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May 11

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

MACE-Dance: Motion-Appearance Cascaded Experts for Music-Driven Dance Video Generation

With the rise of online dance-video platforms and rapid advances in AI-generated content (AIGC), music-driven dance generation has emerged as a compelling research direction. Despite substantial progress in related domains such as music-driven 3D dance generation, pose-driven image animation, and audio-driven talking-head synthesis, existing methods cannot be directly adapted to this task. Moreover, the limited studies in this area still struggle to jointly achieve high-quality visual appearance and realistic human motion. Accordingly, we present MACE-Dance, a music-driven dance video generation framework with cascaded Mixture-of-Experts (MoE). The Motion Expert performs music-to-3D motion generation while enforcing kinematic plausibility and artistic expressiveness, whereas the Appearance Expert carries out motion- and reference-conditioned video synthesis, preserving visual identity with spatiotemporal coherence. Specifically, the Motion Expert adopts a diffusion model with a BiMamba-Transformer hybrid architecture and a Guidance-Free Training (GFT) strategy, achieving state-of-the-art (SOTA) performance in 3D dance generation. The Appearance Expert employs a decoupled kinematic-aesthetic fine-tuning strategy, achieving state-of-the-art (SOTA) performance in pose-driven image animation. To better benchmark this task, we curate a large-scale and diverse dataset and design a motion-appearance evaluation protocol. Based on this protocol, MACE-Dance also achieves state-of-the-art performance. Code is available at https://github.com/AMAP-ML/MACE-Dance.

GD-ML AMAP-ML
·
May 6 1

Bi-Mamba: Towards Accurate 1-Bit State Space Models

The typical Selective State-Space Model (SSM) used in Mamba addresses several limitations of Transformers, such as the quadratic computational complexity with respect to sequence length and the significant memory requirements during inference due to the key-value (KV) cache. However, the increasing size of Mamba models continues to pose challenges for training and deployment, particularly due to their substantial computational demands during both training and inference. In this work, we introduce Bi-Mamba, a scalable and powerful 1-bit Mamba architecture designed to enable more efficient large language models (LLMs), with model sizes of 780M, 1.3B, and 2.7B parameters. Bi-Mamba models are trained from scratch on a standard LLM-scale dataset using an autoregressive distillation loss. Extensive experiments on language modeling benchmarks demonstrate that Bi-Mamba achieves performance comparable to its full-precision (FP16 or BF16) counterparts, while outperforming post-training binarization (PTB) Mamba and binarization-aware training (BAT) Transformer baselines. Moreover, Bi-Mamba drastically reduces memory usage and computational cost compared to the original Mamba. Our work pioneers a new line of linear-complexity LLMs under low-bit representation and provides the way for the design of specialized hardware optimized for efficient 1-bit Mamba-based models. Code and the pre-trained weights are available at https://github.com/Tangshengku/Bi-Mamba.

  • 5 authors
·
Nov 18, 2024

Harnessing Selective State Space Models to Enhance Semianalytical Design of Fabrication-Ready Multilayered Huygens' Metasurfaces: Part II - Generative Inverse Design (MetaMamba)

We present a generative framework for inverse design of five-layer transmissive Huygens' metasurfaces (HMSs), addressing a longstanding challenge in achieving full-phase, high-efficiency unit cell designs with minimal full-wave simulations. The key to achieving this is our reliance on the field-based semianalytical (SA) scheme developed in Part I of this paper, which allows rapid and highly effective synthesis of such multilayer composites, however with limited accuracy. To overcome the prohibitive data demands of traditional pipelines, we employ Mamba, a selective state space model well suited for long-range sequence modeling as the backbone of our learning framework. A bidirectional Mamba (Bi-Mamba) forward surrogate is first trained on SA-generated data and subsequently fine-tuned with full-wave CST samples. An ablation over a 1080-sample CST pool shows that as few as 270 full-wave calibration samples suffice to reach near-CST-level agreement at a fraction of the simulation cost. An autoregressive Mamba inverse generator is subsequently trained on surrogate-augmented data, treating unit-cell synthesis as a sequential generation task. The resulting one-to-many generative model produces diverse unit cell geometries conditioned on target scattering responses. It achieves CST-validated designs with field transmission magnitude 0.9 across the full 0-2π phase range at 20 GHz. Moreover, a CST-calibrated surrogate trained to accurately predict frequency responses (18-22 GHz) enables functional post-selection of inverse generated designs. Together, the hybrid SA-generative methodology in this two-part compilation establishes a scalable and data-efficient solution for multilayer HMS synthesis, with natural extensions toward broadband, oblique-incidence, and higher-dimensional electromagnetic inverse-design problems.

  • 5 authors
·
Mar 4

MambaTrack: A Simple Baseline for Multiple Object Tracking with State Space Model

Tracking by detection has been the prevailing paradigm in the field of Multi-object Tracking (MOT). These methods typically rely on the Kalman Filter to estimate the future locations of objects, assuming linear object motion. However, they fall short when tracking objects exhibiting nonlinear and diverse motion in scenarios like dancing and sports. In addition, there has been limited focus on utilizing learning-based motion predictors in MOT. To address these challenges, we resort to exploring data-driven motion prediction methods. Inspired by the great expectation of state space models (SSMs), such as Mamba, in long-term sequence modeling with near-linear complexity, we introduce a Mamba-based motion model named Mamba moTion Predictor (MTP). MTP is designed to model the complex motion patterns of objects like dancers and athletes. Specifically, MTP takes the spatial-temporal location dynamics of objects as input, captures the motion pattern using a bi-Mamba encoding layer, and predicts the next motion. In real-world scenarios, objects may be missed due to occlusion or motion blur, leading to premature termination of their trajectories. To tackle this challenge, we further expand the application of MTP. We employ it in an autoregressive way to compensate for missing observations by utilizing its own predictions as inputs, thereby contributing to more consistent trajectories. Our proposed tracker, MambaTrack, demonstrates advanced performance on benchmarks such as Dancetrack and SportsMOT, which are characterized by complex motion and severe occlusion.

  • 4 authors
·
Aug 17, 2024