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arXiv2022

Outpainting by Queries

Image outpainting, which is well studied with Convolution Neural Network (CNN) based framework, has recently drawn more attention in computer vision. However, CNNs rely on inherent inductive biases to achieve effective sample learning, which may degrade the performance ceiling. In this paper, motivated by the flexible self-attention mechanism with minimal inductive biases in transformer architecture, we reframe the generalised image outpainting problem as a patch-wise sequence-to-sequence autoregression problem, enabling query-based image outpainting. Specifically, we propose a novel hybrid vision-transformer-based encoder-decoder framework, named \textbf{Query} \textbf{O}utpainting \textbf{TR}ansformer (\textbf{QueryOTR}), for extrapolating visual context all-side around a given image. Patch-wise mode's global modeling capacity allows us to extrapolate images from the attention mechanism's query standpoint. A novel Query Expansion Module (QEM) is designed to integrate information from the predicted queries based on the encoder's output, hence accelerating the convergence of the pure transformer even with a relatively small dataset. To further enhance connectivity between each patch, the proposed Patch Smoothing Module (PSM) re-allocates and averages the overlapped regions, thus providing seamless predicted images. We experimentally show that QueryOTR could generate visually appealing results smoothly and realistically against the state-of-the-art image outpainting approaches.

cs.CV↗

arXiv2022

A Novel Transformer Network with Shifted Window Cross-Attention for Spatiotemporal Weather Forecasting

Earth Observatory is a growing research area that can capitalize on the powers of AI for short time forecasting, a Now-casting scenario. In this work, we tackle the challenge of weather forecasting using a video transformer network. Vision transformer architectures have been explored in various applications, with major constraints being the computational complexity of Attention and the data hungry training. To address these issues, we propose the use of Video Swin-Transformer, coupled with a dedicated augmentation scheme. Moreover, we employ gradual spatial reduction on the encoder side and cross-attention on the decoder. The proposed approach is tested on the Weather4Cast2021 weather forecasting challenge data, which requires the prediction of 8 hours ahead future frames (4 per hour) from an hourly weather product sequence. The dataset was normalized to 0-1 to facilitate using the evaluation metrics across different datasets. The model results in an MSE score of 0.4750 when provided with training data, and 0.4420 during transfer learning without using training data, respectively.

cs.CV↗

arXiv2023

Transformers and Large Language Models for Chemistry and Drug Discovery

Language modeling has seen impressive progress over the last years, mainly prompted by the invention of the Transformer architecture, sparking a revolution in many fields of machine learning, with breakthroughs in chemistry and biology. In this chapter, we explore how analogies between chemical and natural language have inspired the use of Transformers to tackle important bottlenecks in the drug discovery process, such as retrosynthetic planning and chemical space exploration. The revolution started with models able to perform particular tasks with a single type of data, like linearised molecular graphs, which then evolved to include other types of data, like spectra from analytical instruments, synthesis actions, and human language. A new trend leverages recent developments in large language models, giving rise to a wave of models capable of solving generic tasks in chemistry, all facilitated by the flexibility of natural language. As we continue to explore and harness these capabilities, we can look forward to a future where machine learning plays an even more integral role in accelerating scientific discovery.

cs.LG↗

arXiv2024

ODIN: A Single Model for 2D and 3D Segmentation

State-of-the-art models on contemporary 3D segmentation benchmarks like ScanNet consume and label dataset-provided 3D point clouds, obtained through post processing of sensed multiview RGB-D images. They are typically trained in-domain, forego large-scale 2D pre-training and outperform alternatives that featurize the posed RGB-D multiview images instead. The gap in performance between methods that consume posed images versus post-processed 3D point clouds has fueled the belief that 2D and 3D perception require distinct model architectures. In this paper, we challenge this view and propose ODIN (Omni-Dimensional INstance segmentation), a model that can segment and label both 2D RGB images and 3D point clouds, using a transformer architecture that alternates between 2D within-view and 3D cross-view information fusion. Our model differentiates 2D and 3D feature operations through the positional encodings of the tokens involved, which capture pixel coordinates for 2D patch tokens and 3D coordinates for 3D feature tokens. ODIN achieves state-of-the-art performance on ScanNet200, Matterport3D and AI2THOR 3D instance segmentation benchmarks, and competitive performance on ScanNet, S3DIS and COCO. It outperforms all previous works by a wide margin when the sensed 3D point cloud is used in place of the point cloud sampled from 3D mesh. When used as the 3D perception engine in an instructable embodied agent architecture, it sets a new state-of-the-art on the TEACh action-from-dialogue benchmark. Our code and checkpoints can be found at the project website (https://odin-seg.github.io).

cs.CV↗

arXiv2024

DiffSpeaker: Speech-Driven 3D Facial Animation with Diffusion Transformer

Speech-driven 3D facial animation is important for many multimedia applications. Recent work has shown promise in using either Diffusion models or Transformer architectures for this task. However, their mere aggregation does not lead to improved performance. We suspect this is due to a shortage of paired audio-4D data, which is crucial for the Transformer to effectively perform as a denoiser within the Diffusion framework. To tackle this issue, we present DiffSpeaker, a Transformer-based network equipped with novel biased conditional attention modules. These modules serve as substitutes for the traditional self/cross-attention in standard Transformers, incorporating thoughtfully designed biases that steer the attention mechanisms to concentrate on both the relevant task-specific and diffusion-related conditions. We also explore the trade-off between accurate lip synchronization and non-verbal facial expressions within the Diffusion paradigm. Experiments show our model not only achieves state-of-the-art performance on existing benchmarks, but also fast inference speed owing to its ability to generate facial motions in parallel.

cs.CV↗

arXiv2024

Inverse Design of Photonic Crystal Surface Emitting Lasers is a Sequence Modeling Problem

Photonic Crystal Surface Emitting Lasers (PCSEL)'s inverse design demands expert knowledge in physics, materials science, and quantum mechanics which is prohibitively labor-intensive. Advanced AI technologies, especially reinforcement learning (RL), have emerged as a powerful tool to augment and accelerate this inverse design process. By modeling the inverse design of PCSEL as a sequential decision-making problem, RL approaches can construct a satisfactory PCSEL structure from scratch. However, the data inefficiency resulting from online interactions with precise and expensive simulation environments impedes the broader applicability of RL approaches. Recently, sequential models, especially the Transformer architecture, have exhibited compelling performance in sequential decision-making problems due to their simplicity and scalability to large language models. In this paper, we introduce a novel framework named PCSEL Inverse Design Transformer (PiT) that abstracts the inverse design of PCSEL as a sequence modeling problem. The central part of our PiT is a Transformer-based structure that leverages the past trajectories and current states to predict the current actions. Compared with the traditional RL approaches, PiT can output the optimal actions and achieve target PCSEL designs by leveraging offline data and conditioning on the desired return. Results demonstrate that PiT achieves superior performance and data efficiency compared to baselines.

physics.app-ph↗

arXiv2024

Understanding Robustness of Visual State Space Models for Image Classification

Visual State Space Model (VMamba) has recently emerged as a promising architecture, exhibiting remarkable performance in various computer vision tasks. However, its robustness has not yet been thoroughly studied. In this paper, we delve into the robustness of this architecture through comprehensive investigations from multiple perspectives. Firstly, we investigate its robustness to adversarial attacks, employing both whole-image and patch-specific adversarial attacks. Results demonstrate superior adversarial robustness compared to Transformer architectures while revealing scalability weaknesses. Secondly, the general robustness of VMamba is assessed against diverse scenarios, including natural adversarial examples, out-of-distribution data, and common corruptions. VMamba exhibits exceptional generalizability with out-of-distribution data but shows scalability weaknesses against natural adversarial examples and common corruptions. Additionally, we explore VMamba's gradients and back-propagation during white-box attacks, uncovering unique vulnerabilities and defensive capabilities of its novel components. Lastly, the sensitivity of VMamba to image structure variations is examined, highlighting vulnerabilities associated with the distribution of disturbance areas and spatial information, with increased susceptibility closer to the image center. Through these comprehensive studies, we contribute to a deeper understanding of VMamba's robustness, providing valuable insights for refining and advancing the capabilities of deep neural networks in computer vision applications.

cs.CV↗

arXiv2024

A Comprehensive Survey on Evaluating Large Language Model Applications in the Medical Industry

Since the inception of the Transformer architecture in 2017, Large Language Models (LLMs) such as GPT and BERT have evolved significantly, impacting various industries with their advanced capabilities in language understanding and generation. These models have shown potential to transform the medical field, highlighting the necessity for specialized evaluation frameworks to ensure their effective and ethical deployment. This comprehensive survey delineates the extensive application and requisite evaluation of LLMs within healthcare, emphasizing the critical need for empirical validation to fully exploit their capabilities in enhancing healthcare outcomes. Our survey is structured to provide an in-depth analysis of LLM applications across clinical settings, medical text data processing, research, education, and public health awareness. We begin by exploring the roles of LLMs in various medical applications, detailing their evaluation based on performance in tasks such as clinical diagnosis, medical text data processing, information retrieval, data analysis, and educational content generation. The subsequent sections offer a comprehensive discussion on the evaluation methods and metrics employed, including models, evaluators, and comparative experiments. We further examine the benchmarks and datasets utilized in these evaluations, providing a categorized description of benchmarks for tasks like question answering, summarization, information extraction, bioinformatics, information retrieval and general comprehensive benchmarks. This structure ensures a thorough understanding of how LLMs are assessed for their effectiveness, accuracy, usability, and ethical alignment in the medical domain. ...

cs.CL↗

arXiv2024

Multi-Layer Transformers Gradient Can be Approximated in Almost Linear Time

The computational complexity of the self-attention mechanism in popular transformer architectures poses significant challenges for training and inference, and becomes the bottleneck for long inputs. Is it possible to significantly reduce the quadratic time complexity of computing the gradients in multi-layer transformer models? This paper proves that a novel fast approximation method can calculate the gradients in almost linear time $n^{1+o(1)}$ where $n$ is the input sequence length, while it maintains a polynomially small approximation error $1 / \mathrm{poly}(n)$ across the entire model. Our theory holds for general loss functions and when the multi-layer transformer model contains many practical sub-modules, such as residual connection, casual mask, and multi-head attention. By improving the efficiency of gradient computation, we hope that this work will facilitate more effective training and deployment of long-context language models based on our theoretical results.

cs.LG↗

arXiv2025

Retinex-guided Histogram Transformer for Mask-free Shadow Removal

While deep learning methods have achieved notable progress in shadow removal, many existing approaches rely on shadow masks that are difficult to obtain, limiting their generalization to real-world scenes. In this work, we propose ReHiT, an efficient mask-free shadow removal framework based on a hybrid CNN-Transformer architecture guided by Retinex theory. We first introduce a dual-branch pipeline to separately model reflectance and illumination components, and each is restored by our developed Illumination-Guided Hybrid CNN-Transformer (IG-HCT) module. Second, besides the CNN-based blocks that are capable of learning residual dense features and performing multi-scale semantic fusion, multi-scale semantic fusion, we develop the Illumination-Guided Histogram Transformer Block (IGHB) to effectively handle non-uniform illumination and spatially complex shadows. Extensive experiments on several benchmark datasets validate the effectiveness of our approach over existing mask-free methods. Trained solely on the NTIRE 2025 Shadow Removal Challenge dataset, our solution delivers competitive results with one of the smallest parameter sizes and fastest inference speeds among top-ranked entries, highlighting its applicability for real-world applications with limited computational resources. The code is available at https://github.com/dongw22/oath.

cs.CV↗

arXiv2025

X-Streamer: Unified Human World Modeling with Audiovisual Interaction

We introduce X-Streamer, an end-to-end multimodal human world modeling framework for building digital human agents capable of infinite interactions across text, speech, and video within a single unified architecture. Starting from a single portrait, X-Streamer enables real-time, open-ended video calls driven by streaming multimodal inputs. At its core is a Thinker-Actor dual-transformer architecture that unifies multimodal understanding and generation, turning a static portrait into persistent and intelligent audiovisual interactions. The Thinker module perceives and reasons over streaming user inputs, while its hidden states are translated by the Actor into synchronized multimodal streams in real time. Concretely, the Thinker leverages a pretrained large language-speech model, while the Actor employs a chunk-wise autoregressive diffusion model that cross-attends to the Thinker's hidden states to produce time-aligned multimodal responses with interleaved discrete text and audio tokens and continuous video latents. To ensure long-horizon stability, we design inter- and intra-chunk attentions with time-aligned multimodal positional embeddings for fine-grained cross-modality alignment and context retention, further reinforced by chunk-wise diffusion forcing and global identity referencing. X-Streamer runs in real time on two A100 GPUs, sustaining hours-long consistent video chat experiences from arbitrary portraits and paving the way toward unified world modeling of interactive digital humans.

cs.CV↗

arXiv2025

Towards Transparent AI: A Survey on Explainable Language Models

Language Models (LMs) have significantly advanced natural language processing and enabled remarkable progress across diverse domains, yet their black-box nature raises critical concerns about the interpretability of their internal mechanisms and decision-making processes. This lack of transparency is particularly problematic for adoption in high-stakes domains, where stakeholders need to understand the rationale behind model outputs to ensure accountability. On the other hand, while explainable artificial intelligence (XAI) methods have been well studied for non-LMs, they face many limitations when applied to LMs due to their complex architectures, considerable training corpora, and broad generalization abilities. Although various surveys have examined XAI in the context of LMs, they often fail to capture the distinct challenges arising from the architectural diversity and evolving capabilities of these models. To bridge this gap, this survey presents a comprehensive review of XAI techniques with a particular emphasis on LMs, organizing them according to their underlying transformer architectures: encoder-only, decoder-only, and encoder-decoder, and analyzing how methods are adapted to each while assessing their respective strengths and limitations. Furthermore, we evaluate these techniques through the dual lenses of plausibility and faithfulness, offering a structured perspective on their effectiveness. Finally, we identify open research challenges and outline promising future directions, aiming to guide ongoing efforts toward the development of robust, transparent, and interpretable XAI methods for LMs.

cs.CL↗

arXiv2025

FastHMR: Accelerating Human Mesh Recovery via Token and Layer Merging with Diffusion Decoding

Recent transformer-based models for 3D Human Mesh Recovery (HMR) have achieved strong performance but often suffer from high computational cost and complexity due to deep transformer architectures and redundant tokens. In this paper, we introduce two HMR-specific merging strategies: Error-Constrained Layer Merging (ECLM) and Mask-guided Token Merging (Mask-ToMe). ECLM selectively merges transformer layers that have minimal impact on the Mean Per Joint Position Error (MPJPE), while Mask-ToMe focuses on merging background tokens that contribute little to the final prediction. To further address the potential performance drop caused by merging, we propose a diffusion-based decoder that incorporates temporal context and leverages pose priors learned from large-scale motion capture datasets. Experiments across multiple benchmarks demonstrate that our method achieves up to 2.3x speed-up while slightly improving performance over the baseline.

cs.CV↗

arXiv2026

Vision Transformer Finetuning Benefits from Non-Smooth Components

The smoothness of the transformer architecture has been extensively studied in the context of generalization, training stability, and adversarial robustness. However, its role in transfer learning remains poorly understood. In this paper, we analyze the ability of vision transformer components to adapt their outputs to changes in inputs, or, in other words, their \emph{plasticity}. Defined as an average rate of change, it captures the sensitivity to input perturbation; in particular, a high plasticity implies a low smoothness. Our theoretical analysis and extensive experiments -- over $1,000$ finetuning runs on large-scale vision transformers -- showcase that this perspective provides principled guidance in choosing the components to prioritize during adaptation. A key takeaway for practitioners is that the high plasticity of the attention modules and feedforward layers consistently leads to better finetuning performance. Our findings depart from the prevailing assumption that smoothness is desirable, offering a novel perspective on transformers' functional properties. The code is available at https://github.com/ambroiseodt/vit-plasticity.

cs.LG↗

arXiv2026

Uncertainty quantification in neural network-based glucose prediction for diabetes

In this work, we investigate uncertainty-aware neural network models for blood glucose prediction and adverse glycemic event identification in Type 1 diabetes. We consider three families of sequence models based on LSTM, GRU, and Transformer architectures, with uncertainty quantification enabled by either Monte Carlo dropout or through evidential output layers compatible with Deep Evidential Regression. Using the HUPA-UCM diabetes dataset for validation, we find that Transformer-based models equipped with evidential output heads provide the most effective uncertainty-aware framework, achieving consistently higher predictive accuracies and better-calibrated uncertainty estimates whose magnitudes significantly correlate with prediction errors. We further evaluate the clinical risk of each model using the recently proposed Diabetes Technology Society error grid, with risk categories defined by international expert consensus. Our results demonstrate the value of integrating principled uncertainty quantification into real-time machine-learning-based blood glucose prediction systems.

cs.LG↗

arXiv2026

TokenSE: a Mamba-based discrete token speech enhancement framework for cochlear implants

Speech enhancement (SE) is critical for improving speech intelligibility and quality in real-world environments, particularly for cochlear implant (CI) users who experience severe degradations in speech understanding under noisy and reverberant conditions. In this study, we propose TokenSE, a discrete token-based SE framework operating in the neural audio codec space, which predicts clean codec token indices from degraded speech using a Mamba-based model. Unlike the earlier Transformer architecture, whose self-attention mechanism has a computational complexity that grows quadratically with sequence length, the input-dependent selection mechanism of Mamba achieves linear complexity, making it a compelling alternative to Transformers, especially for CI and hearing-aid (HA) applications. Objective evaluations show that TokenSE consistently outperforms baseline methods on both in-domain and out-of-domain datasets. Moreover, subjective listening experiments with CI users indicate clear benefit in speech intelligibility under adverse noisy and reverberant environments.

eess.AS↗

arXiv2026

Kalimati Vegetable Price Index Forecasting with a Momentum Corrected Online Stacking Ensemble

Forecasting agricultural commodity prices in emerging economies is difficult due to high volatility, frequent supply disruptions, and strong cultural influences on demand. This study introduces the Kalimati Vegetable Price Index (KVPI), a new inverse-volatility weighted composite index that aggregates 135 daily wholesale commodities from Kathmandu over ten years (2013-2023). By creating a stable macro-level signal, the KVPI reduces the noise inherent in modelling individual crops. A rich set of 64 causally valid features was developed, including festival lead-lag effects, rolling statistics, and calendar variables. Fourteen forecasting models spanning statistical, tree-based, deep learning, hybrid, and transformer architectures were rigorously evaluated across short (7-day), medium (14- and 30-day), and long-term (90-day) horizons. Tree-based ensembles proved notably robust, while classical statistical models and complex transformers struggled with the noisy dataset. The proposed Momentum-Corrected Online Stacking Ensemble achieved the strongest performance, yielding a Root Mean Square Error (RMSE) of 1.771, an exceptionally low Mean Absolute Percentage Error (MAPE) of 0.68%, and explaining 84.5% of the variance (R-squared = 0.845) at the 90-day horizon. This open-source pipeline provides policymakers and supply chain actors in Nepal and similar markets with a practical, reliable tool for anticipating price movements and strengthening food security.

cs.LG↗

arXiv2026

From Embeddings to Dyson Series: Transformer Mechanics as Non-Hermitian Operator Theory

Transformer architectures are typically described in algorithmic and statistical terms, leaving their internal mechanics without a familiar structural language for researchers trained in physical theories. To bridge this gap, we develop a complementary operator-theoretic framework that recasts their mechanics in a language familiar to many-body physics. Beginning from the token as a discrete index without intrinsic geometry, we show that embedding corresponds to a basis transformation into a continuous representation space. Once such a reference basis is established, self-attention naturally assumes the role of a non-Hermitian interaction operator, and network depth implements an ordered composition of these interactions. Within this formulation, several empirical properties of deep Transformers -- including stability at large depth, representational saturation, and the effectiveness of multi-head decomposition -- find natural structural interpretations as consequences of regulated operator composition. Together, channel factorization and normalization emerge as organizing structural logic rather than isolated architectural choices. This perspective does not rely on post-hoc analogy, but follows a constructive path where each parallel arises from the preceding structural step. By recasting Transformer mechanics in operator language, the framework lowers the conceptual barrier between deep learning and many-body physics through shared mathematical structure, making tools and intuitions from each domain more readily legible to the other.

cond-mat.dis-nn↗