Daily Papers

Multi-horizon forecasting problems often contain a complex mix of inputs -- including static (i.e. time-invariant) covariates, known future inputs, and other exogenous time series that are only observed historically -- without any prior information on how they interact with the target. While several deep learning models have been proposed for multi-step prediction, they typically comprise black-box models which do not account for the full range of inputs present in common scenarios. In this paper, we introduce the Temporal Fusion Transformer (TFT) -- a novel attention-based architecture which combines high-performance multi-horizon forecasting with interpretable insights into temporal dynamics. To learn temporal relationships at different scales, the TFT utilizes recurrent layers for local processing and interpretable self-attention layers for learning long-term dependencies. The TFT also uses specialized components for the judicious selection of relevant features and a series of gating layers to suppress unnecessary components, enabling high performance in a wide range of regimes. On a variety of real-world datasets, we demonstrate significant performance improvements over existing benchmarks, and showcase three practical interpretability use-cases of TFT.

Semantic representation and inference is essential for Natural Language Processing (NLP). The state of the art for semantic representation and inference is deep learning, and particularly Recurrent Neural Networks (RNNs), Convolutional Neural Networks (CNNs), and transformer Self-Attention models. This thesis investigates the use of deep learning for novel semantic representation and inference, and makes contributions in the following three areas: creating training data, improving semantic representations and extending inference learning. In terms of creating training data, we contribute the largest publicly available dataset of real-life factual claims for the purpose of automatic claim verification (MultiFC), and we present a novel inference model composed of multi-scale CNNs with different kernel sizes that learn from external sources to infer fact checking labels. In terms of improving semantic representations, we contribute a novel model that captures non-compositional semantic indicators. By definition, the meaning of a non-compositional phrase cannot be inferred from the individual meanings of its composing words (e.g., hot dog). Motivated by this, we operationalize the compositionality of a phrase contextually by enriching the phrase representation with external word embeddings and knowledge graphs. Finally, in terms of inference learning, we propose a series of novel deep learning architectures that improve inference by using syntactic dependencies, by ensembling role guided attention heads, incorporating gating layers, and concatenating multiple heads in novel and effective ways. This thesis consists of seven publications (five published and two under review).

Gated Linear Units (GLUs) have become essential components in the feed-forward networks of state-of-the-art Large Language Models (LLMs). However, they require twice as many memory reads compared to feed-forward layers without gating, due to the use of separate weight matrices for the gate and value streams. To address this bottleneck, we introduce Masked Gated Linear Units (MGLUs), a novel family of GLUs with an efficient kernel implementation. The core contribution of MGLUs include: (1) the Mixture of Element-wise Gating (MoEG) architecture that learns multiple binary masks, each determining gate or value assignments at the element level on a single shared weight matrix resulting in reduced memory transfer, and (2) FlashMGLU, a hardware-friendly kernel that yields up to a 19.7 times inference-time speed-up over a naive PyTorch MGLU and is 47% more memory-efficient and 34% faster than standard GLUs despite added architectural complexity on an RTX5090 GPU. In LLM experiments, the Swish-activated variant SwiMGLU preserves its memory advantages while matching - or even surpassing - the downstream accuracy of the SwiGLU baseline.

Mixtures of Experts combine the outputs of several "expert" networks, each of which specializes in a different part of the input space. This is achieved by training a "gating" network that maps each input to a distribution over the experts. Such models show promise for building larger networks that are still cheap to compute at test time, and more parallelizable at training time. In this this work, we extend the Mixture of Experts to a stacked model, the Deep Mixture of Experts, with multiple sets of gating and experts. This exponentially increases the number of effective experts by associating each input with a combination of experts at each layer, yet maintains a modest model size. On a randomly translated version of the MNIST dataset, we find that the Deep Mixture of Experts automatically learns to develop location-dependent ("where") experts at the first layer, and class-specific ("what") experts at the second layer. In addition, we see that the different combinations are in use when the model is applied to a dataset of speech monophones. These demonstrate effective use of all expert combinations.

We introduce GateSkip, a simple residual-stream gating mechanism that enables token-wise layer skipping in decoder-only LMs. Each Attention/MLP branch is equipped with a sigmoid-linear gate that condenses the branch's output before it re-enters the residual stream. During inference we rank tokens by the gate values and skip low-importance ones using a per-layer budget. While early-exit or router-based Mixture-of-Depths models are known to be unstable and need extensive retraining, our smooth, differentiable gates fine-tune stably on top of pretrained models. On long-form reasoning, we save up to 15\% compute while retaining over 90\% of baseline accuracy. On instruction-tuned models we see accuracy gains at full compute and match baseline quality near 50\% savings. The learned gates give insight into transformer information flow (e.g., BOS tokens act as anchors), and the method combines easily with quantization, pruning, and self-speculative decoding.

Conditional computation is a popular strategy to make Transformers more efficient. Existing methods often target individual modules (e.g., mixture-of-experts layers) or skip layers independently of one another. However, interpretability research has demonstrated that the middle layers of Transformers exhibit greater redundancy, and that early layers aggregate information into token positions. Guided by these insights, we propose a novel architecture that dynamically skips a variable number of layers from the middle outward. In particular, a learned gating mechanism determines whether to bypass a symmetric span of central blocks based on the input, and a gated attention mechanism prevents subsequent tokens from attending to skipped token positions. Residual norms are controlled with a 'sandwich' or 'perilayernorm' scheme and gate sparsity with an adaptive regularization loss. We had aimed to reduce compute requirements for 'simpler' tokens and potentially foster an emergent multi-level representational hierarchy but, at the scales investigated, our approach does not achieve improvements in the trade-off between validation cross-entropy and estimated FLOPs compared to dense baselines with fewer layers. We release our code at https://github.com/tim-lawson/skip-middle.

Mixture-of-Experts (MoE) models are designed to enhance the efficiency of large language models (LLMs) without proportionally increasing the computational demands. However, their deployment on edge devices still faces significant challenges due to high on-demand loading overheads from managing sparsely activated experts. This paper introduces AdapMoE, an algorithm-system co-design framework for efficient MoE inference. AdapMoE features adaptive expert gating and management to reduce the on-demand loading overheads. We observe the heterogeneity of experts loading across layers and tokens, based on which we propose a sensitivity-based strategy to adjust the number of activated experts dynamically. Meanwhile, we also integrate advanced prefetching and cache management techniques to further reduce the loading latency. Through comprehensive evaluations on various platforms, we demonstrate AdapMoE consistently outperforms existing techniques, reducing the average number of activated experts by 25% and achieving a 1.35x speedup without accuracy degradation. Code is available at: https://github.com/PKU-SEC-Lab/AdapMoE.

The Attention mechanism is the main component of the Transformer architecture, and since its introduction, it has led to significant advancements in Deep Learning that span many domains and multiple tasks. The Attention Mechanism was utilized in Computer Vision as the Vision Transformer ViT, and its usage has expanded into many tasks in the vision domain, such as classification, segmentation, object detection, and image generation. While this mechanism is very expressive and capable, it comes with the drawback of being computationally expensive and requiring datasets of considerable size for effective optimization. To address these shortcomings, many designs have been proposed in the literature to reduce the computational burden and alleviate the data size requirements. Examples of such attempts in the vision domain are the MLP-Mixer, the Conv-Mixer, the Perciver-IO, and many more. This paper introduces a new computational block as an alternative to the standard ViT block that reduces the compute burdens by replacing the normal Attention layers with a Network in Network structure that enhances the static approach of the MLP Mixer with a dynamic system of learning an element-wise gating function by a token mixing process. Extensive experimentation shows that the proposed design provides better performance than the baseline architectures on multiple datasets applied in the image classification task of the vision domain.

Multi-LLM systems harness the complementary strengths of diverse Large Language Models, achieving performance and efficiency gains unattainable by a single model. In existing designs, LLMs communicate through text, forcing internal representations to be transformed into output token sequences. This process both loses rich semantic information and incurs token-by-token generation latency. Motivated by these limitations, we ask: Can LLMs communicate beyond text? Oracle experiments show that enriching the KV-Cache semantics can improve response quality without increasing cache size, supporting KV-Cache as an effective medium for inter-model communication. Thus, we propose Cache-to-Cache (C2C), a new paradigm for direct semantic communication between LLMs. C2C uses a neural network to project and fuse the source model's KV-cache with that of the target model to enable direct semantic transfer. A learnable gating mechanism selects the target layers that benefit from cache communication. Compared with text communication, C2C utilizes the deep, specialized semantics from both models, while avoiding explicit intermediate text generation. Experiments show that C2C achieves 8.5-10.5% higher average accuracy than individual models. It further outperforms the text communication paradigm by approximately 3.0-5.0%, while delivering an average 2.0x speedup in latency. Our code is available at https://github.com/thu-nics/C2C.

Recent architectural developments have enabled recurrent neural networks (RNNs) to reach and even surpass the performance of Transformers on certain sequence modeling tasks. These modern RNNs feature a prominent design pattern: linear recurrent layers interconnected by feedforward paths with multiplicative gating. Here, we show how RNNs equipped with these two design elements can exactly implement (linear) self-attention, the main building block of Transformers. By reverse-engineering a set of trained RNNs, we find that gradient descent in practice discovers our construction. In particular, we examine RNNs trained to solve simple in-context learning tasks on which Transformers are known to excel and find that gradient descent instills in our RNNs the same attention-based in-context learning algorithm used by Transformers. Our findings highlight the importance of multiplicative interactions in neural networks and suggest that certain RNNs might be unexpectedly implementing attention under the hood.

Click-through rate (CTR) prediction is one of the fundamental tasks for online advertising and recommendation. While multi-layer perceptron (MLP) serves as a core component in many deep CTR prediction models, it has been widely recognized that applying a vanilla MLP network alone is inefficient in learning multiplicative feature interactions. As such, many two-stream interaction models (e.g., DeepFM and DCN) have been proposed by integrating an MLP network with another dedicated network for enhanced CTR prediction. As the MLP stream learns feature interactions implicitly, existing research focuses mainly on enhancing explicit feature interactions in the complementary stream. In contrast, our empirical study shows that a well-tuned two-stream MLP model that simply combines two MLPs can even achieve surprisingly good performance, which has never been reported before by existing work. Based on this observation, we further propose feature gating and interaction aggregation layers that can be easily plugged to make an enhanced two-stream MLP model, FinalMLP. In this way, it not only enables differentiated feature inputs but also effectively fuses stream-level interactions across two streams. Our evaluation results on four open benchmark datasets as well as an online A/B test in our industrial system show that FinalMLP achieves better performance than many sophisticated two-stream CTR models. Our source code will be available at MindSpore/models.

While deeper convolutional networks are needed to achieve maximum accuracy in visual perception tasks, for many inputs shallower networks are sufficient. We exploit this observation by learning to skip convolutional layers on a per-input basis. We introduce SkipNet, a modified residual network, that uses a gating network to selectively skip convolutional blocks based on the activations of the previous layer. We formulate the dynamic skipping problem in the context of sequential decision making and propose a hybrid learning algorithm that combines supervised learning and reinforcement learning to address the challenges of non-differentiable skipping decisions. We show SkipNet reduces computation by 30-90% while preserving the accuracy of the original model on four benchmark datasets and outperforms the state-of-the-art dynamic networks and static compression methods. We also qualitatively evaluate the gating policy to reveal a relationship between image scale and saliency and the number of layers skipped.

Convolutional architectures have proven extremely successful for vision tasks. Their hard inductive biases enable sample-efficient learning, but come at the cost of a potentially lower performance ceiling. Vision Transformers (ViTs) rely on more flexible self-attention layers, and have recently outperformed CNNs for image classification. However, they require costly pre-training on large external datasets or distillation from pre-trained convolutional networks. In this paper, we ask the following question: is it possible to combine the strengths of these two architectures while avoiding their respective limitations? To this end, we introduce gated positional self-attention (GPSA), a form of positional self-attention which can be equipped with a ``soft" convolutional inductive bias. We initialise the GPSA layers to mimic the locality of convolutional layers, then give each attention head the freedom to escape locality by adjusting a gating parameter regulating the attention paid to position versus content information. The resulting convolutional-like ViT architecture, ConViT, outperforms the DeiT on ImageNet, while offering a much improved sample efficiency. We further investigate the role of locality in learning by first quantifying how it is encouraged in vanilla self-attention layers, then analysing how it is escaped in GPSA layers. We conclude by presenting various ablations to better understand the success of the ConViT. Our code and models are released publicly at https://github.com/facebookresearch/convit.

Protein representation learning is critical for numerous biological tasks. Recently, large transformer-based protein language models (pLMs) pretrained on large scale protein sequences have demonstrated significant success in sequence-based tasks. However, pLMs lack structural context. Conversely, graph neural networks (GNNs) designed to leverage 3D structural information have shown promising generalization in protein-related prediction tasks, but their effectiveness is often constrained by the scarcity of labeled structural data. Recognizing that sequence and structural representations are complementary perspectives of the same protein entity, we propose a multimodal bidirectional hierarchical fusion framework to effectively merge these modalities. Our framework employs attention and gating mechanisms to enable effective interaction between pLMs-generated sequential representations and GNN-extracted structural features, improving information exchange and enhancement across layers of the neural network. This bidirectional and hierarchical (Bi-Hierarchical) fusion approach leverages the strengths of both modalities to capture richer and more comprehensive protein representations. Based on the framework, we further introduce local Bi-Hierarchical Fusion with gating and global Bi-Hierarchical Fusion with multihead self-attention approaches. Our method demonstrates consistent improvements over strong baselines and existing fusion techniques in a variety of protein representation learning benchmarks, including enzyme EC classification, model quality assessment, protein-ligand binding affinity prediction, protein-protein binding site prediction, and B cell epitopes prediction. Our method establishes a new state-of-the-art for multimodal protein representation learning, emphasizing the efficacy of Bi-Hierarchical Fusion in bridging sequence and structural modalities.

Vision transformer based models bring significant improvements for image segmentation tasks. Although these architectures offer powerful capabilities irrespective of specific segmentation tasks, their use of computational resources can be taxing on deployed devices. One way to overcome this challenge is by adapting the computation level to the specific needs of the input image rather than the current one-size-fits-all approach. To this end, we introduce ECO-M2F or EffiCient TransfOrmer Encoders for Mask2Former-style models. Noting that the encoder module of M2F-style models incur high resource-intensive computations, ECO-M2F provides a strategy to self-select the number of hidden layers in the encoder, conditioned on the input image. To enable this self-selection ability for providing a balance between performance and computational efficiency, we present a three step recipe. The first step is to train the parent architecture to enable early exiting from the encoder. The second step is to create an derived dataset of the ideal number of encoder layers required for each training example. The third step is to use the aforementioned derived dataset to train a gating network that predicts the number of encoder layers to be used, conditioned on the input image. Additionally, to change the computational-accuracy tradeoff, only steps two and three need to be repeated which significantly reduces retraining time. Experiments on the public datasets show that the proposed approach reduces expected encoder computational cost while maintaining performance, adapts to various user compute resources, is flexible in architecture configurations, and can be extended beyond the segmentation task to object detection.

With the rapid advancement of multimodal retrieval and its application in LLMs and multimodal LLMs, increasingly complex retrieval tasks have emerged. Existing methods predominantly rely on task-specific fine-tuning of vision-language models and are limited to single-modality queries or documents. In this paper, we propose ReT-2, a unified retrieval model that supports multimodal queries, composed of both images and text, and searches across multimodal document collections where text and images coexist. ReT-2 leverages multi-layer representations and a recurrent Transformer architecture with LSTM-inspired gating mechanisms to dynamically integrate information across layers and modalities, capturing fine-grained visual and textual details. We evaluate ReT-2 on the challenging M2KR and M-BEIR benchmarks across different retrieval configurations. Results demonstrate that ReT-2 consistently achieves state-of-the-art performance across diverse settings, while offering faster inference and reduced memory usage compared to prior approaches. When integrated into retrieval-augmented generation pipelines, ReT-2 also improves downstream performance on Encyclopedic-VQA and InfoSeek datasets. Our source code and trained models are publicly available at: https://github.com/aimagelab/ReT-2

Linear Transformers have gained attention as efficient alternatives to standard Transformers, but their performance in retrieval and long-context tasks has been limited. To address these limitations, recent work has explored two distinct mechanisms: gating for adaptive memory control and the delta update rule for precise memory modifications. We observe that these mechanisms are complementary: gating enables rapid memory erasure while the delta rule facilitates targeted updates. Building on this insight, we introduce the gated delta rule and develop a parallel training algorithm optimized for modern hardware. Our proposed architecture, Gated DeltaNet, consistently surpasses existing models like Mamba2 and DeltaNet across multiple benchmarks, including language modeling, common-sense reasoning, in-context retrieval, length extrapolation, and long-context understanding. We further enhance performance by developing hybrid architectures that combine Gated DeltaNet layers with sliding window attention or Mamba2 layers, achieving both improved training efficiency and superior task performance.

Transformers have been essential to pretraining success in NLP. While other architectures have been used, downstream accuracy is either significantly worse, or requires attention layers to match standard benchmarks such as GLUE. This work explores pretraining without attention by using recent advances in sequence routing based on state-space models (SSMs). Our proposed model, Bidirectional Gated SSM (BiGS), combines SSM layers with a multiplicative gating architecture that has been effective in simplified sequence modeling architectures. The model learns static layers that do not consider pair-wise interactions. Even so, BiGS is able to match BERT pretraining accuracy on GLUE and can be extended to long-form pretraining of 4096 tokens without approximation. Analysis shows that while the models have similar average accuracy, the approach has different inductive biases than BERT in terms of interactions and syntactic representations. All models from this work are available at https://github.com/jxiw/BiGS.

We present ImageBind-LLM, a multi-modality instruction tuning method of large language models (LLMs) via ImageBind. Existing works mainly focus on language and image instruction tuning, different from which, our ImageBind-LLM can respond to multi-modality conditions, including audio, 3D point clouds, video, and their embedding-space arithmetic by only image-text alignment training. During training, we adopt a learnable bind network to align the embedding space between LLaMA and ImageBind's image encoder. Then, the image features transformed by the bind network are added to word tokens of all layers in LLaMA, which progressively injects visual instructions via an attention-free and zero-initialized gating mechanism. Aided by the joint embedding of ImageBind, the simple image-text training enables our model to exhibit superior multi-modality instruction-following capabilities. During inference, the multi-modality inputs are fed into the corresponding ImageBind encoders, and processed by a proposed visual cache model for further cross-modal embedding enhancement. The training-free cache model retrieves from three million image features extracted by ImageBind, which effectively mitigates the training-inference modality discrepancy. Notably, with our approach, ImageBind-LLM can respond to instructions of diverse modalities and demonstrate significant language generation quality. Code is released at https://github.com/OpenGVLab/LLaMA-Adapter.

We report a mixture of expert strategy to create fine-tuned large language models using a deep layer-wise token-level approach based on low-rank adaptation (LoRA). Starting with a set of pre-trained LoRA adapters, we propose a gating strategy that uses the hidden states to dynamically mix adapted layers, allowing the resulting X-LoRA model to draw upon different capabilities and create never-before-used deep layer-wise combinations of adaptations are established to solve specific tasks. The design is inspired by the biological principles of universality and diversity, where neural network building blocks are reused in different hierarchical manifestations. Hence, the X-LoRA model can be easily implemented for any existing large language model (LLM) without a need for modifications of the underlying structure. We develop a tailored X-LoRA model that offers scientific capabilities including forward/inverse analysis tasks and enhanced reasoning capability, focused on biomaterial analysis, protein mechanics and design. The impact of this work include access to readily expandable, adaptable and changeable models with strong domain knowledge and the capability to integrate across areas of knowledge. With the X-LoRA model featuring experts in biology, mathematics, reasoning, bio-inspired materials, mechanics and materials, chemistry, and protein mechanics we conduct a series of physics-focused case studies. We examine knowledge recall, protein mechanics forward/inverse tasks, protein design, and adversarial agentic modeling including ontological knowledge graphs. The model is capable not only of making quantitative predictions of nanomechanical properties of proteins, but also reasons over the results and correctly predicts likely mechanisms that explain distinct molecular behaviors.

Federated Learning (FL) aims to train machine learning models for multiple clients without sharing their own private data. Due to the heterogeneity of clients' local data distribution, recent studies explore the personalized FL that learns and deploys distinct local models with the help of auxiliary global models. However, the clients can be heterogeneous in terms of not only local data distribution, but also their computation and communication resources. The capacity and efficiency of personalized models are restricted by the lowest-resource clients, leading to sub-optimal performance and limited practicality of personalized FL. To overcome these challenges, we propose a novel approach named pFedGate for efficient personalized FL by adaptively and efficiently learning sparse local models. With a lightweight trainable gating layer, pFedGate enables clients to reach their full potential in model capacity by generating different sparse models accounting for both the heterogeneous data distributions and resource constraints. Meanwhile, the computation and communication efficiency are both improved thanks to the adaptability between the model sparsity and clients' resources. Further, we theoretically show that the proposed pFedGate has superior complexity with guaranteed convergence and generalization error. Extensive experiments show that pFedGate achieves superior global accuracy, individual accuracy and efficiency simultaneously over state-of-the-art methods. We also demonstrate that pFedGate performs better than competitors in the novel clients participation and partial clients participation scenarios, and can learn meaningful sparse local models adapted to different data distributions.

In recent years, the long-range attention mechanism of vision transformers has driven significant performance breakthroughs across various computer vision tasks. However, the traditional self-attention mechanism, which processes both informative and non-informative tokens, suffers from inefficiency and inaccuracies. While sparse attention mechanisms have been introduced to mitigate these issues by pruning tokens involved in attention, they often lack context-awareness and intelligence. These mechanisms frequently apply a uniform token selection strategy across different inputs for batch training or optimize efficiency only for the inference stage. To overcome these challenges, we propose a novel algorithm: Select and Pack Attention (SPA). SPA dynamically selects informative tokens using a low-cost gating layer supervised by selection labels and packs these tokens into new batches, enabling a variable number of tokens to be used in parallelized GPU batch training and inference. Extensive experiments across diverse datasets and computer vision tasks demonstrate that SPA delivers superior performance and efficiency, including a 0.6 mAP improvement in object detection and a 16.4% reduction in computational costs.

Recent advances in video captioning are driven by large-scale pretrained models, which follow the standard "pre-training followed by fine-tuning" paradigm, where the full model is fine-tuned for downstream tasks. Although effective, this approach becomes computationally prohibitive as the model size increases. The Parameter-Efficient Fine-Tuning (PEFT) approach offers a promising alternative, but primarily focuses on the language components of Multimodal Large Language Models (MLLMs). Despite recent progress, PEFT remains underexplored in multimodal tasks and lacks sufficient understanding of visual information during fine-tuning the model. To bridge this gap, we propose Query-Adapter (Q-Adapter), a lightweight visual adapter module designed to enhance MLLMs by enabling efficient fine-tuning for the video captioning task. Q-Adapter introduces learnable query tokens and a gating layer into Vision Encoder, enabling effective extraction of sparse, caption-relevant features without relying on external textual supervision. We evaluate Q-Adapter on two well-known video captioning datasets, MSR-VTT and MSVD, where it achieves state-of-the-art performance among the methods that take the PEFT approach across BLEU@4, METEOR, ROUGE-L, and CIDEr metrics. Q-Adapter also achieves competitive performance compared to methods that take the full fine-tuning approach while requiring only 1.4% of the parameters. We further analyze the impact of key hyperparameters and design choices on fine-tuning effectiveness, providing insights into optimization strategies for adapter-based learning. These results highlight the strong potential of Q-Adapter in balancing caption quality and parameter efficiency, demonstrating its scalability for video-language modeling.

The Mamba model has gained significant attention for its computational advantages over Transformer-based models, while achieving comparable performance across a wide range of language tasks. Like Transformers, Mamba exhibits in-context learning (ICL) capabilities, i.e., making predictions for new tasks based on a prompt containing input-label pairs and a query, without requiring fine-tuning. Despite its empirical success, the theoretical understanding of Mamba remains limited, largely due to the nonlinearity introduced by its gating mechanism. To the best of our knowledge, this paper presents the first theoretical analysis of the training dynamics of a one-layer Mamba model, which consists of a linear attention component followed by a nonlinear gating layer, and its ICL generalization on unseen binary classification tasks, even when the prompt includes additive outliers. Our analysis shows that Mamba leverages the linear attention layer to select informative context examples and uses the nonlinear gating layer to suppress the influence of outliers. By establishing and comparing to the analysis of linear Transformers under the same setting, we show that although Mamba may require more training iterations to converge, it maintains accurate predictions even when the proportion of outliers exceeds the threshold that a linear Transformer can tolerate. These theoretical findings are supported by empirical experiments.