Protenix-Mini+: efficient structure prediction model with scalable pairformer
- URL: http://arxiv.org/abs/2510.12842v2
- Date: Thu, 16 Oct 2025 01:57:03 GMT
- Title: Protenix-Mini+: efficient structure prediction model with scalable pairformer
- Authors: Bo Qiang, Chengyue Gong, Xinshi Chen, Yuxuan Zhang, Wenzhi Xiao,
- Abstract summary: Protenix-Mini+ is a highly lightweight and scalable variant of the Protenix model.<n>Within an acceptable range of performance degradation, it substantially improves computational efficiency.
- Score: 17.839471210239186
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: Lightweight inference is critical for biomolecular structure prediction and downstream tasks, enabling efficient real-world deployment and inference-time scaling for large-scale applications. While AF3 and its variants (e.g., Protenix, Chai-1) have advanced structure prediction results, they suffer from critical limitations: high inference latency and cubic time complexity with respect to token count, both of which restrict scalability for large biomolecular complexes. To address the core challenge of balancing model efficiency and prediction accuracy, we introduce three key innovations: (1) compressing non-scalable operations to mitigate cubic time complexity, (2) removing redundant blocks across modules to reduce unnecessary overhead, and (3) adopting a few-step sampler for the atom diffusion module to accelerate inference. Building on these design principles, we develop Protenix-Mini+, a highly lightweight and scalable variant of the Protenix model. Within an acceptable range of performance degradation, it substantially improves computational efficiency. For example, in the case of low-homology single-chain proteins, Protenix-Mini+ experiences an intra-protein LDDT drop of approximately 3% relative to the full Protenix model -- an acceptable performance trade-off given its substantially 90%+ improved computational efficiency.
Related papers
- SaDiT: Efficient Protein Backbone Design via Latent Structural Tokenization and Diffusion Transformers [50.18388227899971]
We present SaDiT, a novel framework that accelerates protein backbone generation by integrating SaProt Tokenization with a Diffusion Transformer (DiT) architecture.<n>Experiments demonstrate that SaDiT outperforms state-of-the-art models, including RFDiffusion and Proteina, in both computational speed and structural viability.
arXiv Detail & Related papers (2026-02-06T13:50:13Z) - Pearl: A Foundation Model for Placing Every Atom in the Right Location [52.35027831422145]
We introduce Pearl, a foundation model for protein-ligand cofolding at scale.<n>Pearl establishes a new state-of-the-art performance in protein-ligand cofolding.<n>Pearl surpasses AlphaFold 3 and other open source baselines on the public Runs N' Poses and PoseBusters benchmarks.
arXiv Detail & Related papers (2025-10-28T17:36:51Z) - Triangle Multiplication Is All You Need For Biomolecular Structure Representations [56.26342479807906]
We introduce Pairmixer, a streamlined alternative that eliminates triangle attention while preserving higher-order geometric reasoning capabilities.<n>Pairmixer substantially improves computational efficiency, matching state-of-the-art structure predictors across folding and docking benchmarks.<n>Within BoltzDesign, for example, Pairmixer delivers over 2x faster sampling and scales to sequences 30% longer than the memory limits of Pairformer.
arXiv Detail & Related papers (2025-10-21T17:59:02Z) - ProteinAE: Protein Diffusion Autoencoders for Structure Encoding [64.77182442408254]
We introduce ProteinAE, a novel and streamlined protein diffusion autoencoder.<n>ProteinAE directly maps protein backbone coordinates from E(3) into a continuous, compact latent space.<n>We demonstrate that ProteinAE achieves state-of-the-art reconstruction quality, outperforming existing autoencoders.
arXiv Detail & Related papers (2025-10-12T14:30:32Z) - PT$^2$-LLM: Post-Training Ternarization for Large Language Models [52.4629647715623]
Large Language Models (LLMs) have shown impressive capabilities across diverse tasks, but their large memory and compute demands hinder deployment.<n>We propose PT$2$-LLM, a post-training ternarization framework tailored for LLMs.<n>At its core is an Asymmetric Ternary Quantizer equipped with a two-stage refinement pipeline.
arXiv Detail & Related papers (2025-09-27T03:01:48Z) - Protenix-Mini: Efficient Structure Predictor via Compact Architecture, Few-Step Diffusion and Switchable pLM [37.865341638265534]
We present Protenix-Mini, a compact and optimized model for efficient protein structure prediction.<n>By eliminating redundant Transformer components and refining the sampling process, Protenix-Mini significantly reduces model complexity with slight accuracy drop.
arXiv Detail & Related papers (2025-07-16T02:08:25Z) - LightNobel: Improving Sequence Length Limitation in Protein Structure Prediction Model via Adaptive Activation Quantization [0.7373617024876725]
We present LightNobel, the first hardware-software co-designed accelerator to overcome scalability limitations on the sequence length in Protein Structure Prediction Models (PPMs)<n>At the software level, we propose Token-wise Adaptive Activation Quantization (AAQ) to enable fine-grained quantization techniques without compromising accuracy.<n>At the hardware level, LightNobel integrates the multi-precision reconfigurable matrix processing unit (RMPU) and versatile vector processing unit (VVPU) to enable the efficient execution of AAQ.
arXiv Detail & Related papers (2025-05-09T09:01:10Z) - Fast and Accurate Blind Flexible Docking [79.88520988144442]
Molecular docking that predicts the bound structures of small molecules (ligands) to their protein targets plays a vital role in drug discovery.<n>We propose FABFlex, a fast and accurate regression-based multi-task learning model designed for realistic blind flexible docking scenarios.
arXiv Detail & Related papers (2025-02-20T07:31:13Z) - EffiCANet: Efficient Time Series Forecasting with Convolutional Attention [12.784289506021265]
EffiCANet is designed to enhance forecasting accuracy while maintaining computational efficiency.
EffiCANet achieves the maximum reduction of 10.02% in MAE over state-of-the-art models.
arXiv Detail & Related papers (2024-11-07T12:54:42Z) - Kolmogorov-Arnold Transformer [72.88137795439407]
We introduce the Kolmogorov-Arnold Transformer (KAT), a novel architecture that replaces layers with Kolmogorov-Arnold Network (KAN) layers.
We identify three key challenges: (C1) Base function, (C2) Inefficiency, and (C3) Weight.
With these designs, KAT outperforms traditional-based transformers.
arXiv Detail & Related papers (2024-09-16T17:54:51Z) - Ophiuchus: Scalable Modeling of Protein Structures through Hierarchical
Coarse-graining SO(3)-Equivariant Autoencoders [1.8835495377767553]
Three-dimensional native states of natural proteins display recurring and hierarchical patterns.
Traditional graph-based modeling of protein structures is often limited to operate within a single fine-grained resolution.
We introduce Ophiuchus, an SO(3)-equivariant coarse-graining model that efficiently operates on all-atom protein structures.
arXiv Detail & Related papers (2023-10-04T01:01:11Z) - Flash-LLM: Enabling Cost-Effective and Highly-Efficient Large Generative
Model Inference with Unstructured Sparsity [12.663030430488922]
We propose Flash-LLM for enabling low-cost and highly-efficient large generative model inference on high-performance Cores.
At SpMM kernel level, Flash-LLM significantly outperforms the state-of-the-art library, i.e., Sputnik and SparTA by an average of 2.9x and 1.5x, respectively.
arXiv Detail & Related papers (2023-09-19T03:20:02Z) - MoEfication: Conditional Computation of Transformer Models for Efficient
Inference [66.56994436947441]
Transformer-based pre-trained language models can achieve superior performance on most NLP tasks due to large parameter capacity, but also lead to huge computation cost.
We explore to accelerate large-model inference by conditional computation based on the sparse activation phenomenon.
We propose to transform a large model into its mixture-of-experts (MoE) version with equal model size, namely MoEfication.
arXiv Detail & Related papers (2021-10-05T02:14:38Z) - FastFlowNet: A Lightweight Network for Fast Optical Flow Estimation [81.76975488010213]
Dense optical flow estimation plays a key role in many robotic vision tasks.
Current networks often occupy large number of parameters and require heavy computation costs.
Our proposed FastFlowNet works in the well-known coarse-to-fine manner with following innovations.
arXiv Detail & Related papers (2021-03-08T03:09:37Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.