Daily Papers

Esophageal cancer is among the most common types of cancer worldwide. It is traditionally treated using open esophagectomy, but in recent years, robot-assisted minimally invasive esophagectomy (RAMIE) has emerged as a promising alternative. However, robot-assisted surgery can be challenging for novice surgeons, as they often suffer from a loss of spatial orientation. Computer-aided anatomy recognition holds promise for improving surgical navigation, but research in this area remains limited. In this study, we developed a comprehensive dataset for semantic segmentation in RAMIE, featuring the largest collection of vital anatomical structures and surgical instruments to date. Handling this diverse set of classes presents challenges, including class imbalance and the recognition of complex structures such as nerves. This study aims to understand the challenges and limitations of current state-of-the-art algorithms on this novel dataset and problem. Therefore, we benchmarked eight real-time deep learning models using two pretraining datasets. We assessed both traditional and attention-based networks, hypothesizing that attention-based networks better capture global patterns and address challenges such as occlusion caused by blood or other tissues. The benchmark includes our RAMIE dataset and the publicly available CholecSeg8k dataset, enabling a thorough assessment of surgical segmentation tasks. Our findings indicate that pretraining on ADE20k, a dataset for semantic segmentation, is more effective than pretraining on ImageNet. Furthermore, attention-based models outperform traditional convolutional neural networks, with SegNeXt and Mask2Former achieving higher Dice scores, and Mask2Former additionally excelling in average symmetric surface distance.

Transformer models exhibit in-context learning: the ability to accurately predict the response to a novel query based on illustrative examples in the input sequence. In-context learning contrasts with traditional in-weights learning of query-output relationships. What aspects of the training data distribution and architecture favor in-context vs in-weights learning? Recent work has shown that specific distributional properties inherent in language, such as burstiness, large dictionaries and skewed rank-frequency distributions, control the trade-off or simultaneous appearance of these two forms of learning. We first show that these results are recapitulated in a minimal attention-only network trained on a simplified dataset. In-context learning (ICL) is driven by the abrupt emergence of an induction head, which subsequently competes with in-weights learning. By identifying progress measures that precede in-context learning and targeted experiments, we construct a two-parameter model of an induction head which emulates the full data distributional dependencies displayed by the attention-based network. A phenomenological model of induction head formation traces its abrupt emergence to the sequential learning of three nested logits enabled by an intrinsic curriculum. We propose that the sharp transitions in attention-based networks arise due to a specific chain of multi-layer operations necessary to achieve ICL, which is implemented by nested nonlinearities sequentially learned during training.

Several recent studies have demonstrated that attention-based networks, such as Vision Transformer (ViT), can outperform Convolutional Neural Networks (CNNs) on several computer vision tasks without using convolutional layers. This naturally leads to the following questions: Can a self-attention layer of ViT express any convolution operation? In this work, we prove that a single ViT layer with image patches as the input can perform any convolution operation constructively, where the multi-head attention mechanism and the relative positional encoding play essential roles. We further provide a lower bound on the number of heads for Vision Transformers to express CNNs. Corresponding with our analysis, experimental results show that the construction in our proof can help inject convolutional bias into Transformers and significantly improve the performance of ViT in low data regimes.

Steady-state electrothermal systems involve strongly coupled heat transfer, fluid flow, and electric-potential transport, creating severe numerical challenges for standard physics-informed neural networks (PINNs) due to stark disparities in gradient scales and residual stiffnesses across the physical fields. To resolve these multiphysics bottlenecks, we introduce a Long Short-Term Memory PINN (LSTM-PINN) framework that utilizes a depth-recursive memory mechanism to preserve long-range spatial feature dependencies and maintain strict cross-field consistency. The proposed architecture is rigorously evaluated against conventional and attention-based networks across a unified five-field formulation encompassing four complex convective and drag regimes: Boussinesq electrothermal flow, drift-potential gauge-constrained transport, strong buoyancy-coupled convection, and Brinkman--Forchheimer drift. Quantitative and visual analyses demonstrate that LSTM-PINN successfully suppresses non-physical artifacts and structural distortions, yielding the highest thermodynamic fidelity and consistently outperforming state-of-the-art baselines in global error metrics. Ultimately, this memory-enhanced approach provides a highly robust and accurate computational baseline for capturing localized boundary layers and complex energy-momentum feedback in advanced electrothermal energy systems.

Convolutional Neural Networks (CNNs) are the go-to model for computer vision. Recently, attention-based networks, such as the Vision Transformer, have also become popular. In this paper we show that while convolutions and attention are both sufficient for good performance, neither of them are necessary. We present MLP-Mixer, an architecture based exclusively on multi-layer perceptrons (MLPs). MLP-Mixer contains two types of layers: one with MLPs applied independently to image patches (i.e. "mixing" the per-location features), and one with MLPs applied across patches (i.e. "mixing" spatial information). When trained on large datasets, or with modern regularization schemes, MLP-Mixer attains competitive scores on image classification benchmarks, with pre-training and inference cost comparable to state-of-the-art models. We hope that these results spark further research beyond the realms of well established CNNs and Transformers.

While the successes of transformers across many domains are indisputable, accurate understanding of the learning mechanics is still largely lacking. Their capabilities have been probed on benchmarks which include a variety of structured and reasoning tasks -- but mathematical understanding is lagging substantially behind. Recent lines of work have begun studying representational aspects of this question: that is, the size/depth/complexity of attention-based networks to perform certain tasks. However, there is no guarantee the learning dynamics will converge to the constructions proposed. In our paper, we provide fine-grained mechanistic understanding of how transformers learn "semantic structure", understood as capturing co-occurrence structure of words. Precisely, we show, through a combination of experiments on synthetic data modeled by Latent Dirichlet Allocation (LDA), Wikipedia data, and mathematical analysis that the embedding layer and the self-attention layer encode the topical structure. In the former case, this manifests as higher average inner product of embeddings between same-topic words. In the latter, it manifests as higher average pairwise attention between same-topic words. The mathematical results involve several assumptions to make the analysis tractable, which we verify on data, and might be of independent interest as well.

Choosing optimal maskers for existing soundscapes to effect a desired perceptual change via soundscape augmentation is non-trivial due to extensive varieties of maskers and a dearth of benchmark datasets with which to compare and develop soundscape augmentation models. To address this problem, we make publicly available the ARAUS (Affective Responses to Augmented Urban Soundscapes) dataset, which comprises a five-fold cross-validation set and independent test set totaling 25,440 unique subjective perceptual responses to augmented soundscapes presented as audio-visual stimuli. Each augmented soundscape is made by digitally adding "maskers" (bird, water, wind, traffic, construction, or silence) to urban soundscape recordings at fixed soundscape-to-masker ratios. Responses were then collected by asking participants to rate how pleasant, annoying, eventful, uneventful, vibrant, monotonous, chaotic, calm, and appropriate each augmented soundscape was, in accordance with ISO 12913-2:2018. Participants also provided relevant demographic information and completed standard psychological questionnaires. We perform exploratory and statistical analysis of the responses obtained to verify internal consistency and agreement with known results in the literature. Finally, we demonstrate the benchmarking capability of the dataset by training and comparing four baseline models for urban soundscape pleasantness: a low-parameter regression model, a high-parameter convolutional neural network, and two attention-based networks in the literature.

State Space Models (SSMs) have emerged as an appealing alternative to Transformers for large language models, achieving state-of-the-art accuracy with constant memory complexity which allows for holding longer context lengths than attention-based networks. The superior computational efficiency of SSMs in long sequence modeling positions them favorably over Transformers in many scenarios. However, improving the efficiency of SSMs on request-intensive cloud-serving and resource-limited edge applications is still a formidable task. SSM quantization is a possible solution to this problem, making SSMs more suitable for wide deployment, while still maintaining their accuracy. Quantization is a common technique to reduce the model size and to utilize the low bit-width acceleration features on modern computing units, yet existing quantization techniques are poorly suited for SSMs. Most notably, SSMs have highly sensitive feature maps within the selective scan mechanism (i.e., linear recurrence) and massive outliers in the output activations which are not present in the output of token-mixing in the self-attention modules. To address this issue, we propose a static 8-bit per-tensor SSM quantization method which suppresses the maximum values of the input activations to the selective SSM for finer quantization precision and quantizes the output activations in an outlier-free space with Hadamard transform. Our 8-bit weight-activation quantized Mamba 2.8B SSM benefits from hardware acceleration and achieves a 1.72x lower generation latency on an Nvidia Orin Nano 8G, with only a 0.9% drop in average accuracy on zero-shot tasks. The experiments demonstrate the effectiveness and practical applicability of our approach for deploying SSM-based models of all sizes on both cloud and edge platforms.

In the sentiment attitude extraction task, the aim is to identify <<attitudes>> -- sentiment relations between entities mentioned in text. In this paper, we provide a study on attention-based context encoders in the sentiment attitude extraction task. For this task, we adapt attentive context encoders of two types: (1) feature-based; (2) self-based. In our study, we utilize the corpus of Russian analytical texts RuSentRel and automatically constructed news collection RuAttitudes for enriching the training set. We consider the problem of attitude extraction as two-class (positive, negative) and three-class (positive, negative, neutral) classification tasks for whole documents. Our experiments with the RuSentRel corpus show that the three-class classification models, which employ the RuAttitudes corpus for training, result in 10% increase and extra 3% by F1, when model architectures include the attention mechanism. We also provide the analysis of attention weight distributions in dependence on the term type.

We present a novel approach for the prediction of anticancer compound sensitivity by means of multi-modal attention-based neural networks (PaccMann). In our approach, we integrate three key pillars of drug sensitivity, namely, the molecular structure of compounds, transcriptomic profiles of cancer cells as well as prior knowledge about interactions among proteins within cells. Our models ingest a drug-cell pair consisting of SMILES encoding of a compound and the gene expression profile of a cancer cell and predicts an IC50 sensitivity value. Gene expression profiles are encoded using an attention-based encoding mechanism that assigns high weights to the most informative genes. We present and study three encoders for SMILES string of compounds: 1) bidirectional recurrent 2) convolutional 3) attention-based encoders. We compare our devised models against a baseline model that ingests engineered fingerprints to represent the molecular structure. We demonstrate that using our attention-based encoders, we can surpass the baseline model. The use of attention-based encoders enhance interpretability and enable us to identify genes, bonds and atoms that were used by the network to make a prediction.

We propose sparsemax, a new activation function similar to the traditional softmax, but able to output sparse probabilities. After deriving its properties, we show how its Jacobian can be efficiently computed, enabling its use in a network trained with backpropagation. Then, we propose a new smooth and convex loss function which is the sparsemax analogue of the logistic loss. We reveal an unexpected connection between this new loss and the Huber classification loss. We obtain promising empirical results in multi-label classification problems and in attention-based neural networks for natural language inference. For the latter, we achieve a similar performance as the traditional softmax, but with a selective, more compact, attention focus.

Attention-based neural networks such as transformers have demonstrated a remarkable ability to exhibit in-context learning (ICL): Given a short prompt sequence of tokens from an unseen task, they can formulate relevant per-token and next-token predictions without any parameter updates. By embedding a sequence of labeled training data and unlabeled test data as a prompt, this allows for transformers to behave like supervised learning algorithms. Indeed, recent work has shown that when training transformer architectures over random instances of linear regression problems, these models' predictions mimic those of ordinary least squares. Towards understanding the mechanisms underlying this phenomenon, we investigate the dynamics of ICL in transformers with a single linear self-attention layer trained by gradient flow on linear regression tasks. We show that despite non-convexity, gradient flow with a suitable random initialization finds a global minimum of the objective function. At this global minimum, when given a test prompt of labeled examples from a new prediction task, the transformer achieves prediction error competitive with the best linear predictor over the test prompt distribution. We additionally characterize the robustness of the trained transformer to a variety of distribution shifts and show that although a number of shifts are tolerated, shifts in the covariate distribution of the prompts are not. Motivated by this, we consider a generalized ICL setting where the covariate distributions can vary across prompts. We show that although gradient flow succeeds at finding a global minimum in this setting, the trained transformer is still brittle under mild covariate shifts. We complement this finding with experiments on large, nonlinear transformer architectures which we show are more robust under covariate shifts.

Attention-based neural networks such as the Vision Transformer (ViT) have recently attained state-of-the-art results on many computer vision benchmarks. Scale is a primary ingredient in attaining excellent results, therefore, understanding a model's scaling properties is a key to designing future generations effectively. While the laws for scaling Transformer language models have been studied, it is unknown how Vision Transformers scale. To address this, we scale ViT models and data, both up and down, and characterize the relationships between error rate, data, and compute. Along the way, we refine the architecture and training of ViT, reducing memory consumption and increasing accuracy of the resulting models. As a result, we successfully train a ViT model with two billion parameters, which attains a new state-of-the-art on ImageNet of 90.45% top-1 accuracy. The model also performs well for few-shot transfer, for example, reaching 84.86% top-1 accuracy on ImageNet with only 10 examples per class.

Information sharing is critical in time-sensitive and realistic multi-robot exploration, especially for smaller robotic teams in large-scale environments where connectivity may be sparse and intermittent. Existing methods often overlook such communication constraints by assuming unrealistic global connectivity. Other works account for communication constraints (by maintaining close proximity or line of sight during information exchange), but are often inefficient. For instance, preplanned rendezvous approaches typically involve unnecessary detours resulting from poorly timed rendezvous, while pursuit-based approaches often result in short-sighted decisions due to their greedy nature. We present IR2, a deep reinforcement learning approach to information sharing for multi-robot exploration. Leveraging attention-based neural networks trained via reinforcement and curriculum learning, IR2 allows robots to effectively reason about the longer-term trade-offs between disconnecting for solo exploration and reconnecting for information sharing. In addition, we propose a hierarchical graph formulation to maintain a sparse yet informative graph, enabling our approach to scale to large-scale environments. We present simulation results in three large-scale Gazebo environments, which show that our approach yields 6.6-34.1% shorter exploration paths when compared to state-of-the-art baselines, and lastly deploy our learned policy on hardware. Our simulation training and testing code is available at https://ir2-explore.github.io.

Effectively representing medical images, especially retinal images, presents a considerable challenge due to variations in appearance, size, and contextual information of pathological signs called lesions. Precise discrimination of these lesions is crucial for diagnosing vision-threatening issues such as diabetic retinopathy. While visual attention-based neural networks have been introduced to learn spatial context and channel correlations from retinal images, they often fall short in capturing localized lesion context. Addressing this limitation, we propose a novel attention mechanism called Guided Context Gating, an unique approach that integrates Context Formulation, Channel Correlation, and Guided Gating to learn global context, spatial correlations, and localized lesion context. Our qualitative evaluation against existing attention mechanisms emphasize the superiority of Guided Context Gating in terms of explainability. Notably, experiments on the Zenodo-DR-7 dataset reveal a substantial 2.63% accuracy boost over advanced attention mechanisms & an impressive 6.53% improvement over the state-of-the-art Vision Transformer for assessing the severity grade of retinopathy, even with imbalanced and limited training samples for each class.

Symbolic Music Alignment is the process of matching performed MIDI notes to corresponding score notes. In this paper, we introduce a reinforcement learning (RL)-based online symbolic music alignment technique. The RL agent - an attention-based neural network - iteratively estimates the current score position from local score and performance contexts. For this symbolic alignment task, environment states can be sampled exhaustively and the reward is dense, rendering a formulation as a simplified offline RL problem straightforward. We evaluate the trained agent in three ways. First, in its capacity to identify correct score positions for sampled test contexts; second, as the core technique of a complete algorithm for symbolic online note-wise alignment; and finally, as a real-time symbolic score follower. We further investigate the pitch-based score and performance representations used as the agent's inputs. To this end, we develop a second model, a two-step Dynamic Time Warping (DTW)-based offline alignment algorithm leveraging the same input representation. The proposed model outperforms a state-of-the-art reference model of offline symbolic music alignment.

Automatic keyframe detection from videos is an exercise in selecting scenes that can best summarize the content for long videos. Providing a summary of the video is an important task to facilitate quick browsing and content summarization. The resulting photos are used for automated works (e.g. summarizing security footage, detecting different scenes used in music clips) in different industries. In addition, processing high-volume videos in advanced machine learning methods also creates resource costs. Keyframes obtained; It can be used as an input feature to the methods and models to be used. In this study; We propose a deep learning-based approach for keyframe detection using a deep auto-encoder model with an attention layer. The proposed method first extracts the features from the video frames using the encoder part of the autoencoder and applies segmentation using the k-means clustering algorithm to group these features and similar frames together. Then, keyframes are selected from each cluster by selecting the frames closest to the center of the clusters. The method was evaluated on the TVSUM video dataset and achieved a classification accuracy of 0.77, indicating a higher success rate than many existing methods. The proposed method offers a promising solution for key frame extraction in video analysis and can be applied to various applications such as video summarization and video retrieval.

We present a state-of-the-art end-to-end Automatic Speech Recognition (ASR) model. We learn to listen and write characters with a joint Connectionist Temporal Classification (CTC) and attention-based encoder-decoder network. The encoder is a deep Convolutional Neural Network (CNN) based on the VGG network. The CTC network sits on top of the encoder and is jointly trained with the attention-based decoder. During the beam search process, we combine the CTC predictions, the attention-based decoder predictions and a separately trained LSTM language model. We achieve a 5-10\% error reduction compared to prior systems on spontaneous Japanese and Chinese speech, and our end-to-end model beats out traditional hybrid ASR systems.

Effective rehabilitation assessment is essential for monitoring patient progress, particularly in home-based settings. Existing systems often face challenges such as data imbalance and difficulty detecting subtle movement errors. This paper introduces Error-Guided Pose Augmentation (EGPA), a method that generates synthetic skeleton data by simulating clinically relevant movement mistakes. Unlike standard augmentation techniques, EGPA targets biomechanical errors observed in rehabilitation. Combined with an attention-based graph convolutional network, EGPA improves performance across multiple evaluation metrics. Experiments demonstrate reductions in mean absolute error of up to 27.6 percent and gains in error classification accuracy of 45.8 percent. Attention visualizations show that the model learns to focus on clinically significant joints and movement phases, enhancing both accuracy and interpretability. EGPA offers a promising approach for improving automated movement quality assessment in both clinical and home-based rehabilitation contexts.

Attention-based graph neural networks (GNNs), such as graph attention networks (GATs), have become popular neural architectures for processing graph-structured data and learning node embeddings. Despite their empirical success, these models rely on labeled data and the theoretical properties of these models have yet to be fully understood. In this work, we propose a novel attention-based node embedding framework for graphs. Our framework builds upon a hierarchical kernel for multisets of subgraphs around nodes (e.g. neighborhoods) and each kernel leverages the geometry of a smooth statistical manifold to compare pairs of multisets, by "projecting" the multisets onto the manifold. By explicitly computing node embeddings with a manifold of Gaussian mixtures, our method leads to a new attention mechanism for neighborhood aggregation. We provide theoretical insights into generalizability and expressivity of our embeddings, contributing to a deeper understanding of attention-based GNNs. We propose both efficient unsupervised and supervised methods for learning the embeddings. Through experiments on several node classification benchmarks, we demonstrate that our proposed method outperforms existing attention-based graph models like GATs. Our code is available at https://github.com/BorgwardtLab/fisher_information_embedding.

In recent years, the abuse of a face swap technique called deepfake has raised enormous public concerns. So far, a large number of deepfake videos (known as "deepfakes") have been crafted and uploaded to the internet, calling for effective countermeasures. One promising countermeasure against deepfakes is deepfake detection. Several deepfake datasets have been released to support the training and testing of deepfake detectors, such as DeepfakeDetection and FaceForensics++. While this has greatly advanced deepfake detection, most of the real videos in these datasets are filmed with a few volunteer actors in limited scenes, and the fake videos are crafted by researchers using a few popular deepfake softwares. Detectors developed on these datasets may become less effective against real-world deepfakes on the internet. To better support detection against real-world deepfakes, in this paper, we introduce a new dataset WildDeepfake which consists of 7,314 face sequences extracted from 707 deepfake videos collected completely from the internet. WildDeepfake is a small dataset that can be used, in addition to existing datasets, to develop and test the effectiveness of deepfake detectors against real-world deepfakes. We conduct a systematic evaluation of a set of baseline detection networks on both existing and our WildDeepfake datasets, and show that WildDeepfake is indeed a more challenging dataset, where the detection performance can decrease drastically. We also propose two (eg. 2D and 3D) Attention-based Deepfake Detection Networks (ADDNets) to leverage the attention masks on real/fake faces for improved detection. We empirically verify the effectiveness of ADDNets on both existing datasets and WildDeepfake. The dataset is available at: https://github.com/OpenTAI/wild-deepfake.

Teaching machines to read natural language documents remains an elusive challenge. Machine reading systems can be tested on their ability to answer questions posed on the contents of documents that they have seen, but until now large scale training and test datasets have been missing for this type of evaluation. In this work we define a new methodology that resolves this bottleneck and provides large scale supervised reading comprehension data. This allows us to develop a class of attention based deep neural networks that learn to read real documents and answer complex questions with minimal prior knowledge of language structure.

We show how to augment any convolutional network with an attention-based global map to achieve non-local reasoning. We replace the final average pooling by an attention-based aggregation layer akin to a single transformer block, that weights how the patches are involved in the classification decision. We plug this learned aggregation layer with a simplistic patch-based convolutional network parametrized by 2 parameters (width and depth). In contrast with a pyramidal design, this architecture family maintains the input patch resolution across all the layers. It yields surprisingly competitive trade-offs between accuracy and complexity, in particular in terms of memory consumption, as shown by our experiments on various computer vision tasks: object classification, image segmentation and detection.

This work proposes an attention-based sequence-to-sequence model for handwritten word recognition and explores transfer learning for data-efficient training of HTR systems. To overcome training data scarcity, this work leverages models pre-trained on scene text images as a starting point towards tailoring the handwriting recognition models. ResNet feature extraction and bidirectional LSTM-based sequence modeling stages together form an encoder. The prediction stage consists of a decoder and a content-based attention mechanism. The effectiveness of the proposed end-to-end HTR system has been empirically evaluated on a novel multi-writer dataset Imgur5K and the IAM dataset. The experimental results evaluate the performance of the HTR framework, further supported by an in-depth analysis of the error cases. Source code and pre-trained models are available at https://github.com/dmitrijsk/AttentionHTR.

Accurate recognition of sign language in healthcare communication poses a significant challenge, requiring frameworks that can accurately interpret complex multimodal gestures. To deal with this, we propose FusionEnsemble-Net, a novel attention-based ensemble of spatiotemporal networks that dynamically fuses visual and motion data to enhance recognition accuracy. The proposed approach processes RGB video and range Doppler map radar modalities synchronously through four different spatiotemporal networks. For each network, features from both modalities are continuously fused using an attention-based fusion module before being fed into an ensemble of classifiers. Finally, the outputs of these four different fused channels are combined in an ensemble classification head, thereby enhancing the model's robustness. Experiments demonstrate that FusionEnsemble-Net outperforms state-of-the-art approaches with a test accuracy of 99.44% on the large-scale MultiMeDaLIS dataset for Italian Sign Language. Our findings indicate that an ensemble of diverse spatiotemporal networks, unified by attention-based fusion, yields a robust and accurate framework for complex, multimodal isolated gesture recognition tasks. The source code is available at: https://github.com/rezwanh001/Multimodal-Isolated-Italian-Sign-Language-Recognition.

Many machine learning tasks such as multiple instance learning, 3D shape recognition, and few-shot image classification are defined on sets of instances. Since solutions to such problems do not depend on the order of elements of the set, models used to address them should be permutation invariant. We present an attention-based neural network module, the Set Transformer, specifically designed to model interactions among elements in the input set. The model consists of an encoder and a decoder, both of which rely on attention mechanisms. In an effort to reduce computational complexity, we introduce an attention scheme inspired by inducing point methods from sparse Gaussian process literature. It reduces the computation time of self-attention from quadratic to linear in the number of elements in the set. We show that our model is theoretically attractive and we evaluate it on a range of tasks, demonstrating the state-of-the-art performance compared to recent methods for set-structured data.

Managing connectivity in integrated satellite-terrestrial vehicular networks is critical for 6G, yet is challenged by dynamic conditions and partial observability. This letter introduces the Multi-Agent Actor-Critic with Satellite-Aided Multi-head self-attention (MAAC-SAM), a novel multi-agent reinforcement learning framework that enables vehicles to autonomously manage connectivity across Vehicle-to-Satellite (V2S), Vehicle-to-Infrastructure (V2I), and Vehicle-to-Vehicle (V2V) links. Our key innovation is the integration of a multi-head attention mechanism, which allows for robust state estimation even with fluctuating and limited information sharing among vehicles. The framework further leverages self-imitation learning (SIL) and fingerprinting to improve learning efficiency and real-time decisions. Simulation results, based on realistic SUMO traffic models and 3GPP-compliant configurations, demonstrate that MAAC-SAM outperforms state-of-the-art terrestrial and satellite-assisted baselines by up to 14% in transmission utility and maintains high estimation accuracy across varying vehicle densities and sharing levels.

Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the weight of its propagation. Despite their popularity, the discussion on deep graph attention and its unique challenges has been limited. In this work, we investigate some problematic phenomena related to deep graph attention, including vulnerability to over-smoothed features and smooth cumulative attention. Through theoretical and empirical analyses, we show that various attention-based GNNs suffer from these problems. Motivated by our findings, we propose AEROGNN, a novel GNN architecture designed for deep graph attention. AERO-GNN provably mitigates the proposed problems of deep graph attention, which is further empirically demonstrated with (a) its adaptive and less smooth attention functions and (b) higher performance at deep layers (up to 64). On 9 out of 12 node classification benchmarks, AERO-GNN outperforms the baseline GNNs, highlighting the advantages of deep graph attention. Our code is available at https://github.com/syleeheal/AERO-GNN.

Self-attention-based models have achieved remarkable progress in short-text mining. However, the quadratic computational complexities restrict their application in long text processing. Prior works have adopted the chunking strategy to divide long documents into chunks and stack a self-attention backbone with the recurrent structure to extract semantic representation. Such an approach disables parallelization of the attention mechanism, significantly increasing the training cost and raising hardware requirements. Revisiting the self-attention mechanism and the recurrent structure, this paper proposes a novel long-document encoding model, Recurrent Attention Network (RAN), to enable the recurrent operation of self-attention. Combining the advantages from both sides, the well-designed RAN is capable of extracting global semantics in both token-level and document-level representations, making it inherently compatible with both sequential and classification tasks, respectively. Furthermore, RAN is computationally scalable as it supports parallelization on long document processing. Extensive experiments demonstrate the long-text encoding ability of the proposed RAN model on both classification and sequential tasks, showing its potential for a wide range of applications.

Point cloud sampling is a less explored research topic for this data representation. The most commonly used sampling methods are still classical random sampling and farthest point sampling. With the development of neural networks, various methods have been proposed to sample point clouds in a task-based learning manner. However, these methods are mostly generative-based, rather than selecting points directly using mathematical statistics. Inspired by the Canny edge detection algorithm for images and with the help of the attention mechanism, this paper proposes a non-generative Attention-based Point cloud Edge Sampling method (APES), which captures salient points in the point cloud outline. Both qualitative and quantitative experimental results show the superior performance of our sampling method on common benchmark tasks.

In this paper, we present a novel approach for incorporating external knowledge in Recurrent Neural Networks (RNNs). We propose the integration of lexicon features into the self-attention mechanism of RNN-based architectures. This form of conditioning on the attention distribution, enforces the contribution of the most salient words for the task at hand. We introduce three methods, namely attentional concatenation, feature-based gating and affine transformation. Experiments on six benchmark datasets show the effectiveness of our methods. Attentional feature-based gating yields consistent performance improvement across tasks. Our approach is implemented as a simple add-on module for RNN-based models with minimal computational overhead and can be adapted to any deep neural architecture.

The segmentation of satellite images is crucial in remote sensing applications. Existing methods face challenges in recognizing small-scale objects in satellite images for semantic segmentation primarily due to ignoring the low-level characteristics of the underlying network and due to containing distinct amounts of information by different feature maps. Thus, in this research, a tri-level attention-based DeepLabv3+ architecture (DeepTriNet) is proposed for the semantic segmentation of satellite images. The proposed hybrid method combines squeeze-and-excitation networks (SENets) and tri-level attention units (TAUs) with the vanilla DeepLabv3+ architecture, where the TAUs are used to bridge the semantic feature gap among encoders output and the SENets used to put more weight on relevant features. The proposed DeepTriNet finds which features are the more relevant and more generalized way by its self-supervision rather we annotate them. The study showed that the proposed DeepTriNet performs better than many conventional techniques with an accuracy of 98% and 77%, IoU 80% and 58%, precision 88% and 68%, and recall of 79% and 55% on the 4-class Land-Cover.ai dataset and the 15-class GID-2 dataset respectively. The proposed method will greatly contribute to natural resource management and change detection in rural and urban regions through efficient and semantic satellite image segmentation

Motion forecasting for autonomous driving is a challenging task because complex driving scenarios result in a heterogeneous mix of static and dynamic inputs. It is an open problem how best to represent and fuse information about road geometry, lane connectivity, time-varying traffic light state, and history of a dynamic set of agents and their interactions into an effective encoding. To model this diverse set of input features, many approaches proposed to design an equally complex system with a diverse set of modality specific modules. This results in systems that are difficult to scale, extend, or tune in rigorous ways to trade off quality and efficiency. In this paper, we present Wayformer, a family of attention based architectures for motion forecasting that are simple and homogeneous. Wayformer offers a compact model description consisting of an attention based scene encoder and a decoder. In the scene encoder we study the choice of early, late and hierarchical fusion of the input modalities. For each fusion type we explore strategies to tradeoff efficiency and quality via factorized attention or latent query attention. We show that early fusion, despite its simplicity of construction, is not only modality agnostic but also achieves state-of-the-art results on both Waymo Open MotionDataset (WOMD) and Argoverse leaderboards, demonstrating the effectiveness of our design philosophy

We present a neural network model - based on CNNs, RNNs and a novel attention mechanism - which achieves 84.2% accuracy on the challenging French Street Name Signs (FSNS) dataset, significantly outperforming the previous state of the art (Smith'16), which achieved 72.46%. Furthermore, our new method is much simpler and more general than the previous approach. To demonstrate the generality of our model, we show that it also performs well on an even more challenging dataset derived from Google Street View, in which the goal is to extract business names from store fronts. Finally, we study the speed/accuracy tradeoff that results from using CNN feature extractors of different depths. Surprisingly, we find that deeper is not always better (in terms of accuracy, as well as speed). Our resulting model is simple, accurate and fast, allowing it to be used at scale on a variety of challenging real-world text extraction problems.

Semantic segmentation is a vital problem in computer vision. Recently, a common solution to semantic segmentation is the end-to-end convolution neural network, which is much more accurate than traditional methods.Recently, the decoders based on attention achieve state-of-the-art (SOTA) performance on various datasets. But these networks always are compared with the mIoU of previous SOTA networks to prove their superiority and ignore their characteristics without considering the computation complexity and precision in various categories, which is essential for engineering applications. Besides, the methods to analyze the FLOPs and memory are not consistent between different networks, which makes the comparison hard to be utilized. What's more, various methods utilize attention in semantic segmentation, but the conclusion of these methods is lacking. This paper first conducts experiments to analyze their computation complexity and compare their performance. Then it summarizes suitable scenes for these networks and concludes key points that should be concerned when constructing an attention network. Last it points out some future directions of the attention network.

Attention operators have been applied on both 1-D data like texts and higher-order data such as images and videos. Use of attention operators on high-order data requires flattening of the spatial or spatial-temporal dimensions into a vector, which is assumed to follow a multivariate normal distribution. This not only incurs excessive requirements on computational resources, but also fails to preserve structures in data. In this work, we propose to avoid flattening by assuming the data follow matrix-variate normal distributions. Based on this new view, we develop Kronecker attention operators (KAOs) that operate on high-order tensor data directly. More importantly, the proposed KAOs lead to dramatic reductions in computational resources. Experimental results show that our methods reduce the amount of required computational resources by a factor of hundreds, with larger factors for higher-dimensional and higher-order data. Results also show that networks with KAOs outperform models without attention, while achieving competitive performance as those with original attention operators.

Achieving agile and generalized legged locomotion across terrains requires tight integration of perception and control, especially under occlusions and sparse footholds. Existing methods have demonstrated agility on parkour courses but often rely on end-to-end sensorimotor models with limited generalization and interpretability. By contrast, methods targeting generalized locomotion typically exhibit limited agility and struggle with visual occlusions. We introduce AME-2, a unified reinforcement learning (RL) framework for agile and generalized locomotion that incorporates a novel attention-based map encoder in the control policy. This encoder extracts local and global mapping features and uses attention mechanisms to focus on salient regions, producing an interpretable and generalized embedding for RL-based control. We further propose a learning-based mapping pipeline that provides fast, uncertainty-aware terrain representations robust to noise and occlusions, serving as policy inputs. It uses neural networks to convert depth observations into local elevations with uncertainties, and fuses them with odometry. The pipeline also integrates with parallel simulation so that we can train controllers with online mapping, aiding sim-to-real transfer. We validate AME-2 with the proposed mapping pipeline on a quadruped and a biped robot, and the resulting controllers demonstrate strong agility and generalization to unseen terrains in simulation and in real-world experiments.

Ultrasound fetal imaging is beneficial to support prenatal development because it is affordable and non-intrusive. Nevertheless, fetal plane classification (FPC) remains challenging and time-consuming for obstetricians since it depends on nuanced clinical aspects, which increases the difficulty in identifying relevant features of the fetal anatomy. Thus, to assist with its accurate feature extraction, a lightweight artificial intelligence architecture leveraging convolutional neural networks and attention mechanisms is proposed to classify the largest benchmark ultrasound dataset. The approach fine-tunes from lightweight EfficientNet feature extraction backbones pre-trained on the ImageNet1k. to classify key fetal planes such as the brain, femur, thorax, cervix, and abdomen. Our methodology incorporates the attention mechanism to refine features and 3-layer perceptrons for classification, achieving superior performance with the highest Top-1 accuracy of 96.25%, Top-2 accuracy of 99.80% and F1-Score of 0.9576. Importantly, the model has 40x fewer trainable parameters than existing benchmark ensemble or transformer pipelines, facilitating easy deployment on edge devices to help clinical practitioners with real-time FPC. The findings are also interpreted using GradCAM to carry out clinical correlation to aid doctors with diagnostics and improve treatment plans for expectant mothers.

Traditional experimental and numerical approaches for fluid dynamics problems often suffer from high computational cost, mesh sensitivity, and limited capability in capturing complex physical behaviors. Moreover, conventional physics-informed neural networks (PINNs) frequently struggle in chaotic and highly unsteady flow regimes. In this work, we propose PhysicsFormer, a fast and efficient transformer-based physics-informed framework that incorporates multi-head encoder-decoder cross-attention. Unlike multilayer perceptron-based PINNs, PhysicsFormer operates on sequential representations constructed from spatio-temporal data, enabling effective learning of long-range temporal dependencies and improved propagation of initial condition information. A data-embedding strategy is employed to convert spatio-temporal points into pseudo-sequences, while a dynamics-weighted loss function replaces the standard PINNs formulation. Owing to its parallel learning structure, PhysicsFormer demonstrates superior computational efficiency compared to existing transformer-based approaches. The framework is validated on Burgers' equation and flow reconstruction governed by the Navier-Stokes equations, achieving mean squared errors on the order of 10^{-6}. In addition, an inverse problem involving parameter identification in the two-dimensional incompressible Navier-Stokes equations is investigated. For clean data, PhysicsFormer achieves zero identification error for both λ_1 and λ_2; under 1% Gaussian noise, the errors are 0.07% for λ_1 and 0% for λ_2. These results demonstrate that PhysicsFormer provides a reliable and computationally efficient surrogate modeling framework for time-dependent fluid flow problems.

Building AI models with trustworthiness is important especially in regulated areas such as healthcare. In tackling COVID-19, previous work uses convolutional neural networks as the backbone architecture, which has shown to be prone to over-caution and overconfidence in making decisions, rendering them less trustworthy -- a crucial flaw in the context of medical imaging. In this study, we propose a feature learning approach using Vision Transformers, which use an attention-based mechanism, and examine the representation learning capability of Transformers as a new backbone architecture for medical imaging. Through the task of classifying COVID-19 chest radiographs, we investigate into whether generalization capabilities benefit solely from Vision Transformers' architectural advances. Quantitative and qualitative evaluations are conducted on the trustworthiness of the models, through the use of "trust score" computation and a visual explainability technique. We conclude that the attention-based feature learning approach is promising in building trustworthy deep learning models for healthcare.

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.

Video Captioning and Summarization have become very popular in the recent years due to advancements in Sequence Modelling, with the resurgence of Long-Short Term Memory networks (LSTMs) and introduction of Gated Recurrent Units (GRUs). Existing architectures extract spatio-temporal features using CNNs and utilize either GRUs or LSTMs to model dependencies with soft attention layers. These attention layers do help in attending to the most prominent features and improve upon the recurrent units, however, these models suffer from the inherent drawbacks of the recurrent units themselves. The introduction of the Transformer model has driven the Sequence Modelling field into a new direction. In this project, we implement a Transformer-based model for Video captioning, utilizing 3D CNN architectures like C3D and Two-stream I3D for video extraction. We also apply certain dimensionality reduction techniques so as to keep the overall size of the model within limits. We finally present our results on the MSVD and ActivityNet datasets for Single and Dense video captioning tasks respectively.

Purpose: This paper proposes a new network framework called EAR-U-Net, which leverages EfficientNetB4, attention gate, and residual learning techniques to achieve automatic and accurate liver segmentation. Methods: The proposed method is based on the U-Net framework. First, we use EfficientNetB4 as the encoder to extract more feature information during the encoding stage. Then, an attention gate is introduced in the skip connection to eliminate irrelevant regions and highlight features of a specific segmentation task. Finally, to alleviate the problem of gradient vanishment, we replace the traditional convolution of the decoder with a residual block to improve the segmentation accuracy. Results: We verified the proposed method on the LiTS17 and SLiver07 datasets and compared it with classical networks such as FCN, U-Net, Attention U-Net, and Attention Res-U-Net. In the Sliver07 evaluation, the proposed method achieved the best segmentation performance on all five standard metrics. Meanwhile, in the LiTS17 assessment, the best performance is obtained except for a slight inferior on RVD. Moreover, we also participated in the MICCIA-LiTS17 challenge, and the Dice per case score was 0.952. Conclusion: The proposed method's qualitative and quantitative results demonstrated its applicability in liver segmentation and proved its good prospect in computer-assisted liver segmentation.

We propose a technique for producing "visual explanations" for decisions from a large class of CNN-based models, making them more transparent. Our approach - Gradient-weighted Class Activation Mapping (Grad-CAM), uses the gradients of any target concept, flowing into the final convolutional layer to produce a coarse localization map highlighting important regions in the image for predicting the concept. Grad-CAM is applicable to a wide variety of CNN model-families: (1) CNNs with fully-connected layers, (2) CNNs used for structured outputs, (3) CNNs used in tasks with multimodal inputs or reinforcement learning, without any architectural changes or re-training. We combine Grad-CAM with fine-grained visualizations to create a high-resolution class-discriminative visualization and apply it to off-the-shelf image classification, captioning, and visual question answering (VQA) models, including ResNet-based architectures. In the context of image classification models, our visualizations (a) lend insights into their failure modes, (b) are robust to adversarial images, (c) outperform previous methods on localization, (d) are more faithful to the underlying model and (e) help achieve generalization by identifying dataset bias. For captioning and VQA, we show that even non-attention based models can localize inputs. We devise a way to identify important neurons through Grad-CAM and combine it with neuron names to provide textual explanations for model decisions. Finally, we design and conduct human studies to measure if Grad-CAM helps users establish appropriate trust in predictions from models and show that Grad-CAM helps untrained users successfully discern a 'stronger' nodel from a 'weaker' one even when both make identical predictions. Our code is available at https://github.com/ramprs/grad-cam/, along with a demo at http://gradcam.cloudcv.org, and a video at youtu.be/COjUB9Izk6E.

In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder. Our model is based on the three key pillars of drug sensitivity: compounds' structure in the form of a SMILES sequence, gene expression profiles of tumors and prior knowledge on intracellular interactions from protein-protein interaction networks. We demonstrate that our multiscale convolutional attention-based (MCA) encoder significantly outperforms a baseline model trained on Morgan fingerprints, a selection of encoders based on SMILES as well as previously reported state of the art for multimodal drug sensitivity prediction (R2 = 0.86 and RMSE = 0.89). Moreover, the explainability of our approach is demonstrated by a thorough analysis of the attention weights. We show that the attended genes significantly enrich apoptotic processes and that the drug attention is strongly correlated with a standard chemical structure similarity index. Finally, we report a case study of two receptor tyrosine kinase (RTK) inhibitors acting on a leukemia cell line, showcasing the ability of the model to focus on informative genes and submolecular regions of the two compounds. The demonstrated generalizability and the interpretability of our model testify its potential for in-silico prediction of anticancer compound efficacy on unseen cancer cells, positioning it as a valid solution for the development of personalized therapies as well as for the evaluation of candidate compounds in de novo drug design.

Melanoma is a dangerous form of skin cancer caused by the abnormal growth of skin cells. Fully Convolutional Network (FCN) approaches, including the U-Net architecture, can automatically segment skin lesions to aid diagnosis. The symmetrical U-Net model has shown outstanding results, but its use of a convolutional operation limits its ability to capture long-range dependencies, which are essential for accurate medical image segmentation. In addition, the U-shaped structure suffers from the semantic gaps between the encoder and decoder. In this study, we developed and evaluated a U-shaped hierarchical Transformer-based structure for skin lesion segmentation while we proposed an Inter-scale Context Fusion (ISCF) to utilize the attention correlations in each stage of the encoder to adaptively combine the contexts coming from each stage to hinder the semantic gaps. The preliminary results of the skin lesion segmentation benchmark endorse the applicability and efficacy of the ISCF module.

Predicting the future motion of dynamic agents is of paramount importance to ensuring safety and assessing risks in motion planning for autonomous robots. In this study, we propose a two-stage motion prediction method, called R-Pred, designed to effectively utilize both scene and interaction context using a cascade of the initial trajectory proposal and trajectory refinement networks. The initial trajectory proposal network produces M trajectory proposals corresponding to the M modes of the future trajectory distribution. The trajectory refinement network enhances each of the M proposals using 1) tube-query scene attention (TQSA) and 2) proposal-level interaction attention (PIA) mechanisms. TQSA uses tube-queries to aggregate local scene context features pooled from proximity around trajectory proposals of interest. PIA further enhances the trajectory proposals by modeling inter-agent interactions using a group of trajectory proposals selected by their distances from neighboring agents. Our experiments conducted on Argoverse and nuScenes datasets demonstrate that the proposed refinement network provides significant performance improvements compared to the single-stage baseline and that R-Pred achieves state-of-the-art performance in some categories of the benchmarks.

Deep neural networks (DNNs) have become a popular approach for wireless localization based on channel state information (CSI). A common practice is to use the raw CSI in the input and allow the network to learn relevant channel representations for mapping to location information. However, various works show that raw CSI can be very sensitive to system impairments and small changes in the environment. On the contrary, hand-designing features may hinder the limits of channel representation learning of the DNN. In this work, we propose attention-based CSI for robust feature learning. We evaluate the performance of attended features in centralized and distributed massive MIMO systems for ray-tracing channels in two non-stationary railway track environments. By comparison to a base DNN, our approach provides exceptional performance.

Graph-based learning has emerged as a transformative approach for modeling complex relationships across diverse domains, yet its potential in wireless security remains largely unexplored. In this work, we introduce the first application of graph-based learning for jamming source localization, addressing the imminent threat of jamming attacks in wireless networks. Unlike geometric optimization techniques that struggle under environmental uncertainties and dense interference, we reformulate localization as an inductive graph regression task. Our approach integrates structured node representations that encode local and global signal aggregation, ensuring spatial coherence and adaptive signal fusion. To enhance robustness, we incorporate an attention-based graph neural network that adaptively refines neighborhood influence and introduces a confidence-guided estimation mechanism that dynamically balances learned predictions with domain-informed priors. We evaluate our approach under complex radio frequency environments with varying sampling densities and signal propagation conditions, conducting comprehensive ablation studies on graph construction, feature selection, and pooling strategies. Results demonstrate that our novel graph-based learning framework significantly outperforms established localization baselines, particularly in challenging scenarios with sparse and obfuscated signal information. Code is available at [https://github.com/daniaherzalla/gnn-jamming-source-localization](https://github.com/daniaherzalla/gnn-jamming-source-localization).

Real-time assessment of near-term Air Traffic Controller (ATCO) task demand is a critical challenge in an increasingly crowded airspace, as existing complexity metrics often fail to capture nuanced operational drivers beyond simple aircraft counts. This work introduces an interpretable Graph Neural Network (GNN) framework to address this gap. Our attention-based model predicts the number of upcoming clearances, the instructions issued to aircraft by ATCOs, from interactions within static traffic scenarios. Crucially, we derive an interpretable, per-aircraft task demand score by systematically ablating aircraft and measuring the impact on the model's predictions. Our framework significantly outperforms an ATCO-inspired heuristic and is a more reliable estimator of scenario complexity than established baselines. The resulting tool can attribute task demand to specific aircraft, offering a new way to analyse and understand the drivers of complexity for applications in controller training and airspace redesign.

Convolutions operate only locally, thus failing to model global interactions. Self-attention is, however, able to learn representations that capture long-range dependencies in sequences. We propose a network architecture for audio super-resolution that combines convolution and self-attention. Attention-based Feature-Wise Linear Modulation (AFiLM) uses self-attention mechanism instead of recurrent neural networks to modulate the activations of the convolutional model. Extensive experiments show that our model outperforms existing approaches on standard benchmarks. Moreover, it allows for more parallelization resulting in significantly faster training.

Tracking entities in procedural language requires understanding the transformations arising from actions on entities as well as those entities' interactions. While self-attention-based pre-trained language encoders like GPT and BERT have been successfully applied across a range of natural language understanding tasks, their ability to handle the nuances of procedural texts is still untested. In this paper, we explore the use of pre-trained transformer networks for entity tracking tasks in procedural text. First, we test standard lightweight approaches for prediction with pre-trained transformers, and find that these approaches underperform even simple baselines. We show that much stronger results can be attained by restructuring the input to guide the transformer model to focus on a particular entity. Second, we assess the degree to which transformer networks capture the process dynamics, investigating such factors as merged entities and oblique entity references. On two different tasks, ingredient detection in recipes and QA over scientific processes, we achieve state-of-the-art results, but our models still largely attend to shallow context clues and do not form complex representations of intermediate entity or process state.

We propose a novel method for unsupervised image-to-image translation, which incorporates a new attention module and a new learnable normalization function in an end-to-end manner. The attention module guides our model to focus on more important regions distinguishing between source and target domains based on the attention map obtained by the auxiliary classifier. Unlike previous attention-based method which cannot handle the geometric changes between domains, our model can translate both images requiring holistic changes and images requiring large shape changes. Moreover, our new AdaLIN (Adaptive Layer-Instance Normalization) function helps our attention-guided model to flexibly control the amount of change in shape and texture by learned parameters depending on datasets. Experimental results show the superiority of the proposed method compared to the existing state-of-the-art models with a fixed network architecture and hyper-parameters. Our code and datasets are available at https://github.com/taki0112/UGATIT or https://github.com/znxlwm/UGATIT-pytorch.

Graph Neural Networks (GNNs) have demonstrated remarkable success in various domains such as social networks, molecular chemistry, and more. A crucial component of GNNs is the pooling procedure, in which the node features calculated by the model are combined to form an informative final descriptor to be used for the downstream task. However, previous graph pooling schemes rely on the last GNN layer features as an input to the pooling or classifier layers, potentially under-utilizing important activations of previous layers produced during the forward pass of the model, which we regard as historical graph activations. This gap is particularly pronounced in cases where a node's representation can shift significantly over the course of many graph neural layers, and worsened by graph-specific challenges such as over-smoothing in deep architectures. To bridge this gap, we introduce HISTOGRAPH, a novel two-stage attention-based final aggregation layer that first applies a unified layer-wise attention over intermediate activations, followed by node-wise attention. By modeling the evolution of node representations across layers, our HISTOGRAPH leverages both the activation history of nodes and the graph structure to refine features used for final prediction. Empirical results on multiple graph classification benchmarks demonstrate that HISTOGRAPH offers strong performance that consistently improves traditional techniques, with particularly strong robustness in deep GNNs.

Convolutional Neural Networks (CNNs) have been the standard for image classification tasks for a long time, but more recently attention-based mechanisms have gained traction. This project aims to compare traditional CNNs with attention-augmented CNNs across an image classification task. By evaluating and comparing their performance, accuracy and computational efficiency, the project will highlight benefits and trade-off of the localized feature extraction of traditional CNNs and the global context capture in attention-augmented CNNs. By doing this, we can reveal further insights into their respective strengths and weaknesses, guide the selection of models based on specific application needs and ultimately, enhance understanding of these architectures in the deep learning community. This was our final project for CS7643 Deep Learning course at Georgia Tech.

The deployment of deep neural networks on resource-constrained devices necessitates effective model com- pression strategies that judiciously balance the reduction of model size with the preservation of performance. This study introduces a novel safety-driven quantization framework that leverages preservation sets to systematically prune and quantize neural network weights, thereby optimizing model complexity without compromising accuracy. The proposed methodology is rigorously evaluated on both a convolutional neural network (CNN) and an attention-based language model, demonstrating its applicability across diverse architectural paradigms. Experimental results reveal that our framework achieves up to a 2.5% enhancement in test accuracy relative to the original unquantized models while maintaining 60% of the initial model size. In comparison to conventional quantization techniques, our approach not only augments generalization by eliminating parameter noise and retaining essential weights but also reduces variance, thereby ensuring the retention of critical model features. These findings underscore the efficacy of safety-driven quantization as a robust and reliable strategy for the efficient optimization of deep learn- ing models. The implementation and comprehensive experimental evaluations of our framework are publicly accessible at GitHub.

We report a series of deep learning models to solve complex forward and inverse design problems in molecular modeling and design. Using both diffusion models inspired by nonequilibrium thermodynamics and attention-based transformer architectures, we demonstrate a flexible framework to capture complex chemical structures. First trained on the QM9 dataset and a series of quantum mechanical properties (e.g. homo, lumo, free energy, heat capacity, etc.), we then generalize the model to study and design key properties of deep eutectic solvents. In addition to separate forward and inverse models, we also report an integrated fully prompt-based multi-task generative pretrained transformer model that solves multiple forward, inverse design, and prediction tasks, flexibly and within one model. We show that the multi-task generative model has the overall best performance and allows for flexible integration of multiple objectives, within one model, and for distinct chemistries, suggesting that synergies emerge during training of this large language model. Trained jointly in tasks related to the QM9 dataset and deep eutectic solvents (DESs), the model can predict various quantum mechanical properties and critical properties to achieve deep eutectic solvent behavior. Several novel combinations of DESs are proposed based on this framework.

Long-sequence modeling faces a fundamental trade-off between the efficiency of compressive fixed-size memory in RNN-like models and the fidelity of lossless growing memory in attention-based Transformers. Inspired by the Multi-Store Model in cognitive science, we introduce a memory framework of artificial neural networks. Our method maintains a sliding window of the Transformer's KV cache as lossless short-term memory, while a learnable module termed Artificial Hippocampus Network (AHN) recurrently compresses out-of-window information into a fixed-size compact long-term memory. To validate this framework, we instantiate AHNs using modern RNN-like architectures, including Mamba2, DeltaNet, and Gated DeltaNet. Extensive experiments on long-context benchmarks LV-Eval and InfiniteBench demonstrate that AHN-augmented models consistently outperform sliding window baselines and achieve performance comparable or even superior to full-attention models, while substantially reducing computational and memory requirements. For instance, augmenting the Qwen2.5-3B-Instruct with AHNs reduces inference FLOPs by 40.5% and memory cache by 74.0%, while improving its average score on LV-Eval (128k sequence length) from 4.41 to 5.88. Code is available at: https://github.com/ByteDance-Seed/AHN.

Given the importance of getting calibrated predictions and reliable uncertainty estimations, various post-hoc calibration methods have been developed for neural networks on standard multi-class classification tasks. However, these methods are not well suited for calibrating graph neural networks (GNNs), which presents unique challenges such as accounting for the graph structure and the graph-induced correlations between the nodes. In this work, we conduct a systematic study on the calibration qualities of GNN node predictions. In particular, we identify five factors which influence the calibration of GNNs: general under-confident tendency, diversity of nodewise predictive distributions, distance to training nodes, relative confidence level, and neighborhood similarity. Furthermore, based on the insights from this study, we design a novel calibration method named Graph Attention Temperature Scaling (GATS), which is tailored for calibrating graph neural networks. GATS incorporates designs that address all the identified influential factors and produces nodewise temperature scaling using an attention-based architecture. GATS is accuracy-preserving, data-efficient, and expressive at the same time. Our experiments empirically verify the effectiveness of GATS, demonstrating that it can consistently achieve state-of-the-art calibration results on various graph datasets for different GNN backbones.

Although purely transformer-based architectures showed promising performance in many computer vision tasks, many hybrid models consisting of CNN and transformer blocks are introduced to fit more specialized tasks. Nevertheless, despite the performance gain of both pure and hybrid transformer-based architectures compared to CNNs in medical imaging segmentation, their high training cost and complexity make it challenging to use them in real scenarios. In this work, we propose simple architectures based on purely convolutional layers, and show that by just taking advantage of the attention map visualizations obtained from a self-supervised pretrained vision transformer network (e.g., DINO) one can outperform complex transformer-based networks with much less computation costs. The proposed architecture is composed of two encoder branches with the original image as input in one branch and the attention map visualizations of the same image from multiple self-attention heads from a pre-trained DINO model (as multiple channels) in the other branch. The results of our experiments on two publicly available medical imaging datasets show that the proposed pipeline outperforms U-Net and the state-of-the-art medical image segmentation models.

We propose focal modulation networks (FocalNets in short), where self-attention (SA) is completely replaced by a focal modulation mechanism for modeling token interactions in vision. Focal modulation comprises three components: (i) hierarchical contextualization, implemented using a stack of depth-wise convolutional layers, to encode visual contexts from short to long ranges, (ii) gated aggregation to selectively gather contexts for each query token based on its content, and (iii) element-wise modulation or affine transformation to inject the aggregated context into the query. Extensive experiments show FocalNets outperform the state-of-the-art SA counterparts (e.g., Swin and Focal Transformers) with similar computational costs on the tasks of image classification, object detection, and segmentation. Specifically, FocalNets with tiny and base size achieve 82.3% and 83.9% top-1 accuracy on ImageNet-1K. After pretrained on ImageNet-22K in 224 resolution, it attains 86.5% and 87.3% top-1 accuracy when finetuned with resolution 224 and 384, respectively. When transferred to downstream tasks, FocalNets exhibit clear superiority. For object detection with Mask R-CNN, FocalNet base trained with 1\times outperforms the Swin counterpart by 2.1 points and already surpasses Swin trained with 3\times schedule (49.0 v.s. 48.5). For semantic segmentation with UPerNet, FocalNet base at single-scale outperforms Swin by 2.4, and beats Swin at multi-scale (50.5 v.s. 49.7). Using large FocalNet and Mask2former, we achieve 58.5 mIoU for ADE20K semantic segmentation, and 57.9 PQ for COCO Panoptic Segmentation. Using huge FocalNet and DINO, we achieved 64.3 and 64.4 mAP on COCO minival and test-dev, respectively, establishing new SoTA on top of much larger attention-based models like Swinv2-G and BEIT-3. Code and checkpoints are available at https://github.com/microsoft/FocalNet.

Recent transformer-based super-resolution (SR) methods have achieved promising results against conventional CNN-based methods. However, these approaches suffer from essential shortsightedness created by only utilizing the standard self-attention-based reasoning. In this paper, we introduce an effective hybrid SR network to aggregate enriched features, including local features from CNNs and long-range multi-scale dependencies captured by transformers. Specifically, our network comprises transformer and convolutional branches, which synergetically complement each representation during the restoration procedure. Furthermore, we propose a cross-scale token attention module, allowing the transformer branch to exploit the informative relationships among tokens across different scales efficiently. Our proposed method achieves state-of-the-art SR results on numerous benchmark datasets.

Rapidly creating effective visualizations using expressive grammars is challenging for users who have limited time and limited skills in statistics and data visualization. Even high-level, dedicated visualization tools often require users to manually select among data attributes, decide which transformations to apply, and specify mappings between visual encoding variables and raw or transformed attributes. In this paper we introduce Data2Vis, a neural translation model for automatically generating visualizations from given datasets. We formulate visualization generation as a sequence to sequence translation problem where data specifications are mapped to visualization specifications in a declarative language (Vega-Lite). To this end, we train a multilayered attention-based recurrent neural network (RNN) with long short-term memory (LSTM) units on a corpus of visualization specifications. Qualitative results show that our model learns the vocabulary and syntax for a valid visualization specification, appropriate transformations (count, bins, mean) and how to use common data selection patterns that occur within data visualizations. Data2Vis generates visualizations that are comparable to manually-created visualizations in a fraction of the time, with potential to learn more complex visualization strategies at scale.

We introduce a novel meme generation system, which given any image can produce a humorous and relevant caption. Furthermore, the system can be conditioned on not only an image but also a user-defined label relating to the meme template, giving a handle to the user on meme content. The system uses a pretrained Inception-v3 network to return an image embedding which is passed to an attention-based deep-layer LSTM model producing the caption - inspired by the widely recognised Show and Tell Model. We implement a modified beam search to encourage diversity in the captions. We evaluate the quality of our model using perplexity and human assessment on both the quality of memes generated and whether they can be differentiated from real ones. Our model produces original memes that cannot on the whole be differentiated from real ones.

The goal of video watermarking is to embed a message within a video file in a way such that it minimally impacts the viewing experience but can be recovered even if the video is redistributed and modified, allowing media producers to assert ownership over their content. This paper presents RivaGAN, a novel architecture for robust video watermarking which features a custom attention-based mechanism for embedding arbitrary data as well as two independent adversarial networks which critique the video quality and optimize for robustness. Using this technique, we are able to achieve state-of-the-art results in deep learning-based video watermarking and produce watermarked videos which have minimal visual distortion and are robust against common video processing operations.

Abstract: Cover song identification (CSI) focuses on finding the same music with different versions in reference anchors given a query track. In this paper, we propose a novel system named CoverHunter that overcomes the shortcomings of existing detection schemes by exploring richer features with refined attention and alignments. CoverHunter contains three key modules: 1) A convolution-augmented transformer (i.e., Conformer) structure that captures both local and global feature interactions in contrast to previous methods mainly relying on convolutional neural networks; 2) An attention-based time pooling module that further exploits the attention in the time dimension; 3) A novel coarse-to-fine training scheme that first trains a network to roughly align the song chunks and then refines the network by training on the aligned chunks. At the same time, we also summarize some important training tricks used in our system that help achieve better results. Experiments on several standard CSI datasets show that our method significantly improves over state-of-the-art methods with an embedding size of 128 (2.3% on SHS100K-TEST and 17.7% on DaTacos).

This paper presents a comprehensive study on stock price prediction, leveragingadvanced machine learning (ML) and deep learning (DL) techniques to improve financial forecasting accuracy. The research evaluates the performance of various recurrent neural network (RNN) architectures, including Long Short-Term Memory (LSTM) networks, Gated Recurrent Units (GRU), and attention-based models. These models are assessed for their ability to capture complex temporal dependencies inherent in stock market data. Our findings show that attention-based models outperform other architectures, achieving the highest accuracy by capturing both short and long-term dependencies. This study contributes valuable insights into AI-driven financial forecasting, offering practical guidance for developing more accurate and efficient trading systems.

Operational phase unwrapping is the primary computational bottleneck in InSAR-based volcanic and seismic monitoring. We challenge the industry trend of adopting high-complexity computer vision architectures, such as attention mechanisms, without validating their suitability for physics-constrained geophysical regression. We present the first large-scale architectural ablation study on a global LiCSAR benchmark (20 frames, 39,724 patches, 651M pixels). Our results reveal a significant "complexity penalty": a vanilla U-Net (7.76M parameters) achieves R^2=0.834 and RMSE = 1.01 cm, outperforming 11.37M-parameter attention-based models by 34% in R^2 and 51% in RMSE. Power Spectral Density (PSD) analysis provides the physical justification: while attention excels at capturing sharp semantic edges in natural images, it injects unphysical high-frequency artifacts (>0.3 cycles/pixel) into geophysical fields, violating the fundamental smoothness constraints of elastic surface deformation. With a 2.92ms inference latency (a 2.5times speedup), the vanilla U-Net is the only candidate to comfortably meet the sub-100ms requirement for operational early-warning systems. This work bridges the "publication-to-practice" gap by proving that convolutional locality outperforms modern complexity for smooth-field regression, advocating for physics-informed simplicity in ML4RS. Code available at https://github.com/prabhjotschugh/When-Less-is-More-InSAR-Phase-Unwrapping

Encoder-decoder models have become an effective approach for sequence learning tasks like machine translation, image captioning and speech recognition, but have yet to show competitive results for handwritten text recognition. To this end, we propose an attention-based sequence-to-sequence model. It combines a convolutional neural network as a generic feature extractor with a recurrent neural network to encode both the visual information, as well as the temporal context between characters in the input image, and uses a separate recurrent neural network to decode the actual character sequence. We make experimental comparisons between various attention mechanisms and positional encodings, in order to find an appropriate alignment between the input and output sequence. The model can be trained end-to-end and the optional integration of a hybrid loss allows the encoder to retain an interpretable and usable output, if desired. We achieve competitive results on the IAM and ICFHR2016 READ data sets compared to the state-of-the-art without the use of a language model, and we significantly improve over any recent sequence-to-sequence approaches.

Deep learning employs multi-layer neural networks trained via the backpropagation algorithm. This approach has achieved success across many domains and relies on adaptive gradient methods such as the Adam optimizer. Sequence modeling evolved from recurrent neural networks to attention-based models, culminating in the Transformer architecture. Transformers have achieved state-of-the-art performance in natural language processing (for example, BERT and GPT-3) and have been applied in computer vision and computational biology. However, theoretical understanding of these models remains limited. In this paper, we examine the mathematical foundations of deep learning and Transformers and present a novel theoretical result. We review key concepts from linear algebra, probability, and optimization that underpin deep learning, and we analyze the multi-head self-attention mechanism and the backpropagation algorithm in detail. Our main contribution is a universal approximation theorem for Transformers: we prove that a single-layer Transformer, comprising one self-attention layer followed by a position-wise feed-forward network with ReLU activation, can approximate any continuous sequence-to-sequence mapping on a compact domain to arbitrary precision. We provide a formal statement and a complete proof. Finally, we present case studies that demonstrate the practical implications of this result. Our findings advance the theoretical understanding of Transformer models and help bridge the gap between theory and practice.

Neuroscience employs diverse neuroimaging techniques, each offering distinct insights into brain activity, from electrophysiological recordings such as EEG, which have high temporal resolution, to hemodynamic modalities such as fMRI, which have increased spatial precision. However, integrating these heterogeneous data sources remains a challenge, which limits a comprehensive understanding of brain function. We present the Spatiotemporal Alignment of Multimodal Brain Activity (SAMBA) framework, which bridges the spatial and temporal resolution gaps across modalities by learning a unified latent space free of modality-specific biases. SAMBA introduces a novel attention-based wavelet decomposition for spectral filtering of electrophysiological recordings, graph attention networks to model functional connectivity between functional brain units, and recurrent layers to capture temporal autocorrelations in brain signal. We show that the training of SAMBA, aside from achieving translation, also learns a rich representation of brain information processing. We showcase this classify external stimuli driving brain activity from the representation learned in hidden layers of SAMBA, paving the way for broad downstream applications in neuroscience research and clinical contexts.

Natural data is redundant yet predominant architectures tile computation uniformly across their input and output space. We propose the Recurrent Interface Networks (RINs), an attention-based architecture that decouples its core computation from the dimensionality of the data, enabling adaptive computation for more scalable generation of high-dimensional data. RINs focus the bulk of computation (i.e. global self-attention) on a set of latent tokens, using cross-attention to read and write (i.e. route) information between latent and data tokens. Stacking RIN blocks allows bottom-up (data to latent) and top-down (latent to data) feedback, leading to deeper and more expressive routing. While this routing introduces challenges, this is less problematic in recurrent computation settings where the task (and routing problem) changes gradually, such as iterative generation with diffusion models. We show how to leverage recurrence by conditioning the latent tokens at each forward pass of the reverse diffusion process with those from prior computation, i.e. latent self-conditioning. RINs yield state-of-the-art pixel diffusion models for image and video generation, scaling to 1024X1024 images without cascades or guidance, while being domain-agnostic and up to 10X more efficient than 2D and 3D U-Nets.

We present a data-adaptive method for parameter-efficient fine-tuning of large neural networks. Standard low-rank adaptation methods improve efficiency by restricting each layer update to a fixed low-rank form, but this static parameterization can be too rigid when the appropriate correction depends on the input and on the evolving depth-wise computation of the network. Our approach replaces a purely layer-local adapter with a shared queryable memory of low-rank update atoms. For each block of layers, the model forms a query from the current low-rank state and a running summary of previous blocks, uses this query to retrieve a content-dependent combination of shared update components via attention, and applies the resulting routed operator within the low-rank bottleneck. In this way, the method retains the efficiency and scalability of low-rank adaptation while allowing the effective update to vary across inputs and to share reusable structure across layers. The resulting architecture provides a principled middle ground between static LoRA-style updates and fully generated parameter updates: it remains compact and parameter-efficient while supporting dynamic, context-sensitive adaptation. Further, we incorporate instruction-regularization by augmenting routing logits with a language-induced prior over update atoms, thereby biasing the selection of low-rank transformations toward semantically relevant directions without generating unconstrained parameter updates. Experiments on noisy non-linear regression tasks and LLM fine-tuning suggest that this queryable update-memory formulation can improve final test performance and training stability compared to standard low-rank adaptation, while using a comparable number of trainable parameters.

This report introduces PixelBytes Embedding, a novel approach for unified multimodal representation learning. Our method captures diverse inputs in a single, cohesive representation, enabling emergent properties for multimodal sequence generation, particularly for text and pixelated images. Inspired by state-of-the-art sequence models such as Image Transformers, PixelCNN, and Mamba-Bytes, PixelBytes aims to address the challenges of integrating different data types. We explore various model architectures, including Recurrent Neural Networks (RNNs), State Space Models (SSMs), and Attention-based models, focusing on bidirectional processing and our innovative PxBy embedding technique. Our experiments, conducted on a specialized PixelBytes Pok{\'e}mon dataset, demonstrate that bidirectional sequence models with PxBy embedding and convolutional layers can generate coherent multimodal sequences. This work contributes to the advancement of integrated AI models capable of understanding and generating multimodal data in a unified manner.

Concept Activation Vectors (CAVs) provide a powerful approach for interpreting deep neural networks by quantifying their sensitivity to human-defined concepts. However, when computed independently at different layers, CAVs often exhibit inconsistencies, making cross-layer comparisons unreliable. To address this issue, we propose the Global Concept Activation Vector (GCAV), a novel framework that unifies CAVs into a single, semantically consistent representation. Our method leverages contrastive learning to align concept representations across layers and employs an attention-based fusion mechanism to construct a globally integrated CAV. By doing so, our method significantly reduces the variance in TCAV scores while preserving concept relevance, ensuring more stable and reliable concept attributions. To evaluate the effectiveness of GCAV, we introduce Testing with Global Concept Activation Vectors (TGCAV) as a method to apply TCAV to GCAV-based representations. We conduct extensive experiments on multiple deep neural networks, demonstrating that our method effectively mitigates concept inconsistency across layers, enhances concept localization, and improves robustness against adversarial perturbations. By integrating cross-layer information into a coherent framework, our method offers a more comprehensive and interpretable understanding of how deep learning models encode human-defined concepts. Code and models are available at https://github.com/Zhenghao-He/GCAV.

G protein-coupled receptors (GPCRs) govern diverse physiological processes and are central to modern pharmacology. Yet discovering GPCR modulators remains challenging because receptor activation often arises from complex allosteric effects rather than direct binding affinity, and conventional assays are slow, costly, and not optimized for capturing these dynamics. Here we present GPCR-Filter, a deep learning framework specifically developed for GPCR modulator discovery. We assembled a high-quality dataset of over 90,000 experimentally validated GPCR-ligand pairs, providing a robust foundation for training and evaluation. GPCR-Filter integrates the ESM-3 protein language model for high-fidelity GPCR sequence representations with graph neural networks that encode ligand structures, coupled through an attention-based fusion mechanism that learns receptor-ligand functional relationships. Across multiple evaluation settings, GPCR-Filter consistently outperforms state-of-the-art compound-protein interaction models and exhibits strong generalization to unseen receptors and ligands. Notably, the model successfully identified micromolar-level agonists of the 5-HT1A receptor with distinct chemical frameworks. These results establish GPCR-Filter as a scalable and effective computational approach for GPCR modulator discovery, advancing AI-assisted drug development for complex signaling systems.

Neural networks trained with gradient descent often learn solutions of increasing complexity over time, a phenomenon known as simplicity bias. Despite being widely observed across architectures, existing theoretical treatments lack a unifying framework. We present a theoretical framework that explains a simplicity bias arising from saddle-to-saddle learning dynamics for a general class of neural networks, incorporating fully-connected, convolutional, and attention-based architectures. Here, simple means expressible with few hidden units, i.e., hidden neurons, convolutional kernels, or attention heads. Specifically, we show that linear networks learn solutions of increasing rank, ReLU networks learn solutions with an increasing number of kinks, convolutional networks learn solutions with an increasing number of convolutional kernels, and self-attention models learn solutions with an increasing number of attention heads. By analyzing fixed points, invariant manifolds, and dynamics of gradient descent learning, we show that saddle-to-saddle dynamics operates by iteratively evolving near an invariant manifold, approaching a saddle, and switching to another invariant manifold. Our analysis also disentangles data-induced and initialization-induced saddle-to-saddle dynamics. In particular, the former leads to low-rank weights while the latter to sparse weights. Equipped with the theory, we predict the effects of data distribution and weight initialization on the duration and number of plateaus in learning. Overall, our theory offers a framework for understanding when and why gradient descent progressively learns increasingly complex solutions.

This report presents PixelBytes, an approach for unified multimodal representation learning. Drawing inspiration from sequence models like Image Transformers, PixelCNN, and Mamba-Bytes, we explore integrating text, audio, action-state, and pixelated images (sprites) into a cohesive representation. We conducted experiments on a PixelBytes Pokemon dataset and an Optimal-Control dataset. Our investigation covered various model architectures, including Recurrent Neural Networks (RNNs), State Space Models (SSMs), and Attention-based models, with a focus on bidirectional processing and our PxBy embedding technique. We evaluated models based on data reduction strategies and autoregressive learning, specifically examining Long Short-Term Memory (LSTM) networks in predictive and autoregressive modes. Our results indicate that autoregressive models perform better than predictive models in this context. Additionally, we found that diffusion models can be applied to control problems and parallelized generation. PixelBytes aims to contribute to the development of foundation models for multimodal data processing and generation. The project's code, models, and datasets are available online.

In this work we propose a new computational framework, based on generative deep models, for synthesis of photo-realistic food meal images from textual list of its ingredients. Previous works on synthesis of images from text typically rely on pre-trained text models to extract text features, followed by generative neural networks (GAN) aimed to generate realistic images conditioned on the text features. These works mainly focus on generating spatially compact and well-defined categories of objects, such as birds or flowers, but meal images are significantly more complex, consisting of multiple ingredients whose appearance and spatial qualities are further modified by cooking methods. To generate real-like meal images from ingredients, we propose Cook Generative Adversarial Networks (CookGAN), CookGAN first builds an attention-based ingredients-image association model, which is then used to condition a generative neural network tasked with synthesizing meal images. Furthermore, a cycle-consistent constraint is added to further improve image quality and control appearance. Experiments show our model is able to generate meal images corresponding to the ingredients.

In recent years, graph representation learning has undergone a paradigm shift, driven by the emergence and proliferation of graph neural networks (GNNs) and their heterogeneous counterparts. Heterogeneous GNNs have shown remarkable success in extracting low-dimensional embeddings from complex graphs that encompass diverse entity types and relationships. While meta-path-based techniques have long been recognized for their ability to capture semantic affinities among nodes, their dependence on manual specification poses a significant limitation. In contrast, matrix-focused methods accelerate processing by utilizing structural cues but often overlook contextual richness. In this paper, we challenge the current paradigm by introducing ontology as a fundamental semantic primitive within complex graphs. Our goal is to integrate the strengths of both matrix-centric and meta-path-based approaches into a unified framework. We propose perturbation Ontology-based Graph Attention Networks (POGAT), a novel methodology that combines ontology subgraphs with an advanced self-supervised learning paradigm to achieve a deep contextual understanding. The core innovation of POGAT lies in our enhanced homogeneous perturbing scheme designed to generate rigorous negative samples, encouraging the model to explore minimal contextual features more thoroughly. Through extensive empirical evaluations, we demonstrate that POGAT significantly outperforms state-of-the-art baselines, achieving a groundbreaking improvement of up to 10.78\% in F1-score for the critical task of link prediction and 12.01\% in Micro-F1 for the critical task of node classification.

Multi-band radiomap reconstruction (MB-RMR) is a key component in wireless communications for tasks such as spectrum management and network planning. However, traditional machine-learning-based MB-RMR methods, which rely heavily on simulated data or complete structured ground truth, face significant deployment challenges. These challenges stem from the differences between simulated and actual data, as well as the scarcity of real-world measurements. To address these challenges, our study presents RadioGAT, a novel framework based on Graph Attention Network (GAT) tailored for MB-RMR within a single area, eliminating the need for multi-region datasets. RadioGAT innovatively merges model-based spatial-spectral correlation encoding with data-driven radiomap generalization, thus minimizing the reliance on extensive data sources. The framework begins by transforming sparse multi-band data into a graph structure through an innovative encoding strategy that leverages radio propagation models to capture the spatial-spectral correlation inherent in the data. This graph-based representation not only simplifies data handling but also enables tailored label sampling during training, significantly enhancing the framework's adaptability for deployment. Subsequently, The GAT is employed to generalize the radiomap information across various frequency bands. Extensive experiments using raytracing datasets based on real-world environments have demonstrated RadioGAT's enhanced accuracy in supervised learning settings and its robustness in semi-supervised scenarios. These results underscore RadioGAT's effectiveness and practicality for MB-RMR in environments with limited data availability.

Action localization networks are often structured as a feature encoder sub-network and a localization sub-network, where the feature encoder learns to transform an input video to features that are useful for the localization sub-network to generate reliable action proposals. While some of the encoded features may be more useful for generating action proposals, prior action localization approaches do not include any attention mechanism that enables the localization sub-network to attend more to the more important features. In this paper, we propose a novel attention mechanism, the Class Semantics-based Attention (CSA), that learns from the temporal distribution of semantics of action classes present in an input video to find the importance scores of the encoded features, which are used to provide attention to the more useful encoded features. We demonstrate on two popular action detection datasets that incorporating our novel attention mechanism provides considerable performance gains on competitive action detection models (e.g., around 6.2% improvement over BMN action detection baseline to obtain 47.5% mAP on the THUMOS-14 dataset), and a new state-of-the-art of 36.25% mAP on the ActivityNet v1.3 dataset. Further, the CSA localization model family which includes BMN-CSA, was part of the second-placed submission at the 2021 ActivityNet action localization challenge. Our attention mechanism outperforms prior self-attention modules such as the squeeze-and-excitation in action detection task. We also observe that our attention mechanism is complementary to such self-attention modules in that performance improvements are seen when both are used together.

We present an attention mechanism inspired from definition of screened Coulomb potential. This attention mechanism was used to interpret the Graph Attention (GAT) model layers and training dataset by using a flexible and scalable framework (CoulGAT) developed for this purpose. Using CoulGAT, a forest of plain and resnet models were trained and characterized using this attention mechanism against CHAMPS dataset. The learnable variables of the attention mechanism are used to extract node-node and node-feature interactions to define an empirical standard model for the graph structure and hidden layer. This representation of graph and hidden layers can be used as a tool to compare different models, optimize hidden layers and extract a compact definition of graph structure of the dataset.

Accurate breast lesion risk estimation can significantly reduce unnecessary biopsies and help doctors decide optimal treatment plans. Most existing computer-aided systems rely solely on mammogram features to classify breast lesions. While this approach is convenient, it does not fully exploit useful information in clinical reports to achieve the optimal performance. Would clinical features significantly improve breast lesion classification compared to using mammograms alone? How to handle missing clinical information caused by variation in medical practice? What is the best way to combine mammograms and clinical features? There is a compelling need for a systematic study to address these fundamental questions. This paper investigates several multimodal deep networks based on feature concatenation, cross-attention, and co-attention to combine mammograms and categorical clinical variables. We show that the proposed architectures significantly increase the lesion classification performance (average area under ROC curves from 0.89 to 0.94). We also evaluate the model when clinical variables are missing.

Evaluating defensive performance in soccer remains challenging, as effective defending is often expressed not through visible on-ball actions such as interceptions and tackles, but through preventing dangerous opportunities before they arise. Existing approaches have largely focused on valuing on-ball actions, leaving much of defenders' true impact unmeasured. To address this gap, we propose DEFCON (DEFensive CONtribution evaluator), a comprehensive framework that quantifies player-level defensive contributions for every attacking situation in soccer. Leveraging Graph Attention Networks, DEFCON estimates the success probability and expected value of each attacking option, along with each defender's responsibility for stopping it. These components yield an Expected Possession Value (EPV) for the attacking team before and after each action, and DEFCON assigns positive or negative credits to defenders according to whether they reduced or increased the opponent's EPV. Trained on 2023-24 and evaluated on 2024-25 Eredivisie event and tracking data, DEFCON's aggregated player credits exhibit strong positive correlations with market valuations. Finally, we showcase several practical applications, including in-game timelines of defensive contributions, spatial analyses across pitch zones, and pairwise summaries of attacker-defender interactions.

Intracerebral Hemorrhage (ICH) is the deadliest subtype of stroke, necessitating timely and accurate prognostic evaluation to reduce mortality and disability. However, the multi-factorial nature and complexity of ICH make methods based solely on computed tomography (CT) image features inadequate. Despite the capacity of cross-modal networks to fuse additional information, the effective combination of different modal features remains a significant challenge. In this study, we propose a joint-attention fusion-based 3D cross-modal network termed ICHPro that simulates the ICH prognosis interpretation process utilized by neurosurgeons. ICHPro includes a joint-attention fusion module to fuse features from CT images with demographic and clinical textual data. To enhance the representation of cross-modal features, we introduce a joint loss function. ICHPro facilitates the extraction of richer cross-modal features, thereby improving classification performance. Upon testing our method using a five-fold cross-validation, we achieved an accuracy of 89.11%, an F1 score of 0.8767, and an AUC value of 0.9429. These results outperform those obtained from other advanced methods based on the test dataset, thereby demonstrating the superior efficacy of ICHPro. The code is available at our Github: https://github.com/YU-deep/ICH.

Automatically discovering composable abstractions from raw perceptual data is a long-standing challenge in machine learning. Recent slot-based neural networks that learn about objects in a self-supervised manner have made exciting progress in this direction. However, they typically fall short at adequately capturing spatial symmetries present in the visual world, which leads to sample inefficiency, such as when entangling object appearance and pose. In this paper, we present a simple yet highly effective method for incorporating spatial symmetries via slot-centric reference frames. We incorporate equivariance to per-object pose transformations into the attention and generation mechanism of Slot Attention by translating, scaling, and rotating position encodings. These changes result in little computational overhead, are easy to implement, and can result in large gains in terms of data efficiency and overall improvements to object discovery. We evaluate our method on a wide range of synthetic object discovery benchmarks namely CLEVR, Tetrominoes, CLEVRTex, Objects Room and MultiShapeNet, and show promising improvements on the challenging real-world Waymo Open dataset.

Visual Question Answering (VQA) requires integration of feature maps with drastically different structures and focus of the correct regions. Image descriptors have structures at multiple spatial scales, while lexical inputs inherently follow a temporal sequence and naturally cluster into semantically different question types. A lot of previous works use complex models to extract feature representations but neglect to use high-level information summary such as question types in learning. In this work, we propose Question Type-guided Attention (QTA). It utilizes the information of question type to dynamically balance between bottom-up and top-down visual features, respectively extracted from ResNet and Faster R-CNN networks. We experiment with multiple VQA architectures with extensive input ablation studies over the TDIUC dataset and show that QTA systematically improves the performance by more than 5% across multiple question type categories such as "Activity Recognition", "Utility" and "Counting" on TDIUC dataset. By adding QTA on the state-of-art model MCB, we achieve 3% improvement for overall accuracy. Finally, we propose a multi-task extension to predict question types which generalizes QTA to applications that lack of question type, with minimal performance loss.

Previous works have shown that increasing the window size for Transformer-based image super-resolution models (e.g., SwinIR) can significantly improve the model performance but the computation overhead is also considerable. In this paper, we present SRFormer, a simple but novel method that can enjoy the benefit of large window self-attention but introduces even less computational burden. The core of our SRFormer is the permuted self-attention (PSA), which strikes an appropriate balance between the channel and spatial information for self-attention. Our PSA is simple and can be easily applied to existing super-resolution networks based on window self-attention. Without any bells and whistles, we show that our SRFormer achieves a 33.86dB PSNR score on the Urban100 dataset, which is 0.46dB higher than that of SwinIR but uses fewer parameters and computations. We hope our simple and effective approach can serve as a useful tool for future research in super-resolution model design.

Recently, neural networks purely based on attention were shown to address image understanding tasks such as image classification. However, these visual transformers are pre-trained with hundreds of millions of images using an expensive infrastructure, thereby limiting their adoption. In this work, we produce a competitive convolution-free transformer by training on Imagenet only. We train them on a single computer in less than 3 days. Our reference vision transformer (86M parameters) achieves top-1 accuracy of 83.1% (single-crop evaluation) on ImageNet with no external data. More importantly, we introduce a teacher-student strategy specific to transformers. It relies on a distillation token ensuring that the student learns from the teacher through attention. We show the interest of this token-based distillation, especially when using a convnet as a teacher. This leads us to report results competitive with convnets for both Imagenet (where we obtain up to 85.2% accuracy) and when transferring to other tasks. We share our code and models.

Memory-based neural networks model temporal data by leveraging an ability to remember information for long periods. It is unclear, however, whether they also have an ability to perform complex relational reasoning with the information they remember. Here, we first confirm our intuitions that standard memory architectures may struggle at tasks that heavily involve an understanding of the ways in which entities are connected -- i.e., tasks involving relational reasoning. We then improve upon these deficits by using a new memory module -- a Relational Memory Core (RMC) -- which employs multi-head dot product attention to allow memories to interact. Finally, we test the RMC on a suite of tasks that may profit from more capable relational reasoning across sequential information, and show large gains in RL domains (e.g. Mini PacMan), program evaluation, and language modeling, achieving state-of-the-art results on the WikiText-103, Project Gutenberg, and GigaWord datasets.

Doubly-stochastic matrices (DSM) are increasingly utilized in structure-preserving deep architectures -- such as Optimal Transport layers and Sinkhorn-based attention -- to enforce numerical stability and probabilistic interpretability. In this work, we identify a critical spectral degradation phenomenon inherent to these constraints, termed the Homogeneity Trap. We demonstrate that the maximum-entropy bias, typical of Sinkhorn-based projections, drives the mixing operator towards the uniform barycenter, thereby suppressing the subdominant singular value σ_2 and filtering out high-frequency feature components. We derive a spectral bound linking σ_2 to the network's effective depth, showing that high-entropy constraints restrict feature transformation to a shallow effective receptive field. Furthermore, we formally demonstrate that Layer Normalization fails to mitigate this collapse in noise-dominated regimes; specifically, when spectral filtering degrades the Signal-to-Noise Ratio (SNR) below a critical threshold, geometric structure is irreversibly lost to noise-induced orthogonal collapse. Our findings highlight a fundamental trade-off between entropic stability and spectral expressivity in DSM-constrained networks.

Chronic Low Back Pain (CLBP) afflicts millions globally, significantly impacting individuals' well-being and imposing economic burdens on healthcare systems. While artificial intelligence (AI) and deep learning offer promising avenues for analyzing pain-related behaviors to improve rehabilitation strategies, current models, including convolutional neural networks (CNNs), recurrent neural networks, and graph-based neural networks, have limitations. These approaches often focus singularly on the temporal dimension or require complex architectures to exploit spatial interrelationships within multivariate time series data. To address these limitations, we introduce L-SFAN, a lightweight CNN architecture incorporating 2D filters designed to meticulously capture the spatial-temporal interplay of data from motion capture and surface electromyography sensors. Our proposed model, enhanced with an oriented global pooling layer and multi-head self-attention mechanism, prioritizes critical features to better understand CLBP and achieves competitive classification accuracy. Experimental results on the EmoPain database demonstrate that our approach not only enhances performance metrics with significantly fewer parameters but also promotes model interpretability, offering valuable insights for clinicians in managing CLBP. This advancement underscores the potential of AI in transforming healthcare practices for chronic conditions like CLBP, providing a sophisticated framework for the nuanced analysis of complex biomedical data.

Recently, neural networks based purely on self-attention, such as the Vision Transformer (ViT), have been shown to outperform deep learning models constructed with convolutional neural networks (CNNs) on various vision tasks, thus extending the success of Transformers, which were originally developed for language processing, to the vision domain. A recent study showed that a similar methodology can also be applied to the audio domain. Specifically, the Audio Spectrogram Transformer (AST) achieves state-of-the-art results on various audio classification benchmarks. However, pure Transformer models tend to require more training data compared to CNNs, and the success of the AST relies on supervised pretraining that requires a large amount of labeled data and a complex training pipeline, thus limiting the practical usage of AST. This paper focuses on audio and speech classification, and aims to reduce the need for large amounts of labeled data for AST by leveraging self-supervised learning using unlabeled data. Specifically, we propose to pretrain the AST model with joint discriminative and generative masked spectrogram patch modeling (MSPM) using unlabeled audio from AudioSet and Librispeech. We evaluate our pretrained models on both audio and speech classification tasks including audio event classification, keyword spotting, emotion recognition, and speaker identification. The proposed self-supervised framework significantly boosts AST performance on all tasks, with an average improvement of 60.9%, leading to similar or even better results than a supervised pretrained AST. To the best of our knowledge, it is the first patch-based self-supervised learning framework in the audio and speech domain, and also the first self-supervised learning framework for AST.

What is the relationship between model architecture and the ability to perform in-context learning? In this empirical study, we take the first steps toward answering this question. We evaluate twelve model architectures capable of causal language modeling across a suite of synthetic in-context learning tasks. These selected architectures represent a broad range of paradigms, including recurrent and convolution-based neural networks, transformers, state-space model inspired, and other emerging attention alternatives. We discover that all the considered architectures can perform in-context learning under a wider range of conditions than previously documented. Additionally, we observe stark differences in statistical efficiency and consistency by varying context length and task difficulty. We also measure each architecture's predisposition towards in-context learning when presented with alternative routes for task resolution. Finally, and somewhat surprisingly, we find that several attention alternatives are more robust in-context learners than transformers. Given that such approaches have constant-sized memory footprints at inference time, this result opens the possibility of scaling up in-context learning to accommodate vastly larger numbers of in-context examples.

In the past decade, convolutional neural networks (CNNs) have been widely adopted as the main building block for end-to-end audio classification models, which aim to learn a direct mapping from audio spectrograms to corresponding labels. To better capture long-range global context, a recent trend is to add a self-attention mechanism on top of the CNN, forming a CNN-attention hybrid model. However, it is unclear whether the reliance on a CNN is necessary, and if neural networks purely based on attention are sufficient to obtain good performance in audio classification. In this paper, we answer the question by introducing the Audio Spectrogram Transformer (AST), the first convolution-free, purely attention-based model for audio classification. We evaluate AST on various audio classification benchmarks, where it achieves new state-of-the-art results of 0.485 mAP on AudioSet, 95.6% accuracy on ESC-50, and 98.1% accuracy on Speech Commands V2.

Attention mechanism, especially channel attention, has gained great success in the computer vision field. Many works focus on how to design efficient channel attention mechanisms while ignoring a fundamental problem, i.e., channel attention mechanism uses scalar to represent channel, which is difficult due to massive information loss. In this work, we start from a different view and regard the channel representation problem as a compression process using frequency analysis. Based on the frequency analysis, we mathematically prove that the conventional global average pooling is a special case of the feature decomposition in the frequency domain. With the proof, we naturally generalize the compression of the channel attention mechanism in the frequency domain and propose our method with multi-spectral channel attention, termed as FcaNet. FcaNet is simple but effective. We can change a few lines of code in the calculation to implement our method within existing channel attention methods. Moreover, the proposed method achieves state-of-the-art results compared with other channel attention methods on image classification, object detection, and instance segmentation tasks. Our method could consistently outperform the baseline SENet, with the same number of parameters and the same computational cost. Our code and models will are publicly available at https://github.com/cfzd/FcaNet.

We present graph attention networks (GATs), novel neural network architectures that operate on graph-structured data, leveraging masked self-attentional layers to address the shortcomings of prior methods based on graph convolutions or their approximations. By stacking layers in which nodes are able to attend over their neighborhoods' features, we enable (implicitly) specifying different weights to different nodes in a neighborhood, without requiring any kind of costly matrix operation (such as inversion) or depending on knowing the graph structure upfront. In this way, we address several key challenges of spectral-based graph neural networks simultaneously, and make our model readily applicable to inductive as well as transductive problems. Our GAT models have achieved or matched state-of-the-art results across four established transductive and inductive graph benchmarks: the Cora, Citeseer and Pubmed citation network datasets, as well as a protein-protein interaction dataset (wherein test graphs remain unseen during training).

Essay writing is a critical component of student assessment, yet manual scoring is labor-intensive and inconsistent. Automated Essay Scoring (AES) offers a promising alternative, but current approaches face limitations. Recent studies have incorporated Graph Neural Networks (GNNs) into AES using static word embeddings that fail to capture contextual meaning, especially for polysemous words. Additionally, many methods rely on holistic scoring, overlooking specific writing aspects such as grammar, vocabulary, and cohesion. To address these challenges, this study proposes TransGAT, a novel approach that integrates fine-tuned Transformer models with GNNs for analytic scoring. TransGAT combines the contextual understanding of Transformers with the relational modeling strength of Graph Attention Networks (GAT). It performs two-stream predictions by pairing each fine-tuned Transformer (BERT, RoBERTa, and DeBERTaV3) with a separate GAT. In each pair, the first stream generates essay-level predictions, while the second applies GAT to Transformer token embeddings, with edges constructed from syntactic dependencies. The model then fuses predictions from both streams to produce the final analytic score. Experiments on the ELLIPSE dataset show that TransGAT outperforms baseline models, achieving an average Quadratic Weighted Kappa (QWK) of 0.854 across all analytic scoring dimensions. These findings highlight the potential of TransGAT to advance AES systems.

Traditionally, convolutional neural networks (CNN) and vision transformers (ViT) have dominated computer vision. However, recently proposed vision graph neural networks (ViG) provide a new avenue for exploration. Unfortunately, for mobile applications, ViGs are computationally expensive due to the overhead of representing images as graph structures. In this work, we propose a new graph-based sparse attention mechanism, Sparse Vision Graph Attention (SVGA), that is designed for ViGs running on mobile devices. Additionally, we propose the first hybrid CNN-GNN architecture for vision tasks on mobile devices, MobileViG, which uses SVGA. Extensive experiments show that MobileViG beats existing ViG models and existing mobile CNN and ViT architectures in terms of accuracy and/or speed on image classification, object detection, and instance segmentation tasks. Our fastest model, MobileViG-Ti, achieves 75.7% top-1 accuracy on ImageNet-1K with 0.78 ms inference latency on iPhone 13 Mini NPU (compiled with CoreML), which is faster than MobileNetV2x1.4 (1.02 ms, 74.7% top-1) and MobileNetV2x1.0 (0.81 ms, 71.8% top-1). Our largest model, MobileViG-B obtains 82.6% top-1 accuracy with only 2.30 ms latency, which is faster and more accurate than the similarly sized EfficientFormer-L3 model (2.77 ms, 82.4%). Our work proves that well designed hybrid CNN-GNN architectures can be a new avenue of exploration for designing models that are extremely fast and accurate on mobile devices. Our code is publicly available at https://github.com/SLDGroup/MobileViG.

In community-based question answering (CQA) platforms, automatic answer ranking for a given question is critical for finding potentially popular answers in early times. The mainstream approaches learn to generate answer ranking scores based on the matching degree between question and answer representations as well as the influence of respondents. However, they encounter two main limitations: (1) Correlations between answers in the same question are often overlooked. (2) Question and respondent representations are built independently of specific answers before affecting answer representations. To address the limitations, we devise a novel graph-based tri-attention network, namely GTAN, which has two innovations. First, GTAN proposes to construct a graph for each question and learn answer correlations from each graph through graph neural networks (GNNs). Second, based on the representations learned from GNNs, an alternating tri-attention method is developed to alternatively build target-aware respondent representations, answer-specific question representations, and context-aware answer representations by attention computation. GTAN finally integrates the above representations to generate answer ranking scores. Experiments on three real-world CQA datasets demonstrate GTAN significantly outperforms state-of-the-art answer ranking methods, validating the rationality of the network architecture.

Early rumor detection (ERD) on social media platform is very challenging when limited, incomplete and noisy information is available. Most of the existing methods have largely worked on event-level detection that requires the collection of posts relevant to a specific event and relied only on user-generated content. They are not appropriate to detect rumor sources in the very early stages, before an event unfolds and becomes widespread. In this paper, we address the task of ERD at the message level. We present a novel hybrid neural network architecture, which combines a task-specific character-based bidirectional language model and stacked Long Short-Term Memory (LSTM) networks to represent textual contents and social-temporal contexts of input source tweets, for modelling propagation patterns of rumors in the early stages of their development. We apply multi-layered attention models to jointly learn attentive context embeddings over multiple context inputs. Our experiments employ a stringent leave-one-out cross-validation (LOO-CV) evaluation setup on seven publicly available real-life rumor event data sets. Our models achieve state-of-the-art(SoA) performance for detecting unseen rumors on large augmented data which covers more than 12 events and 2,967 rumors. An ablation study is conducted to understand the relative contribution of each component of our proposed model.

In this paper, we propose two modified neural networks based on dual path multi-scale fusion networks (SFANet) and SegNet for accurate and efficient crowd counting. Inspired by SFANet, the first model, which is named M-SFANet, is attached with atrous spatial pyramid pooling (ASPP) and context-aware module (CAN). The encoder of M-SFANet is enhanced with ASPP containing parallel atrous convolutional layers with different sampling rates and hence able to extract multi-scale features of the target object and incorporate larger context. To further deal with scale variation throughout an input image, we leverage the CAN module which adaptively encodes the scales of the contextual information. The combination yields an effective model for counting in both dense and sparse crowd scenes. Based on the SFANet decoder structure, M-SFANet's decoder has dual paths, for density map and attention map generation. The second model is called M-SegNet, which is produced by replacing the bilinear upsampling in SFANet with max unpooling that is used in SegNet. This change provides a faster model while providing competitive counting performance. Designed for high-speed surveillance applications, M-SegNet has no additional multi-scale-aware module in order to not increase the complexity. Both models are encoder-decoder based architectures and are end-to-end trainable. We conduct extensive experiments on five crowd counting datasets and one vehicle counting dataset to show that these modifications yield algorithms that could improve state-of-the-art crowd counting methods. Codes are available at https://github.com/Pongpisit-Thanasutives/Variations-of-SFANet-for-Crowd-Counting.

Kolmogorov-Arnold Networks (KANs) have inspired numerous works exploring their applications across a wide range of scientific problems, with the potential to replace Multilayer Perceptrons (MLPs). While many KANs are designed using basis and polynomial functions, such as B-splines, ReLU-KAN utilizes a combination of ReLU functions to mimic the structure of B-splines and take advantage of ReLU's speed. However, ReLU-KAN is not built for multiple inputs, and its limitations stem from ReLU's handling of negative values, which can restrict feature extraction. To address these issues, we introduce Activation Function-Based Kolmogorov-Arnold Networks (AF-KAN), expanding ReLU-KAN with various activations and their function combinations. This novel KAN also incorporates parameter reduction methods, primarily attention mechanisms and data normalization, to enhance performance on image classification datasets. We explore different activation functions, function combinations, grid sizes, and spline orders to validate the effectiveness of AF-KAN and determine its optimal configuration. In the experiments, AF-KAN significantly outperforms MLP, ReLU-KAN, and other KANs with the same parameter count. It also remains competitive even when using fewer than 6 to 10 times the parameters while maintaining the same network structure. However, AF-KAN requires a longer training time and consumes more FLOPs. The repository for this work is available at https://github.com/hoangthangta/All-KAN.

Discovering novel drug candidate molecules is one of the most fundamental and critical steps in drug development. Generative deep learning models, which create synthetic data given a probability distribution, offer a high potential for designing de novo molecules. However, to be utilisable in real life drug development pipelines, these models should be able to design drug like and target centric molecules. In this study, we propose an end to end generative system, DrugGEN, for the de novo design of drug candidate molecules that interact with intended target proteins. The proposed method represents molecules as graphs and processes them via a generative adversarial network comprising graph transformer layers. The system is trained using a large dataset of drug like compounds and target specific bioactive molecules to design effective inhibitory molecules against the AKT1 protein, which is critically important in developing treatments for various types of cancer. We conducted molecular docking and dynamics to assess the target centric generation performance of the model, as well as attention score visualisation to examine model interpretability. In parallel, selected compounds were chemically synthesised and evaluated in the context of in vitro enzymatic assays, which identified two bioactive molecules that inhibited AKT1 at low micromolar concentrations. These results indicate that DrugGEN's de novo molecules have a high potential for interacting with the AKT1 protein at the level of its native ligands. Using the open access DrugGEN codebase, it is possible to easily train models for other druggable proteins, given a dataset of experimentally known bioactive molecules.

We explore different ways to utilize position-based cross-attention in seq2seq networks to enable length generalization in algorithmic tasks. We show that a simple approach of interpolating the original and reversed encoded representations combined with relative attention allows near-perfect length generalization for both forward and reverse lookup tasks or copy tasks that had been generally hard to tackle. We also devise harder diagnostic tasks where the relative distance of the ideal attention position varies with timestep. In such settings, the simple interpolation trick with relative attention is not sufficient. We introduce novel variants of location attention building on top of Dubois et al. (2020) to address the new diagnostic tasks. We also show the benefits of our approaches for length generalization in SCAN (Lake & Baroni, 2018) and CFQ (Keysers et al., 2020). Our code is available on GitHub.

Human action recognition (HAR) plays a key role in various applications such as video analysis, surveillance, autonomous driving, robotics, and healthcare. Most HAR algorithms are developed from RGB images, which capture detailed visual information. However, these algorithms raise concerns in privacy-sensitive environments due to the recording of identifiable features. Event cameras offer a promising solution by capturing scene brightness changes sparsely at the pixel level, without capturing full images. Moreover, event cameras have high dynamic ranges that can effectively handle scenarios with complex lighting conditions, such as low light or high contrast environments. However, using event cameras introduces challenges in modeling the spatially sparse and high temporal resolution event data for HAR. To address these issues, we propose the SpikMamba framework, which combines the energy efficiency of spiking neural networks and the long sequence modeling capability of Mamba to efficiently capture global features from spatially sparse and high a temporal resolution event data. Additionally, to improve the locality of modeling, a spiking window-based linear attention mechanism is used. Extensive experiments show that SpikMamba achieves remarkable recognition performance, surpassing the previous state-of-the-art by 1.45%, 7.22%, 0.15%, and 3.92% on the PAF, HARDVS, DVS128, and E-FAction datasets, respectively. The code is available at https://github.com/Typistchen/SpikMamba.

Feature selection is the problem of selecting a subset of features for a machine learning model that maximizes model quality subject to a budget constraint. For neural networks, prior methods, including those based on ell_1 regularization, attention, and other techniques, typically select the entire feature subset in one evaluation round, ignoring the residual value of features during selection, i.e., the marginal contribution of a feature given that other features have already been selected. We propose a feature selection algorithm called Sequential Attention that achieves state-of-the-art empirical results for neural networks. This algorithm is based on an efficient one-pass implementation of greedy forward selection and uses attention weights at each step as a proxy for feature importance. We give theoretical insights into our algorithm for linear regression by showing that an adaptation to this setting is equivalent to the classical Orthogonal Matching Pursuit (OMP) algorithm, and thus inherits all of its provable guarantees. Our theoretical and empirical analyses offer new explanations towards the effectiveness of attention and its connections to overparameterization, which may be of independent interest.

This paper introduces SuperGlue, a neural network that matches two sets of local features by jointly finding correspondences and rejecting non-matchable points. Assignments are estimated by solving a differentiable optimal transport problem, whose costs are predicted by a graph neural network. We introduce a flexible context aggregation mechanism based on attention, enabling SuperGlue to reason about the underlying 3D scene and feature assignments jointly. Compared to traditional, hand-designed heuristics, our technique learns priors over geometric transformations and regularities of the 3D world through end-to-end training from image pairs. SuperGlue outperforms other learned approaches and achieves state-of-the-art results on the task of pose estimation in challenging real-world indoor and outdoor environments. The proposed method performs matching in real-time on a modern GPU and can be readily integrated into modern SfM or SLAM systems. The code and trained weights are publicly available at https://github.com/magicleap/SuperGluePretrainedNetwork.

Recent transformer-based architectures have shown impressive results in the field of image segmentation. Thanks to their flexibility, they obtain outstanding performance in multiple segmentation tasks, such as semantic and panoptic, under a single unified framework. To achieve such impressive performance, these architectures employ intensive operations and require substantial computational resources, which are often not available, especially on edge devices. To fill this gap, we propose Prototype-based Efficient MaskFormer (PEM), an efficient transformer-based architecture that can operate in multiple segmentation tasks. PEM proposes a novel prototype-based cross-attention which leverages the redundancy of visual features to restrict the computation and improve the efficiency without harming the performance. In addition, PEM introduces an efficient multi-scale feature pyramid network, capable of extracting features that have high semantic content in an efficient way, thanks to the combination of deformable convolutions and context-based self-modulation. We benchmark the proposed PEM architecture on two tasks, semantic and panoptic segmentation, evaluated on two different datasets, Cityscapes and ADE20K. PEM demonstrates outstanding performance on every task and dataset, outperforming task-specific architectures while being comparable and even better than computationally-expensive baselines.

Solving complex Partial Differential Equations (PDEs) accurately and efficiently is an essential and challenging problem in all scientific and engineering disciplines. Mesh movement methods provide the capability to improve the accuracy of the numerical solution without increasing the overall mesh degree of freedom count. Conventional sophisticated mesh movement methods are extremely expensive and struggle to handle scenarios with complex boundary geometries. However, existing learning-based methods require re-training from scratch given a different PDE type or boundary geometry, which limits their applicability, and also often suffer from robustness issues in the form of inverted elements. In this paper, we introduce the Universal Mesh Movement Network (UM2N), which -- once trained -- can be applied in a non-intrusive, zero-shot manner to move meshes with different size distributions and structures, for solvers applicable to different PDE types and boundary geometries. UM2N consists of a Graph Transformer (GT) encoder for extracting features and a Graph Attention Network (GAT) based decoder for moving the mesh. We evaluate our method on advection and Navier-Stokes based examples, as well as a real-world tsunami simulation case. Our method outperforms existing learning-based mesh movement methods in terms of the benchmarks described above. In comparison to the conventional sophisticated Monge-Amp\`ere PDE-solver based method, our approach not only significantly accelerates mesh movement, but also proves effective in scenarios where the conventional method fails. Our project page is at https://erizmr.github.io/UM2N/.

The use of deep neural models for diagnosis prediction from clinical text has shown promising results. However, in clinical practice such models must not only be accurate, but provide doctors with interpretable and helpful results. We introduce ProtoPatient, a novel method based on prototypical networks and label-wise attention with both of these abilities. ProtoPatient makes predictions based on parts of the text that are similar to prototypical patients - providing justifications that doctors understand. We evaluate the model on two publicly available clinical datasets and show that it outperforms existing baselines. Quantitative and qualitative evaluations with medical doctors further demonstrate that the model provides valuable explanations for clinical decision support.

Spiking Neural Networks (SNNs) based on Transformers have garnered significant attention due to their superior performance and high energy efficiency. However, the spiking attention modules of most existing Transformer-based SNNs are adapted from those of analog Transformers, failing to fully address the issue of over-allocating attention to irrelevant contexts. To fix this fundamental yet overlooked issue, we propose a Lateral Inhibition-inspired Spiking Transformer (SpiLiFormer). It emulates the brain's lateral inhibition mechanism, guiding the model to enhance attention to relevant tokens while suppressing attention to irrelevant ones. Our model achieves state-of-the-art (SOTA) performance across multiple datasets, including CIFAR-10 (+0.45%), CIFAR-100 (+0.48%), CIFAR10-DVS (+2.70%), N-Caltech101 (+1.94%), and ImageNet-1K (+1.6%). Notably, on the ImageNet-1K dataset, SpiLiFormer (69.9M parameters, 4 time steps, 384 resolution) outperforms E-SpikeFormer (173.0M parameters, 8 time steps, 384 resolution), a SOTA spiking Transformer, by 0.46% using only 39% of the parameters and half the time steps. The code and model checkpoints are publicly available at https://github.com/KirinZheng/SpiLiFormer.

In this paper we present our approach to tackle the Implicit Emotion Shared Task (IEST) organized as part of WASSA 2018 at EMNLP 2018. Given a tweet, from which a certain word has been removed, we are asked to predict the emotion of the missing word. In this work, we experiment with neural Transfer Learning (TL) methods. Our models are based on LSTM networks, augmented with a self-attention mechanism. We use the weights of various pretrained models, for initializing specific layers of our networks. We leverage a big collection of unlabeled Twitter messages, for pretraining word2vec word embeddings and a set of diverse language models. Moreover, we utilize a sentiment analysis dataset for pretraining a model, which encodes emotion related information. The submitted model consists of an ensemble of the aforementioned TL models. Our team ranked 3rd out of 30 participants, achieving an F1 score of 0.703.

Alternatives to recurrent neural networks, in particular, architectures based on attention or convolutions, have been gaining momentum for processing input sequences. In spite of their relevance, the computational properties of these alternatives have not yet been fully explored. We study the computational power of two of the most paradigmatic architectures exemplifying these mechanisms: the Transformer (Vaswani et al., 2017) and the Neural GPU (Kaiser & Sutskever, 2016). We show both models to be Turing complete exclusively based on their capacity to compute and access internal dense representations of the data. In particular, neither the Transformer nor the Neural GPU requires access to an external memory to become Turing complete. Our study also reveals some minimal sets of elements needed to obtain these completeness results.

Vision Transformers (ViT) have shown rapid progress in computer vision tasks, achieving promising results on various benchmarks. However, due to the massive number of parameters and model design, e.g., attention mechanism, ViT-based models are generally times slower than lightweight convolutional networks. Therefore, the deployment of ViT for real-time applications is particularly challenging, especially on resource-constrained hardware such as mobile devices. Recent efforts try to reduce the computation complexity of ViT through network architecture search or hybrid design with MobileNet block, yet the inference speed is still unsatisfactory. This leads to an important question: can transformers run as fast as MobileNet while obtaining high performance? To answer this, we first revisit the network architecture and operators used in ViT-based models and identify inefficient designs. Then we introduce a dimension-consistent pure transformer (without MobileNet blocks) as a design paradigm. Finally, we perform latency-driven slimming to get a series of final models dubbed EfficientFormer. Extensive experiments show the superiority of EfficientFormer in performance and speed on mobile devices. Our fastest model, EfficientFormer-L1, achieves 79.2% top-1 accuracy on ImageNet-1K with only 1.6 ms inference latency on iPhone 12 (compiled with CoreML), which runs as fast as MobileNetV2times 1.4 (1.6 ms, 74.7% top-1), and our largest model, EfficientFormer-L7, obtains 83.3% accuracy with only 7.0 ms latency. Our work proves that properly designed transformers can reach extremely low latency on mobile devices while maintaining high performance.

Skeleton-based action recognition task is entangled with complex spatio-temporal variations of skeleton joints, and remains challenging for Recurrent Neural Networks (RNNs). In this work, we propose a temporal-then-spatial recalibration scheme to alleviate such complex variations, resulting in an end-to-end Memory Attention Networks (MANs) which consist of a Temporal Attention Recalibration Module (TARM) and a Spatio-Temporal Convolution Module (STCM). Specifically, the TARM is deployed in a residual learning module that employs a novel attention learning network to recalibrate the temporal attention of frames in a skeleton sequence. The STCM treats the attention calibrated skeleton joint sequences as images and leverages the Convolution Neural Networks (CNNs) to further model the spatial and temporal information of skeleton data. These two modules (TARM and STCM) seamlessly form a single network architecture that can be trained in an end-to-end fashion. MANs significantly boost the performance of skeleton-based action recognition and achieve the best results on four challenging benchmark datasets: NTU RGB+D, HDM05, SYSU-3D and UT-Kinect.

Non-contact video-based physiological measurement has many applications in health care and human-computer interaction. Practical applications require measurements to be accurate even in the presence of large head rotations. We propose the first end-to-end system for video-based measurement of heart and breathing rate using a deep convolutional network. The system features a new motion representation based on a skin reflection model and a new attention mechanism using appearance information to guide motion estimation, both of which enable robust measurement under heterogeneous lighting and major motions. Our approach significantly outperforms all current state-of-the-art methods on both RGB and infrared video datasets. Furthermore, it allows spatial-temporal distributions of physiological signals to be visualized via the attention mechanism.

This paper describes a novel text-to-speech (TTS) technique based on deep convolutional neural networks (CNN), without use of any recurrent units. Recurrent neural networks (RNN) have become a standard technique to model sequential data recently, and this technique has been used in some cutting-edge neural TTS techniques. However, training RNN components often requires a very powerful computer, or a very long time, typically several days or weeks. Recent other studies, on the other hand, have shown that CNN-based sequence synthesis can be much faster than RNN-based techniques, because of high parallelizability. The objective of this paper is to show that an alternative neural TTS based only on CNN alleviate these economic costs of training. In our experiment, the proposed Deep Convolutional TTS was sufficiently trained overnight (15 hours), using an ordinary gaming PC equipped with two GPUs, while the quality of the synthesized speech was almost acceptable.

As the Chinese stock market continues to evolve and its market structure grows increasingly complex, traditional quantitative trading methods are facing escalating challenges. Particularly, due to policy uncertainty and the frequent market fluctuations triggered by sudden economic events, existing models often struggle to accurately predict market dynamics. To address these challenges, this paper introduces Stockformer, a price-volume factor stock selection model that integrates wavelet transformation and a multitask self-attention network, aimed at enhancing responsiveness and predictive accuracy regarding market instabilities. Through discrete wavelet transform, Stockformer decomposes stock returns into high and low frequencies, meticulously capturing long-term market trends and short-term fluctuations, including abrupt events. Moreover, the model incorporates a Dual-Frequency Spatiotemporal Encoder and graph embedding techniques to effectively capture complex temporal and spatial relationships among stocks. Employing a multitask learning strategy, it simultaneously predicts stock returns and directional trends. Experimental results show that Stockformer outperforms existing advanced methods on multiple real stock market datasets. In strategy backtesting, Stockformer consistently demonstrates exceptional stability and reliability across market conditions-whether rising, falling, or fluctuating-particularly maintaining high performance during downturns or volatile periods, indicating a high adaptability to market fluctuations. To foster innovation and collaboration in the financial analysis sector, the Stockformer model's code has been open-sourced and is available on the GitHub repository: https://github.com/Eric991005/Multitask-Stockformer.