Significant progress has been achieved using Vision Transformers (ViTs) in computer vision. However, challenges persist in modeling multi-scale spatial relationships, hindering effective integration of fine-grained local details and longrange global dependencies. To address this limitation, a Multi-Kernel CorrelationAttention Vision Transformer (MK-CAViT) grounded in the Hirschfeld-GebeleinRényi (HGR) theory was proposed, introducing three key innovations. A parallel multi-kernel architecture was utilized to extract multi-scale features through small, medium, and large kernels, overcoming the single-scale constraints of conventional ViTs. The cross-scale interactions were enhanced through the Fast-HGR attention mechanism, which models nonlinear dependencies and applies adaptive scaling to weigh connections and refine contextual reasoning. Additionally, a stable multi-scale fusion strategy was adopted, integrating dynamic normalization and staged learning to mitigate gradient variance, progressively fusing local and global contexts, and improving training stability.

Image deblurring plays a crucial role in enhancing visual clarity across various applications. Although most deep learning approaches primarily focus on sRGB images, which inherently lose critical information during the image signal processing pipeline, RAW images, being unprocessed and linear, possess superior restoration potential but remain underexplored. Deblurring RAW images presents unique challenges, particularly in handling frequency-dependent blur while maintaining computational efficiency. To address these issues, we propose Frequency Enhanced Network (FrENet), a framework specifically designed for RAW-to-RAW deblurring that operates directly in the frequency domain. We introduce a novel Adaptive Frequency Positional Modulation module, which dynamically adjusts frequency components according to their spectral positions, thereby enabling precise control over the deblurring process. Additionally, frequency domain skip connections are adopted to further preserve high-frequency details. Experimental results demonstrate that FrENet surpasses state-of-the-art deblurring methods in RAW image deblurring, achieving significantly better restoration quality while maintaining high efficiency in terms of reduced MACs. Furthermore, FrENet's adaptability enables it to be extended to sRGB images, where it delivers comparable or superior performance compared to methods specifically designed for sRGB data. The source code and pre-trained models are publicly available at https://github.com/WenlongJiao/FrENet.

Generative models for structure-based drug design are often limited to a specific modality, restricting their broader applicability. To address this challenge, we introduce FuncBind, a framework based on computer vision to generate targetconditioned, all-atom molecules across atomic systems. FuncBind uses neural fields to represent molecules as continuous atomic densities and employs scorebased generative models with modern architectures adapted from the computer vision literature. This modality-agnostic representation allows a single unified model to be trained on diverse atomic systems, from small to large molecules, and handle variable atom/residue counts, including non-canonical amino acids. FuncBind achieves competitive in silico performance in generating small molecules, macrocyclic peptides, and antibody complementarity-determining region loops, conditioned on target structures. FuncBind also generated in vitro novel antibody binders via de novo redesign of the complementarity-determining region H3 loop of two chosen co-crystal structures. As a final contribution, we introduce a new dataset and benchmark for structure-conditioned macrocyclic peptide generation*.

Large language models (LLMs) have revolutionized natural language processing and are increasingly applied to other sequential data types, including genetic sequences. However, adapting LLMs to genetics presents significant challenges. Capturing complex genomic interactions requires modeling long-range global dependencies within DNA sequences, where interactions often span over 10,000 base pairs, even within a single gene. This poses substantial computational demands under conventional model architectures and training paradigms. Additionally, traditional LLM training approaches are suboptimal for DNA sequences: autoregressive training, while efficient for training, only supports unidirectional sequence understanding. However, DNA is inherently bidirectional.

Associative memory models based on Hopfield networks and self-attention based on key-value mechanisms have been popular approaches in the study of memory mechanisms in deep learning. It has been pointed out that the state update rule of the modern Hopfield network (MHN) in the adiabatic approximation is in agreement with the self-attention layer of Transformer. In this paper, we go beyond this approximation and investigate the relationship between MHN and selfattention. Our results show that the correspondence between Hopfield networks and Transformers can be established in a more generalized form by adding a new variable, the hidden state derived from the MHN, to self-attention. This new attention mechanism, modern Hopfield attention (MHA), allows the inheritance of attention scores from the input layer of the Transformer to the output layer, which greatly improves the nature of attention weights. In particular, we show both theoretically and empirically that MHA hidden states significantly improve serious problem of deep Transformers known as rank collapse and token uniformity. We also confirm that MHA can systematically improve accuracy without adding training parameters to the Vision Transformer or GPT. Our results provide a new case in which Hopfield networks can be a useful perspective for improving the Transformer architecture.

We propose a unified framework for adaptive routing in multitask, multimodal prediction settings where data heterogeneity and task interactions vary across samples. We introduce a routing-based architecture that dynamically selects modality processing pathways and task-sharing strategies on a per-sample basis. Our model defines multiple modality paths, including raw and fused representations of text and numeric features, and learns to route each input through the most informative modality-task expert combination. Task-specific predictions are produced by shared or independent heads depending on the routing decision, and the entire system is trained end-to-end. We evaluate the model on both synthetic data and real-world psychotherapy notes, predicting depression and anxiety outcomes. Our experiments show that our method consistently outperforms fixed multitask or single-task baselines, and that the learned routing policy provides interpretable insights into modality relevance and task structure. This addresses critical challenges in personalized healthcare by providing per-subject adaptive information processing that accounts for data and task correlation heterogeneity.

Molecular representation learning has emerged as a promising approach for modeling molecules with deep learning in chemistry and beyond. While 3D geometric models effectively capture molecular structure, they typically process single static conformers, overlooking the inherent flexibility and dynamics of molecules. In reality, many molecular properties depend on distributions of thermodynamically accessible conformations rather than single structures. Recent works show that learning from conformer ensembles can improve molecular representations, but existing approaches either produce unphysical structures through averaging or require restrictive molecular alignment. In this paper, we propose SymmetryPreserving Conformer Ensemble networks (SPiCE), which introduces two key innovations: (1) geometric mixture-of-experts for selective processing of scalar and vector features, and (2) hierarchical ensemble encoding that combines ensemblelevel representation with cross-conformer integration. Crucially, SPiCE ensures physically meaningful representations by maintaining joint equivariance to geometric transformations of individual conformers and conformer permutations. Extensive experiments demonstrate that SPiCE consistently outperforms existing conformer ensemble methods and state-of-the-art structural aggregation models across quantum mechanical and biological property prediction tasks.

Initialization plays a critical role in Deep Neural Network training, directly influencing convergence, stability, and generalization. Common approaches such as Glorot and He initializations rely on randomness, which can produce uneven weight distributions across layer connections. In this paper, we introduce the Sinusoidal initialization, a novel deterministic method that employs sinusoidal functions to construct structured weight matrices expressly to improve the spread and balance of weights throughout the network while simultaneously fostering a more uniform, well-conditioned distribution of neuron activation states from the very first forward pass. Because Sinusoidal initialization begins with weights and activations that are already evenly and efficiently utilized, it delivers consistently faster convergence, greater training stability, and higher final accuracy across a wide range of models, including convolutional neural networks, vision transformers, and large language models. On average, our experiments show an increase of 4.9% in final validation accuracy and 20.9% in convergence speed. By replacing randomness with structure, this initialization provides a stronger and more reliable foundation for Deep Learning systems.

We present Text2MBL, a text-to-code generation framework that generates executable Building Information Modeling (BIM) code directly from textual descriptions of modular building layout (MBL) design. Unlike conventional layout generation approaches that operate in 2D space, Text2MBL produces fully parametric, semantically rich BIM layouts through on-the-fly code instantiation. To address MBLs' unique challenges due to their hierarchical three-tier structure: modules (physical building blocks), units (self-contained dwellings), and rooms (functional spaces), we developed an object-oriented code architecture and fine-tuned large language models to output structured action sequences in code format. To train and evaluate the framework, we curated a dataset of paired descriptions and ground truth layouts drawn from real-world modular housing projects. Performance was assessed using metrics for executable validity, semantic fidelity, and geometric consistency. By tightly unifying natural language understanding with BIM code generation, Text2MBL establishes a scalable pipeline from high-level conceptual design to automation-ready modular construction workflows.

The ability to capture rich representations of combinatorial structures has enabled the application of machine learning to tasks such as analysis and generation of floorplans, terrains, images, and animations. Recent work has primarily focused on understanding structures with well-defined features, neighborhoods, or underlying distance metrics, while those lacking such characteristics remain largely unstudied. Examples of these combinatorial structures can be found in polygons, where a small change in the vertex locations causes a significant rearrangement of the combinatorial structure, expressed as a visibility or triangulation graphs. Current representation learning approaches fail to capture structures without well-defined features and distance metrics. In this paper, we study the open problem of Visibility Reconstruction: Given a visibility graph G, construct a polygon P whose visibility graph is G.