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SubscribeMSA-3D: Metallicity Gradients in Galaxies at $z\sim1$ with JWST/NIRSpec Slit-stepping Spectroscopy
The radial gradient of gas-phase metallicity is a powerful probe of the chemical and structural evolution of star-forming galaxies, closely tied to disk formation and gas kinematics in the early universe. We present spatially resolved chemical and dynamical properties for a sample of 25 galaxies at 0.5 lesssim z lesssim 1.7 from the \msasd survey. These innovative observations provide 3D spectroscopy of galaxies at a spatial resolution approaching JWST's diffraction limit and a high spectral resolution of Rsimeq2700. The metallicity gradients measured in our galaxy sample range from -0.03 to 0.02 dex~kpc^{-1}. Most galaxies exhibit negative or flat radial gradients, indicating lower metallicity in the outskirts or uniform metallicity throughout the entire galaxy. We confirm a tight relationship between stellar mass and metallicity gradient at zsim1 with small intrinsic scatter of 0.02 dex~kpc^{-1}. Our results indicate that metallicity gradients become increasingly negative as stellar mass increases, likely because the more massive galaxies tend to be more ``disky". This relationship is consistent with the predictions from cosmological hydrodynamic zoom-in simulations with strong stellar feedback. This work presents the effort to harness the multiplexing capability of JWST NIRSpec/MSA in slit-stepping mode to map the chemical and kinematic profiles of high-redshift galaxies in large samples and at high spatial and spectral resolution.
MSAGPT: Neural Prompting Protein Structure Prediction via MSA Generative Pre-Training
Multiple Sequence Alignment (MSA) plays a pivotal role in unveiling the evolutionary trajectories of protein families. The accuracy of protein structure predictions is often compromised for protein sequences that lack sufficient homologous information to construct high quality MSA. Although various methods have been proposed to generate virtual MSA under these conditions, they fall short in comprehensively capturing the intricate coevolutionary patterns within MSA or require guidance from external oracle models. Here we introduce MSAGPT, a novel approach to prompt protein structure predictions via MSA generative pretraining in the low MSA regime. MSAGPT employs a simple yet effective 2D evolutionary positional encoding scheme to model complex evolutionary patterns. Endowed by this, its flexible 1D MSA decoding framework facilitates zero or few shot learning. Moreover, we demonstrate that leveraging the feedback from AlphaFold2 can further enhance the model capacity via Rejective Fine tuning (RFT) and Reinforcement Learning from AF2 Feedback (RLAF). Extensive experiments confirm the efficacy of MSAGPT in generating faithful virtual MSA to enhance the structure prediction accuracy. The transfer learning capabilities also highlight its great potential for facilitating other protein tasks.
BD-MSA: Body decouple VHR Remote Sensing Image Change Detection method guided by multi-scale feature information aggregation
The purpose of remote sensing image change detection (RSCD) is to detect differences between bi-temporal images taken at the same place. Deep learning has been extensively used to RSCD tasks, yielding significant results in terms of result recognition. However, due to the shooting angle of the satellite, the impacts of thin clouds, and certain lighting conditions, the problem of fuzzy edges in the change region in some remote sensing photographs cannot be properly handled using current RSCD algorithms. To solve this issue, we proposed a Body Decouple Multi-Scale by fearure Aggregation change detection (BD-MSA), a novel model that collects both global and local feature map information in the channel and space dimensions of the feature map during the training and prediction phases. This approach allows us to successfully extract the change region's boundary information while also divorcing the change region's main body from its boundary. Numerous studies have shown that the assessment metrics and evaluation effects of the model described in this paper on the publicly available datasets DSIFN-CD, S2Looking and WHU-CD are the best when compared to other models.
xTrimoABFold: De novo Antibody Structure Prediction without MSA
In the field of antibody engineering, an essential task is to design a novel antibody whose paratopes bind to a specific antigen with correct epitopes. Understanding antibody structure and its paratope can facilitate a mechanistic understanding of its function. Therefore, antibody structure prediction from its sequence alone has always been a highly valuable problem for de novo antibody design. AlphaFold2, a breakthrough in the field of structural biology, provides a solution to predict protein structure based on protein sequences and computationally expensive coevolutionary multiple sequence alignments (MSAs). However, the computational efficiency and undesirable prediction accuracy of antibodies, especially on the complementarity-determining regions (CDRs) of antibodies limit their applications in the industrially high-throughput drug design. To learn an informative representation of antibodies, we employed a deep antibody language model (ALM) on curated sequences from the observed antibody space database via a transformer model. We also developed a novel model named xTrimoABFold to predict antibody structure from antibody sequence based on the pretrained ALM as well as efficient evoformers and structural modules. The model was trained end-to-end on the antibody structures in PDB by minimizing the ensemble loss of domain-specific focal loss on CDR and the frame-aligned point loss. xTrimoABFold outperforms AlphaFold2 and other protein language model based SOTAs, e.g., OmegaFold, HelixFold-Single, and IgFold with a large significant margin (30+\% improvement on RMSD) while performing 151 times faster than AlphaFold2. To the best of our knowledge, xTrimoABFold achieved state-of-the-art antibody structure prediction. Its improvement in both accuracy and efficiency makes it a valuable tool for de novo antibody design and could make further improvements in immuno-theory.
HumBugDB: A Large-scale Acoustic Mosquito Dataset
This paper presents the first large-scale multi-species dataset of acoustic recordings of mosquitoes tracked continuously in free flight. We present 20 hours of audio recordings that we have expertly labelled and tagged precisely in time. Significantly, 18 hours of recordings contain annotations from 36 different species. Mosquitoes are well-known carriers of diseases such as malaria, dengue and yellow fever. Collecting this dataset is motivated by the need to assist applications which utilise mosquito acoustics to conduct surveys to help predict outbreaks and inform intervention policy. The task of detecting mosquitoes from the sound of their wingbeats is challenging due to the difficulty in collecting recordings from realistic scenarios. To address this, as part of the HumBug project, we conducted global experiments to record mosquitoes ranging from those bred in culture cages to mosquitoes captured in the wild. Consequently, the audio recordings vary in signal-to-noise ratio and contain a broad range of indoor and outdoor background environments from Tanzania, Thailand, Kenya, the USA and the UK. In this paper we describe in detail how we collected, labelled and curated the data. The data is provided from a PostgreSQL database, which contains important metadata such as the capture method, age, feeding status and gender of the mosquitoes. Additionally, we provide code to extract features and train Bayesian convolutional neural networks for two key tasks: the identification of mosquitoes from their corresponding background environments, and the classification of detected mosquitoes into species. Our extensive dataset is both challenging to machine learning researchers focusing on acoustic identification, and critical to entomologists, geo-spatial modellers and other domain experts to understand mosquito behaviour, model their distribution, and manage the threat they pose to humans.
Atlas: Multi-Scale Attention Improves Long Context Image Modeling
Efficiently modeling massive images is a long-standing challenge in machine learning. To this end, we introduce Multi-Scale Attention (MSA). MSA relies on two key ideas, (i) multi-scale representations (ii) bi-directional cross-scale communication. MSA creates O(log N) scales to represent the image across progressively coarser features and leverages cross-attention to propagate information across scales. We then introduce Atlas, a novel neural network architecture based on MSA. We demonstrate that Atlas significantly improves the compute-performance tradeoff of long-context image modeling in a high-resolution variant of ImageNet 100. At 1024px resolution, Atlas-B achieves 91.04% accuracy, comparable to ConvNext-B (91.92%) while being 4.3x faster. Atlas is 2.95x faster and 7.38% better than FasterViT, 2.25x faster and 4.96% better than LongViT. In comparisons against MambaVision-S, we find Atlas-S achieves 5%, 16% and 32% higher accuracy at 1024px, 2048px and 4096px respectively, while obtaining similar runtimes. Code for reproducing our experiments and pretrained models is available at https://github.com/yalalab/atlas.
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.
Enhancing the Protein Tertiary Structure Prediction by Multiple Sequence Alignment Generation
The field of protein folding research has been greatly advanced by deep learning methods, with AlphaFold2 (AF2) demonstrating exceptional performance and atomic-level precision. As co-evolution is integral to protein structure prediction, AF2's accuracy is significantly influenced by the depth of multiple sequence alignment (MSA), which requires extensive exploration of a large protein database for similar sequences. However, not all protein sequences possess abundant homologous families, and consequently, AF2's performance can degrade on such queries, at times failing to produce meaningful results. To address this, we introduce a novel generative language model, MSA-Augmenter, which leverages protein-specific attention mechanisms and large-scale MSAs to generate useful, novel protein sequences not currently found in databases. These sequences supplement shallow MSAs, enhancing the accuracy of structural property predictions. Our experiments on CASP14 demonstrate that MSA-Augmenter can generate de novo sequences that retain co-evolutionary information from inferior MSAs, thereby improving protein structure prediction quality on top of strong AF2.
Interpreting CLIP with Hierarchical Sparse Autoencoders
Sparse autoencoders (SAEs) are useful for detecting and steering interpretable features in neural networks, with particular potential for understanding complex multimodal representations. Given their ability to uncover interpretable features, SAEs are particularly valuable for analyzing large-scale vision-language models (e.g., CLIP and SigLIP), which are fundamental building blocks in modern systems yet remain challenging to interpret and control. However, current SAE methods are limited by optimizing both reconstruction quality and sparsity simultaneously, as they rely on either activation suppression or rigid sparsity constraints. To this end, we introduce Matryoshka SAE (MSAE), a new architecture that learns hierarchical representations at multiple granularities simultaneously, enabling a direct optimization of both metrics without compromise. MSAE establishes a new state-of-the-art Pareto frontier between reconstruction quality and sparsity for CLIP, achieving 0.99 cosine similarity and less than 0.1 fraction of variance unexplained while maintaining ~80% sparsity. Finally, we demonstrate the utility of MSAE as a tool for interpreting and controlling CLIP by extracting over 120 semantic concepts from its representation to perform concept-based similarity search and bias analysis in downstream tasks like CelebA.
Advancing Anomaly Detection: An Adaptation Model and a New Dataset
Industry surveillance is widely applicable in sectors like retail, manufacturing, education, and smart cities, each presenting unique anomalies requiring specialized detection. However, adapting anomaly detection models to novel viewpoints within the same scenario poses challenges. Extending these models to entirely new scenarios necessitates retraining or fine-tuning, a process that can be time consuming. To address these challenges, we propose the Scenario-Adaptive Anomaly Detection (SA2D) method, leveraging the few-shot learning framework for faster adaptation of pre-trained models to new concepts. Despite this approach, a significant challenge emerges from the absence of a comprehensive dataset with diverse scenarios and camera views. In response, we introduce the Multi-Scenario Anomaly Detection (MSAD) dataset, encompassing 14 distinct scenarios captured from various camera views. This real-world dataset is the first high-resolution anomaly detection dataset, offering a solid foundation for training superior models. MSAD includes diverse normal motion patterns, incorporating challenging variations like different lighting and weather conditions. Through experimentation, we validate the efficacy of SA2D, particularly when trained on the MSAD dataset. Our results show that SA2D not only excels under novel viewpoints within the same scenario but also demonstrates competitive performance when faced with entirely new scenarios. This highlights our method's potential in addressing challenges in detecting anomalies across diverse and evolving surveillance scenarios.
How Do Vision Transformers Work?
The success of multi-head self-attentions (MSAs) for computer vision is now indisputable. However, little is known about how MSAs work. We present fundamental explanations to help better understand the nature of MSAs. In particular, we demonstrate the following properties of MSAs and Vision Transformers (ViTs): (1) MSAs improve not only accuracy but also generalization by flattening the loss landscapes. Such improvement is primarily attributable to their data specificity, not long-range dependency. On the other hand, ViTs suffer from non-convex losses. Large datasets and loss landscape smoothing methods alleviate this problem; (2) MSAs and Convs exhibit opposite behaviors. For example, MSAs are low-pass filters, but Convs are high-pass filters. Therefore, MSAs and Convs are complementary; (3) Multi-stage neural networks behave like a series connection of small individual models. In addition, MSAs at the end of a stage play a key role in prediction. Based on these insights, we propose AlterNet, a model in which Conv blocks at the end of a stage are replaced with MSA blocks. AlterNet outperforms CNNs not only in large data regimes but also in small data regimes. The code is available at https://github.com/xxxnell/how-do-vits-work.
Overcoming Data Scarcity in Multi-Dialectal Arabic ASR via Whisper Fine-Tuning
Although commercial Arabic automatic speech recognition (ASR) systems support Modern Standard Arabic (MSA), they struggle with dialectal speech. We investigate the effect of fine-tuning OpenAI's Whisper on five major Arabic dialects (Gulf, Levantine, Iraqi, Egyptian, Maghrebi) using Mozilla Common Voice for MSA and the MASC dataset for dialectal speech. We evaluate MSA training size effects, benefits of pre-training on MSA data, and dialect-specific versus dialect-pooled models. We find that small amounts of MSA fine-tuning data yield substantial improvements for smaller models, matching larger non-fine-tuned models. While MSA pre-training shows minimal benefit, suggesting limited shared features between MSA and dialects, our dialect-pooled models perform comparably to dialect-specific ones. This indicates that pooling dialectal data, when properly balanced, can help address data scarcity in low-resource ASR without significant performance loss.
Echotune: A Modular Extractor Leveraging the Variable-Length Nature of Speech in ASR Tasks
The Transformer architecture has proven to be highly effective for Automatic Speech Recognition (ASR) tasks, becoming a foundational component for a plethora of research in the domain. Historically, many approaches have leaned on fixed-length attention windows, which becomes problematic for varied speech samples in duration and complexity, leading to data over-smoothing and neglect of essential long-term connectivity. Addressing this limitation, we introduce Echo-MSA, a nimble module equipped with a variable-length attention mechanism that accommodates a range of speech sample complexities and durations. This module offers the flexibility to extract speech features across various granularities, spanning from frames and phonemes to words and discourse. The proposed design captures the variable length feature of speech and addresses the limitations of fixed-length attention. Our evaluation leverages a parallel attention architecture complemented by a dynamic gating mechanism that amalgamates traditional attention with the Echo-MSA module output. Empirical evidence from our study reveals that integrating Echo-MSA into the primary model's training regime significantly enhances the word error rate (WER) performance, all while preserving the intrinsic stability of the original model.
Modeling Open-World Cognition as On-Demand Synthesis of Probabilistic Models
When faced with novel situations, people are able to marshal relevant considerations from a wide range of background knowledge and put these to use in inferences and predictions. What permits us to draw in globally relevant information and reason over it coherently? Here, we explore the hypothesis that people use a combination of distributed and symbolic representations to construct bespoke mental models tailored to novel situations. We propose a computational implementation of this idea -- a ``Model Synthesis Architecture'' (MSA) -- using language models to implement global relevance-based retrieval and model synthesis and probabilistic programs to implement bespoke, coherent world models. We evaluate our MSA as a model of human judgments on a novel reasoning dataset. The dataset -- built around a `Model Olympics` domain of sports vignettes -- tests models' capacity for human-like, open-ended reasoning by requiring (i) judgments about novel causal structures described in language; (ii) drawing on large bodies of background knowledge; and (iii) doing both in light of observations that introduce arbitrary novel variables. Our MSA approach captures human judgments better than language model-only baselines, under both direct and chain-of-thought generations from the LM that supports model synthesis. These results suggest that MSAs can be implemented in a way that mirrors people's ability to deliver locally coherent reasoning over globally relevant variables, offering a path to understanding and replicating human reasoning in open-ended domains.
TiC: Exploring Vision Transformer in Convolution
While models derived from Vision Transformers (ViTs) have been phonemically surging, pre-trained models cannot seamlessly adapt to arbitrary resolution images without altering the architecture and configuration, such as sampling the positional encoding, limiting their flexibility for various vision tasks. For instance, the Segment Anything Model (SAM) based on ViT-Huge requires all input images to be resized to 1024times1024. To overcome this limitation, we propose the Multi-Head Self-Attention Convolution (MSA-Conv) that incorporates Self-Attention within generalized convolutions, including standard, dilated, and depthwise ones. Enabling transformers to handle images of varying sizes without retraining or rescaling, the use of MSA-Conv further reduces computational costs compared to global attention in ViT, which grows costly as image size increases. Later, we present the Vision Transformer in Convolution (TiC) as a proof of concept for image classification with MSA-Conv, where two capacity enhancing strategies, namely Multi-Directional Cyclic Shifted Mechanism and Inter-Pooling Mechanism, have been proposed, through establishing long-distance connections between tokens and enlarging the effective receptive field. Extensive experiments have been carried out to validate the overall effectiveness of TiC. Additionally, ablation studies confirm the performance improvement made by MSA-Conv and the two capacity enhancing strategies separately. Note that our proposal aims at studying an alternative to the global attention used in ViT, while MSA-Conv meets our goal by making TiC comparable to state-of-the-art on ImageNet-1K. Code will be released at https://github.com/zs670980918/MSA-Conv.
Scratching Visual Transformer's Back with Uniform Attention
The favorable performance of Vision Transformers (ViTs) is often attributed to the multi-head self-attention (MSA). The MSA enables global interactions at each layer of a ViT model, which is a contrasting feature against Convolutional Neural Networks (CNNs) that gradually increase the range of interaction across multiple layers. We study the role of the density of the attention. Our preliminary analyses suggest that the spatial interactions of attention maps are close to dense interactions rather than sparse ones. This is a curious phenomenon, as dense attention maps are harder for the model to learn due to steeper softmax gradients around them. We interpret this as a strong preference for ViT models to include dense interaction. We thus manually insert the uniform attention to each layer of ViT models to supply the much needed dense interactions. We call this method Context Broadcasting, CB. We observe that the inclusion of CB reduces the degree of density in the original attention maps and increases both the capacity and generalizability of the ViT models. CB incurs negligible costs: 1 line in your model code, no additional parameters, and minimal extra operations.