相关论文: One protein is all you need

While modern biotechnologies allow synthesizing new proteins and function measurements at scale, efficiently exploring a protein sequence space and engineering it remains a daunting task due to the vast sequence space of any given protein.…

Antibodies are vital proteins offering robust protection for the human body from pathogens. The development of general protein and antibody-specific pre-trained language models both facilitate antibody prediction tasks. However, there have…

Pretraining DNA language models (DNALMs) on the full human genome is resource-intensive, yet often considered necessary for strong downstream performance. Inspired by recent findings in NLP and long-context modeling, we explore an…

Proteins need to selectively interact with specific targets among a multitude of similar molecules in the cell. But despite a firm physical understanding of binding interactions, we lack a general theory of how proteins evolve high…

Population Based Training (PBT) is a recent approach that jointly optimizes neural network weights and hyperparameters which periodically copies weights of the best performers and mutates hyperparameters during training. Previous PBT…

In post genomic era with the advent of new technologies a huge amount of complex molecular data are generated with high throughput. The management of this biological data is definitely a challenging task due to complexity and heterogeneity…

Deploying models on target domain data subject to distribution shift requires adaptation. Test-time training (TTT) emerges as a solution to this adaptation under a realistic scenario where access to full source domain data is not available…

Tabular data prediction is a fundamental machine learning task for many applications. Existing methods predominantly employ discriminative modeling and operate under the assumption of a fixed target column, necessitating re-training for…

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its…

Deep neural networks often fail to generalize outside of their training distribution, in particular when only a single data domain is available during training. While test-time adaptation has yielded encouraging results in this setting, we…

Test-time training (TTT) methods explicitly update the weights of a model to adapt to the specific test instance, and they have found success in a variety of settings, including most recently language modeling and reasoning. To demystify…

Large language models (LLMs) are typically deployed with fixed parameters, and their performance is often improved by allocating more computation at inference time. While such test-time scaling can be effective, it cannot correct model…

Data augmentation is known to contribute significantly to the robustness of machine learning models. In most instances, data augmentation is utilized during the training phase. Test-Time Augmentation (TTA) is a technique that instead…

Generalizing deep learning models to unknown target domain distribution with low latency has motivated research into test-time training/adaptation (TTT/TTA). Existing approaches often focus on improving test-time training performance under…

Machine translation (MT) systems, especially when designed for an industrial setting, are trained with general parallel data derived from the Web. Thus, their style is typically driven by word/structure distribution coming from the average…

We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-training and downstream tasks on both experimental and…

While DeepMind has tentatively solved protein folding, its inverse problem -- protein design which predicts protein sequences from their 3D structures -- still faces significant challenges. Particularly, the lack of large-scale standardized…

Real-world model deployments demand strong performance on narrow domains where data is often scarce. Typically, practitioners finetune models to specialize them, but this risks overfitting to the domain and forgetting general knowledge. We…

Recent advances in Artificial Intelligence have enabled multi-modal systems to model and translate diverse information spaces. Extending beyond text and vision, we introduce OneProt, a multi-modal AI for proteins that integrates structural,…

Popular PEFT methods reduce trainable parameter count for fine-tuning by parameterizing new low-rank or sparse trainable weights in parallel to the frozen pre-trained weights $W$. However, these weights are trained from scratch, and there…