Canada

Antibodies are crucial proteins produced by the immune system in response to foreign substances or antigens. The specificity of an antibody is determined by its complementarity-determining regions (CDRs), which are located in the variable domains of the antibody chains and form the antigen-binding site. Previous studies have utilized complex techniques to generate CDRs, but they suffer from inadequate geometric modeling. Moreover, the common iterative refinement strategies lead to an inefficient inference. In this paper, we propose a simple yet effective model that can co-design 1D sequences and 3D structures of CDRs in a one-shot manner. To achieve this, we decouple the antibody CDR design problem into two stages: (i) geometric modeling of protein complex structures and (ii) sequence-structure co-learning. We develop a novel macromolecular structure invariant embedding, typically for protein complexes, that captures both intra- and inter-component interactions among the backbone atoms, including Calpha, N, C, and O atoms, to achieve comprehensive geometric modeling. Then, we introduce a simple cross-gate MLP for sequence-structure co-learning, allowing sequence and structure representations to implicitly refine each other. This enables our model to design desired sequences and structures in a one-shot manner. Extensive experiments are conducted to evaluate our results at both the sequence and structure level, which demonstrate that our model achieves superior performance compared to the state-of-the-art antibody CDR design methods.

AAAI 2024

Cross-Gate MLP with Protein Complex Invariant Embedding Is a One-Shot Antibody Designer

app: bioinformatics

ml: graph-based machine learning

ml: applications

We are pleased to announce the Fortieth AAAI Conference on Artificial Intelligence (AAAI-26), which will be held in Singapore EXPO from January 20 to January 27, 2026.

The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines. AAAI-26 will feature technical paper presentations, special tracks, invited speakers, workshops, tutorials, poster sessions, senior member presentations, competitions, and exhibit programs, and a range of other activities to be announced.

To access this event page, you need to log in with the **email address you registered with**. Access credentials will be sent to your email from Underline - subject line "Welcome to AAAI 2026". Please be sure to check your spam email folder if you do not see an email confirmation right away.

Please log in

To access this event page, you are required to register.
Please complete your registration to continue.

We recommend reading [**the registration information**](https://aaai.org/conference/aaai/aaai-26/registration/) first.

**Online Registration Form**: https://aaai.getregistered.net/conference-2026 

Registration Required

AAAI 2026

We are pleased to announce the Fortieth AAAI Conference on Artificial Intelligence (AAAI-26), which will be held in Singapore EXPO from January 20 to January 27, 2026.

technical paper

We are pleased to announce the Thirty-Eighth AAAI Conference on Artificial Intelligence (AAAI-24), which will be held in Vancouver, British Columbia at the Vancouver Convention Centre – West Building from 20-27 February, 2024.

The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines. AAAI-24 will feature technical paper presentations, special tracks, invited speakers, workshops, tutorials, poster sessions, senior member presentations, competitions, and exhibit programs, and a range of other activities to be announced.

We expect for AAAI-24 to be an in-person conference – one author of all accepted papers will be expected to present work in person unless there are exceptional circumstances that prevent this.

In order to access the AAAI-24 event page you need to register [here](https://aaai.org/aaai-conference/registration/)

The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines. 

Unsupervised Graph Domain Adaptation (UGDA) aims to transfer knowledge from a labelled source graph to an unlabelled target graph in order to address the distribution shifts between graph domains. Previous works have primarily focused on aligning data from the source and target graph in the representation space learned by graph neural networks (GNNs). However, the inherent generalization capability of GNNs has been largely overlooked. Motivated by our empirical analysis, we reevaluate the role of GNNs in graph domain adaptation and uncover the pivotal role of the propagation process in GNNs for adapting to different graph domains. We provide a comprehensive theoretical analysis of UGDA and derive a generalization bound for multi-layer GNNs. By formulating GNN Lipschitz for k-layer GNNs, we show that the target risk bound can be tighter by removing propagation layers in source graph and stacking multiple propagation layers in target graph. Based on the empirical and theoretical analysis mentioned above, we propose a simple yet effective approach called A2GNN for graph domain adaptation. Through extensive experiments on real-world datasets, we demonstrate the effectiveness of our proposed A2GNN framework.

Rethinking Propagation for Unsupervised Graph Domain Adaptation

Deriving DSLR-quality sRGB images from smartphone RAW images has become a compelling challenge due to discernible detail disparity, color mapping instability, and spatial misalignment in RAW-sRGB data pairs. We present DiffRAW, a novel method that incorporates the diffusion model for the first time in learning RAW-to-sRGB mappings. By leveraging the diffusion model, our approach effectively learns the high-quality detail distribution of DSLR images, thereby enhancing the details of output images. Simultaneously, we use the RAW image as a diffusion condition to maintain image structure information such as contours and textures. To mitigate the interference caused by the color and spatial misalignment in training data pairs, we embed a color-position preserving condition within DiffRAW, ensuring that the output images do not exhibit color biases and pixel shift issues. To accelerate the inference process of DiffRAW, we designed the Domain Transform Diffusion Method, an efficient diffusion process with its corresponding reverse process. The Domain Transform Diffusion Method can reduce the required inference steps for diffusion model-based image restoration/enhancement algorithms while enhancing the quality of the generated images. Through evaluations on the ZRR dataset, DiffRAW consistently demonstrates state-of-the-art performance across all perceptual quality metrics (e.g., LPIPS, FID, MUSIQ), while achieving comparable results in PSNR and SSIM.

DiffRAW: Leveraging Diffusion Model to Generate DSLR-Comparable Perceptual Quality sRGB from Smartphone RAW Images

As an up-and-coming area, CLIP-based pre-trained vision-language models can readily facilitate downstream tasks through the zero-shot or few-shot fine-tuning manners. However, they still face critical challenges in test-time generalization due to the shifts between the training and test data distributions, hindering the further improvement of the performance. To address this crucial problem, the latest works have introduced Test-Time Adaptation (TTA) techniques to CLIP which dynamically learn text prompts using only test samples. However, their limited learning capacity due to the overlook of visual modality information, and the underutilization of knowledge in previously seen test samples result in reduced performance. In this paper, we propose a novel Dual-modal Adaptive online prompting and knowledge ReTention method called DART to overcome these challenges. To increase the learning capacity, DART captures knowledge from each test sample by learning class-specific text prompts and instance-level image prompts. Additionally, to fully leverage the knowledge from previously seen test samples, DART utilizes dual-modal knowledge retention prompts to adaptively retain the acquired knowledge, thereby enhancing the predictions on subsequent test samples. Extensive experiments on various large-scale benchmarks demonstrate the effectiveness of our proposed DART against state-of-the-art methods.

DART: Dual-Modal Adaptive Online Prompting and Knowledge Retention for Test-Time Adaptation | VIDEO

Weight quantization is an effective technique to compress deep neural networks for their deployment on edge devices with limited resources. Traditional loss-aware quantization methods commonly use the quantized gradient to replace the full-precision gradient. However, we discover that the gradient error will lead to an unexpected zig-zagging-like issue in the gradient descent learning procedures, where the gradient directions rapidly oscillate or zig-zag, and such issue seriously slows down the model convergence. Accordingly, this paper proposes a one-step forward and backtrack way for loss-aware quantization to get more accurate and stable gradient direction to defy this issue. During the gradient descent learning, a one-step forward search is designed to find the trial gradient of the next-step, which is adopted to adjust the gradient of current step towards the direction of fast convergence. After that, we backtrack the current step to update the full-precision and quantized weights through the current-step gradient and the trial gradient. A series of theoretical analysis and experiments on benchmark deep models have demonstrated the effectiveness and competitiveness of the proposed method, and our method especially outperforms others on the convergence performance.

One-Step Forward and Backtrack: Overcoming Zig-Zagging in Loss-Aware Quantization Training | VIDEO

Multi-task reinforcement learning endeavors to accomplish a set of different tasks with a single policy. To enhance data efficiency by sharing parameters across multiple tasks, a common practice segments the network into distinct modules and trains a routing network to recombine these modules into task-specific policies. However, existing routing approaches employ a fixed number of modules for all tasks, neglecting that tasks with varying difficulties commonly require varying amounts of knowledge. This work presents a Dynamic Depth Routing (D2R) framework, which learns strategic skipping of certain intermediate modules, thereby flexibly choosing different numbers of modules for each task. Under this framework, we further introduce a ResRouting method to address the issue of disparate routing paths between behavior and target policies during off-policy training. In addition, we design an automatic route-balancing mechanism to encourage continued routing exploration for unmastered tasks without disturbing the routing of mastered ones. We conduct extensive experiments on various robotics manipulation tasks in the Meta-World benchmark, where D2R achieves state-of-the-art performance with significantly improved learning efficiency.

Not All Tasks Are Equally Difficult: Multi-Task Deep Reinforcement Learning with Dynamic Depth Routing

Unsupervised cross-domain image retrieval (UCIR) aims to retrieve images sharing the same category across diverse domains without relying on labeled data. Prior approaches have typically decomposed the UCIR problem into two distinct tasks: intra-domain representation learning and cross-domain feature alignment. However, these segregated strategies overlook the potential synergies between these tasks. This paper introduces ProtoOT, a novel Optimal Transport formulation explicitly tailored for UCIR, which integrates intra-domain feature representation learning and cross-domain alignment into a unified framework. ProtoOT leverages the strengths of the K-means clustering method to effectively manage distribution imbalances inherent in UCIR. By utilizing K-means for generating initial prototypes and approximating class marginal distributions, we modify the constraints in Optimal Transport accordingly, significantly enhancing its performance in UCIR scenarios. Furthermore, we incorporate contrastive learning into the ProtoOT framework to further improve representation learning. This encourages local semantic consistency among features with similar semantics, while also explicitly enforcing separation between features and unmatched prototypes, thereby enhancing global discriminativeness. ProtoOT surpasses existing state-of-the-art methods by a notable margin across benchmark datasets. Notably, on DomainNet, ProtoOT achieves an average P@50 enhancement of 21.89%, and on Office-Home, it demonstrates a P@1 improvement of 8.31%. Code is available at https://github.com/HCVLab/ProtoOT.

Unsupervised Cross-Domain Image Retrieval via Prototypical Optimal Transport | VIDEO

Visual fine-tuning has garnered significant attention with the rise of pre-trained vision models. The current prevailing method, full fine-tuning, suffers from the issue of knowledge forgetting as it focuses solely on fitting the downstream training set. In this paper, we propose a novel weight rollback-based fine-tuning method called OLOR (One step Learning, One step Review). OLOR combines fine-tuning with optimizers, incorporating a weight rollback term into the weight update term at each step. This ensures consistency in the weight range of upstream and downstream models, effectively mitigating knowledge forgetting and enhancing fine-tuning performance. In addition, a layer-wise penalty is presented to employ penalty decay and the diversified decay rate to adjust the weight rollback levels of layers for adapting varying downstream tasks. Through extensive experiments on various tasks such as image classification, object detection, semantic segmentation, and instance segmentation, we demonstrate the general applicability and state-of-the-art performance of our proposed OLOR. Code is available at https://github.com/rainbow-xiao/OLOR-AAAI-2024.

One Step Learning, One Step Review | VIDEO

Multimodal intent recognition aims to leverage diverse modalities such as expressions, body movements and tone of speech to comprehend user's intent, constituting a critical task for understanding human language and behavior in real-world multimodal scenarios. Nevertheless, the majority of existing methods ignore potential correlations among different modalities and own limitations in effectively learning semantic features from nonverbal modalities. In this paper, we introduce a token-level contrastive learning method with modality-aware prompting (TCL-MAP) to address the above challenges. To establish an optimal multimodal semantic environment for text modality, we develop a modality-aware prompting module (MAP), which effectively aligns and fuses features from text, video and audio modalities with similarity-based modality alignment and cross-modality attention mechanism. Based on the modality-aware prompt and ground truth labels, the proposed token-level contrastive learning framework (TCL) constructs augmented samples and employs NT-Xent loss on the label token. Specifically, TCL capitalizes on the optimal textual semantic insights derived from intent labels to guide the learning processes of other modalities in return. Extensive experiments show that our method achieves remarkable improvements compared to state-of-the-art methods. Additionally, ablation analyses demonstrate the superiority of the modality-aware prompt over the handcrafted prompt, which holds substantial significance for multimodal prompt learning. The codes are released at https://github.com/thuiar/TCL-MAP.

Token-Level Contrastive Learning with Modality-Aware Prompting for Multimodal Intent Recognition

Low-light images frequently occur due to unavoidable environmental influences or technical limitations, such as insufficient lighting or limited exposure time. To achieve better visibility for visual perception, low-light image enhancement is usually adopted. Besides, lossy image compression is vital for meeting the requirements of storage and transmission in computer vision applications. To touch the above two practical demands, current solutions can be categorized into two sequential manners: ``Compress before Enhance (CbE)'' or ``Enhance before Compress (EbC)''. However, both of them are not suitable since: (1) Error accumulation in the individual models plagues sequential solutions. Especially, once low-light images are compressed by existing general lossy image compression approaches, useful information (e.g., texture details) would be lost resulting in a dramatic performance decrease in low-light image enhancement. (2) Due to the intermediate process, the sequential solution introduces an additional burden resulting in low efficiency. We propose a novel joint solution to simultaneously achieve a high compression rate and good enhancement performance for low-light images with much lower computational cost and fewer model parameters. We design an end-to-end trainable architecture, which includes the main enhancement branch and the signal-to-noise ratio (SNR) aware branch. Experimental results show that our proposed joint solution achieves a significant improvement over different combinations of existing state-of-the-art sequential ``Compress before Enhance'' or ``Enhance before Compress'' solutions for low-light images, which would make lossy low-light image compression more meaningful. The project is publicly available at: https://github.com/CaiShilv/Joint-IC-LL.

Make Lossy Compression Meaningful for Low-Light Images

Applying Reinforcement Learning (RL) to sequence generation models enables the direct optimization of long-term rewards (\textit{e.g.,} BLEU and human feedback), but typically requires large-scale sampling over a space of action sequences. This is a computational challenge as presented by the practice of sequence generation problems, such as machine translation, where we often deal with a large action space (\textit{e.g.,} a vocabulary) and a long action sequence (\textit{e.g.,} a translation). In this work, we introduce two-stage sampling and dynamic sampling approaches to improve the sampling efficiency during training sequence generation models via RL. We experiment with our approaches on the traditional sequence generation tasks, including machine translation and abstractive summarization. Furthermore, we evaluate our approaches in RL from human feedback (RLHF) through training a large language model using the reward model.  Experimental results show that the efficient sampling-based RL, referred to as ESRL, can outperform all baselines in terms of both training efficiency and memory consumption. Notably, ESRL yields consistent performance gains over the strong REINFORCE, minimum risk training, and proximal policy optimization methods.

Downloads

Next from AAAI 2024

Rethinking Propagation for Unsupervised Graph Domain Adaptation

Similar lecture

Dynamic Geometric Equivariant Network for Full-Atom Antibody Design

.css-70qvj9{display:-webkit-box;display:-webkit-flex;display:-ms-flexbox;display:flex;-webkit-align-items:center;-webkit-box-align:center;-ms-flex-align:center;align-items:center;}Downloads

Next from AAAI 2024

Rethinking Propagation for Unsupervised Graph Domain Adaptation

Similar lecture

Dynamic Geometric Equivariant Network for Full-Atom Antibody Design

Downloads