the code understanding process. We present GraphCodeBERT, a pre-trained model for programming language that considers the inherent structure of code. Instead of taking syntactic-level structure of code like abstract syntax tree (AST), we use data flow in the pre-training stage, which is a semantic-level structure of code that encodes the relation of "where-the-value-comes-from" between variables. Such a semantic-level structure is neat and does not bring an unnecessarily deep hierarchy of AST, the property of which makes the model more efficient. We develop GraphCodeBERT based on Transformer. In addition to using the task of masked language modeling, we introduce two structure-aware pre-training tasks. One is to predict code structure edges, and the other is to align representations between source code and code structure. We implement the model in an efficient way with a graph-guided masked attention function to incorporate the code structure. We evaluate our model on four tasks, including code search, clone detection, code translation, and code refinement. Results show that code structure and newly introduced pre-training tasks can improve GraphCodeBERT and achieves state-of-the-art performance on the four downstream tasks. We further show that the model prefers structure-level attentions over token-level attentions in the task of code search.

  • 18 authors
·
Sep 17, 2020

UNITER: UNiversal Image-TExt Representation Learning

Joint image-text embedding is the bedrock for most Vision-and-Language (V+L) tasks, where multimodality inputs are simultaneously processed for joint visual and textual understanding. In this paper, we introduce UNITER, a UNiversal Image-TExt Representation, learned through large-scale pre-training over four image-text datasets (COCO, Visual Genome, Conceptual Captions, and SBU Captions), which can power heterogeneous downstream V+L tasks with joint multimodal embeddings. We design four pre-training tasks: Masked Language Modeling (MLM), Masked Region Modeling (MRM, with three variants), Image-Text Matching (ITM), and Word-Region Alignment (WRA). Different from previous work that applies joint random masking to both modalities, we use conditional masking on pre-training tasks (i.e., masked language/region modeling is conditioned on full observation of image/text). In addition to ITM for global image-text alignment, we also propose WRA via the use of Optimal Transport (OT) to explicitly encourage fine-grained alignment between words and image regions during pre-training. Comprehensive analysis shows that both conditional masking and OT-based WRA contribute to better pre-training. We also conduct a thorough ablation study to find an optimal combination of pre-training tasks. Extensive experiments show that UNITER achieves new state of the art across six V+L tasks (over nine datasets), including Visual Question Answering, Image-Text Retrieval, Referring Expression Comprehension, Visual Commonsense Reasoning, Visual Entailment, and NLVR^2. Code is available at https://github.com/ChenRocks/UNITER.

  • 8 authors
·
Sep 25, 2019

Selfie: Self-supervised Pretraining for Image Embedding

We introduce a pretraining technique called Selfie, which stands for SELFie supervised Image Embedding. Selfie generalizes the concept of masked language modeling of BERT (Devlin et al., 2019) to continuous data, such as images, by making use of the Contrastive Predictive Coding loss (Oord et al., 2018). Given masked-out patches in an input image, our method learns to select the correct patch, among other "distractor" patches sampled from the same image, to fill in the masked location. This classification objective sidesteps the need for predicting exact pixel values of the target patches. The pretraining architecture of Selfie includes a network of convolutional blocks to process patches followed by an attention pooling network to summarize the content of unmasked patches before predicting masked ones. During finetuning, we reuse the convolutional weights found by pretraining. We evaluate Selfie on three benchmarks (CIFAR-10, ImageNet 32 x 32, and ImageNet 224 x 224) with varying amounts of labeled data, from 5% to 100% of the training sets. Our pretraining method provides consistent improvements to ResNet-50 across all settings compared to the standard supervised training of the same network. Notably, on ImageNet 224 x 224 with 60 examples per class (5%), our method improves the mean accuracy of ResNet-50 from 35.6% to 46.7%, an improvement of 11.1 points in absolute accuracy. Our pretraining method also improves ResNet-50 training stability, especially on low data regime, by significantly lowering the standard deviation of test accuracies across different runs.

  • 3 authors
·
Jun 7, 2019

Long-VITA: Scaling Large Multi-modal Models to 1 Million Tokens with Leading Short-Context Accuracy

We introduce Long-VITA, a simple yet effective large multi-modal model for long-context visual-language understanding tasks. It is adept at concurrently processing and analyzing modalities of image, video, and text over 4K frames or 1M tokens while delivering advanced performances on short-context multi-modal tasks. We propose an effective multi-modal training schema that starts with large language models and proceeds through vision-language alignment, general knowledge learning, and two sequential stages of long-sequence fine-tuning. We further implement context-parallelism distributed inference and logits-masked language modeling head to scale Long-VITA to infinitely long inputs of images and texts during model inference. Regarding training data, Long-VITA is built on a mix of 17M samples from public datasets only and demonstrates the state-of-the-art performance on various multi-modal benchmarks, compared against recent cutting-edge models with internal data. Long-VITA is fully reproducible and supports both NPU and GPU platforms for training and testing. By leveraging our inference designs, Long-VITA models achieve a remarkable 2x prefill speedup and 4x context length extension in single node with 8 GPUs. We hope Long-VITA can serve as a competitive baseline and offer valuable insights for the open-source community in advancing long-context multi-modal understanding.

  • 16 authors
·
Feb 7

Symbolic Discovery of Optimization Algorithms

We present a method to formulate algorithm discovery as program search, and apply it to discover optimization algorithms for deep neural network training. We leverage efficient search techniques to explore an infinite and sparse program space. To bridge the large generalization gap between proxy and target tasks, we also introduce program selection and simplification strategies. Our method discovers a simple and effective optimization algorithm, Lion (Evo\textbf{Lved Sign Momentum}). It is more memory-efficient than Adam as it only keeps track of the momentum. Different from adaptive optimizers, its update has the same magnitude for each parameter calculated through the sign operation. We compare Lion with widely used optimizers, such as Adam and Adafactor, for training a variety of models on different tasks. On image classification, Lion boosts the accuracy of ViT by up to 2% on ImageNet and saves up to 5x the pre-training compute on JFT. On vision-language contrastive learning, we achieve 88.3% zero-shot and 91.1% fine-tuning accuracy on ImageNet, surpassing the previous best results by 2% and 0.1%, respectively. On diffusion models, Lion outperforms Adam by achieving a better FID score and reducing the training compute by up to 2.3x. For autoregressive, masked language modeling, and fine-tuning, Lion exhibits a similar or better performance compared to Adam. Our analysis of Lion reveals that its performance gain grows with the training batch size. It also requires a smaller learning rate than Adam due to the larger norm of the update produced by the sign function. Additionally, we examine the limitations of Lion and identify scenarios where its improvements are small or not statistically significant. The implementation of Lion is publicly available.

  • 12 authors
·
Feb 13, 2023 1

MosaicBERT: A Bidirectional Encoder Optimized for Fast Pretraining

Although BERT-style encoder models are heavily used in NLP research, many researchers do not pretrain their own BERTs from scratch due to the high cost of training. In the past half-decade since BERT first rose to prominence, many advances have been made with other transformer architectures and training configurations that have yet to be systematically incorporated into BERT. Here, we introduce MosaicBERT, a BERT-style encoder architecture and training recipe that is empirically optimized for fast pretraining. This efficient architecture incorporates FlashAttention, Attention with Linear Biases (ALiBi), Gated Linear Units (GLU), a module to dynamically remove padded tokens, and low precision LayerNorm into the classic transformer encoder block. The training recipe includes a 30% masking ratio for the Masked Language Modeling (MLM) objective, bfloat16 precision, and vocabulary size optimized for GPU throughput, in addition to best-practices from RoBERTa and other encoder models. When pretrained from scratch on the C4 dataset, this base model achieves a downstream average GLUE (dev) score of 79.6 in 1.13 hours on 8 A100 80 GB GPUs at a cost of roughly $20. We plot extensive accuracy vs. pretraining speed Pareto curves and show that MosaicBERT base and large are consistently Pareto optimal when compared to a competitive BERT base and large. This empirical speed up in pretraining enables researchers and engineers to pretrain custom BERT-style models at low cost instead of finetune on existing generic models. We open source our model weights and code.

  • 9 authors
·
Dec 29, 2023

BMFM-RNA: An Open Framework for Building and Evaluating Transcriptomic Foundation Models

Transcriptomic foundation models (TFMs) have recently emerged as powerful tools for analyzing gene expression in cells and tissues, supporting key tasks such as cell-type annotation, batch correction, and perturbation prediction. However, the diversity of model implementations and training strategies across recent TFMs, though promising, makes it challenging to isolate the contribution of individual design choices or evaluate their potential synergies. This hinders the field's ability to converge on best practices and limits the reproducibility of insights across studies. We present BMFM-RNA, an open-source, modular software package that unifies diverse TFM pretraining and fine-tuning objectives within a single framework. Leveraging this capability, we introduce a novel training objective, whole cell expression decoder (WCED), which captures global expression patterns using an autoencoder-like CLS bottleneck representation. In this paper, we describe the framework, supported input representations, and training objectives. We evaluated four model checkpoints pretrained on CELLxGENE using combinations of masked language modeling (MLM), WCED and multitask learning. Using the benchmarking capabilities of BMFM-RNA, we show that WCED-based models achieve performance that matches or exceeds state-of-the-art approaches like scGPT across more than a dozen datasets in both zero-shot and fine-tuning tasks. BMFM-RNA, available as part of the biomed-multi-omics project ( https://github.com/BiomedSciAI/biomed-multi-omic ), offers a reproducible foundation for systematic benchmarking and community-driven exploration of optimal TFM training strategies, enabling the development of more effective tools to leverage the latest advances in AI for understanding cell biology.

ibm-research IBM Research
·
Jun 17

Can bidirectional encoder become the ultimate winner for downstream applications of foundation models?

Over the past few decades, Artificial Intelligence(AI) has progressed from the initial machine learning stage to the deep learning stage, and now to the stage of foundational models. Foundational models have the characteristics of pre-training, transfer learning, and self-supervised learning, and pre-trained models can be fine-tuned and applied to various downstream tasks. Under the framework of foundational models, models such as Bidirectional Encoder Representations from Transformers(BERT) and Generative Pre-trained Transformer(GPT) have greatly advanced the development of natural language processing(NLP), especially the emergence of many models based on BERT. BERT broke through the limitation of only using one-way methods for language modeling in pre-training by using a masked language model. It can capture bidirectional context information to predict the masked words in the sequence, this can improve the feature extraction ability of the model. This makes the model very useful for downstream tasks, especially for specialized applications. The model using the bidirectional encoder can better understand the domain knowledge and be better applied to these downstream tasks. So we hope to help understand how this technology has evolved and improved model performance in various natural language processing tasks under the background of foundational models and reveal its importance in capturing context information and improving the model's performance on downstream tasks. This article analyzes one-way and bidirectional models based on GPT and BERT and compares their differences based on the purpose of the model. It also briefly analyzes BERT and the improvements of some models based on BERT. The model's performance on the Stanford Question Answering Dataset(SQuAD) and General Language Understanding Evaluation(GLUE) was compared.

  • 5 authors
·
Nov 26, 2024

Diffusion Sequence Models for Enhanced Protein Representation and Generation

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language Models (pLMs) aim to unlock insights from the vast space of unlabeled protein sequences by learning rich, semantic representations from primary sequences via masked language modeling. However, these models typically exhibit limited generative capacity. In this work, we introduce the Diffusion Sequence Model (DSM), a novel pLM trained with masked diffusion to enable both high-quality representation learning and generative protein design. DSM builds upon the ESM2 architecture by incorporating a masked forward diffusion process inspired by the LLaDA framework. After training, DSM is capable of generating diverse, biomimetic sequences that align with expected amino acid compositions, secondary structures, and predicted functions, even with 90\% token corruption. Furthermore, DSM's learned representations match or exceed those of similarly sized pLMs on downstream tasks. We also introduce DSM(ppi), a variant fine-tuned to generate protein binders by attending to target sequences. We demonstrate DSM(ppi)'s effectiveness on the challenging Bench-tested Binder Benchmark (BenchBB), where both DSM and DSM(ppi) produce candidates with superior predicted binding affinity compared to known binders. Our results establish masked diffusion as a powerful paradigm for unifying protein representation and generation in a single framework.

  • 4 authors
·
Jun 9