Canada

Deep learning-based surrogate models have demonstrated remarkable advantages over classical solvers in terms of speed, often achieving speedups of 10 to 1000 times over traditional partial differential equation (PDE) solvers. However, a significant challenge hindering their widespread adoption in both scientific and industrial domains is the lack of understanding about their prediction uncertainties, particularly in scenarios that involve critical decision making. To address this limitation, we propose a method that integrates efficient and precise uncertainty quantification into a deep learning-based surrogate model. Our method, termed Latent Evolution of PDEs with Uncertainty Quantification (LE-PDE-UQ), endows deep learning-based surrogate models with robust and efficient uncertainty quantification capabilities for both forward and inverse problems. LE-PDE-UQ leverages latent vectors within a latent space to evolve both the system&#39;s state and its corresponding uncertainty estimation. The latent vectors are decoded to provide predictions for the system&#39;s state as well as estimates of its uncertainty. In extensive experiments, we demonstrate the accurate uncertainty quantification performance of our approach, surpassing that of strong baselines including deep ensembles, Bayesian neural network layers, and dropout. Our method excels at propagating uncertainty over extended auto-regressive rollouts, making it suitable for scenarios involving long-term predictions. Our code is available at: https://github.com/AI4Science-WestlakeU/le-pde-uq.

AAAI 2024

Uncertainty Quantification for Forward and Inverse Problems of PDEs via Latent Global Evolution

partial differential equation (pde) ，uncertainty quantification，le-pde-uq， latent vector

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.

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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.

Deep learning-based surrogate models have demonstrated remarkable advantages over classical solvers in terms of speed, often achieving speedups of 10 to 1000 times over traditional partial differential equation (PDE) solvers. However, a significant challenge hindering their widespread adoption in both scientific and industrial domains is the lack of understanding about their prediction uncertainties, particularly in scenarios that involve critical decision making. To address this limitation, we propose a method that integrates efficient and precise uncertainty quantification into a deep learning-based surrogate model. Our method, termed Latent Evolution of PDEs with Uncertainty Quantification (LE-PDE-UQ), endows deep learning-based surrogate models with robust and efficient uncertainty quantification capabilities for both forward and inverse problems. LE-PDE-UQ leverages latent vectors within a latent space to evolve both the system's state and its corresponding uncertainty estimation. The latent vectors are decoded to provide predictions for the system's state as well as estimates of its uncertainty. In extensive experiments, we demonstrate the accurate uncertainty quantification performance of our approach, surpassing that of strong baselines including deep ensembles, Bayesian neural network layers, and dropout. Our method excels at propagating uncertainty over extended auto-regressive rollouts, making it suitable for scenarios involving long-term predictions. Our code is available at: https://github.com/AI4Science-WestlakeU/le-pde-uq.

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. 

In approval-based committee (ABC) elections, the goal is to elect a fixed size subset of the candidates, a so-called committee, based on the voters' approval ballots over the candidates. One of the most popular classes of ABC voting rules are ABC scoring rules, which have recently been characterized by Lackner and Skowron (2021). However, this characterization relies on a model where the output is a ranking of committees instead of a set of winning committees and no full characterization of ABC scoring rules exists in the latter standard setting. We address this issue by characterizing two important subclasses of ABC scoring rules in the standard ABC election model, thereby both extending the result of Lackner and Skowron (2021) to the standard setting and refining it to subclasses. In more detail, by relying on a consistency axiom for variable electorates, we characterize (i) the prominent class of Thiele rules and (ii) a new class of ABC voting rules called ballot size weighted approval voting. Based on these theorems, we also infer characterizations of three well-known ABC voting rules, namely multi-winner approval voting, proportional approval voting, and satisfaction approval voting.

Refined Characterizations of Approval-Based Committee Scoring Rules

The pretrain-finetune paradigm has achieved great success in NLP and 2D image fields because of the high-quality representation ability and transferability of their pretrained models. However, pretraining such a strong model is difficult in the 3D point cloud field due to the limited amount of point cloud sequences. This paper introduces \textbf{E}fficient \textbf{P}oint \textbf{C}loud \textbf{L}earning (EPCL), an effective and efficient point cloud learner for directly training high-quality point cloud models with a frozen CLIP transformer. Our EPCL connects the 2D and 3D modalities by semantically aligning the image features and point cloud features without paired 2D-3D data.  Specifically, the input point cloud is divided into a series of local patches, which are converted to token embeddings by the designed point cloud tokenizer. These token embeddings are concatenated with a task token and fed into the frozen CLIP transformer to learn point cloud representation. The intuition is that the proposed point cloud tokenizer projects the input point cloud into a unified token space that is similar to the 2D images.  Comprehensive experiments on 3D detection, semantic segmentation, classification and few-shot learning demonstrate that the CLIP transformer can serve as an efficient point cloud encoder and our method achieves promising performance on both indoor and outdoor benchmarks. In particular, performance gains brought by our EPCL are $\textbf{19.7}$ AP$_{50}$ on ScanNet V2 detection, $\textbf{4.4}$ mIoU on S3DIS segmentation and $\textbf{1.2}$ mIoU on SemanticKITTI segmentation compared to contemporary pretrained models. Code is available at \url{https://github.com/XiaoshuiHuang/EPCL}.

Frozen CLIP Transformer Is an Efficient Point Cloud Encoder

Sketch-based terrain generation seeks to create realistic landscapes for virtual environments in various applications such as computer games, animation and virtual reality. Recently, deep learning based terrain generation has emerged, notably the ones based on generative adversarial networks (GAN). However, these methods often struggle to fulfill the requirements of flexible user control and maintain generative diversity for realistic terrain. Therefore, we propose a novel diffusion-based method, namely terrain diffusion network (TDN), which actively incorporates user guidance for enhanced controllability, taking into account terrain features like rivers, ridges, basins, and peaks. Instead of adhering to a conventional monolithic denoising process, which often compromises the fidelity of terrain details or the alignment with user control, a multi-level denoising scheme is proposed to generate more realistic terrains by taking into account fine-grained details, particularly those related to climatic patterns influenced by erosion and tectonic activities. Specifically, three terrain synthesisers are designed for structural, intermediate, and fine-grained level denoising purposes, which allow each synthesiser concentrate on a distinct terrain aspect. Moreover, to maximise the efficiency of our TDN, we further introduce terrain and sketch latent spaces for the synthesizers with pre-trained terrain autoencoders. Comprehensive experiments on a new dataset constructed from NASA Topology Images clearly demonstrate the effectiveness of our proposed method, achieving the state-of-the-art performance. Our code is available at https://github.com/TDNResearch/TDN.

Terrain Diffusion Network: Climatic-Aware Terrain Generation with Geological Sketch Guidance

We explore the generalization of the implicit representation in the physical simulation task. Traditional time-dependent partial differential equations (PDEs) solvers for physical simulation often adopt the grid or mesh for spatial discretization, which is memory-consuming for high resolution and lack of adaptivity. Many implicit representations like local extreme machine or Siren are proposed but they are still too compact to suffer from limited accuracy in handling local details and a long time of convergence. We contribute a neural simulation framework based on multi-resolution hash grid representation to introduce hierarchical consideration of global and local information, simultaneously. Furthermore, we propose two key strategies:  1) a numerical gradient method for computing high-order derivatives with boundary conditions;  2) a range analysis sample method for fast neural geometry boundary sampling with dynamic topologies. Our method shows much higher accuracy and strong flexibility for various simulation problems: e.g., large elastic deformations, complex fluid dynamics, and multi-scale phenomena which remain challenging for existing neural physical solvers.

Neural Physical Simulation with Multi-Resolution Hash Grid Encoding

We prove that when we do the Taylor series expansion of the loss function, the BN operation will block the influence of the first-order term and most influence of the second-order term of the loss. We also find that such a problem is caused by the standardization phase of the BN operation. We believe that proving the blocking of certain loss terms provides an analytic perspective for potential detects of a deep model with BN operations, although the blocking problem is not fully equivalent to significant damages in all tasks on benchmark datasets. Experiments show that the BN operation significantly affects feature representations in specific tasks.

Batch Normalization Is Blind to the First and Second Derivatives of the Loss

Denoising Probabilistic Models (DPMs) represent an emerging domain of generative models that excel in generating diverse and high-quality images. However, most current training methods for DPMs often neglect the correlation between timesteps, limiting the model's performance in generating images effectively. Notably, we theoretically point out that this issue can be caused by the cumulative estimation gap between the predicted and the actual trajectory. To minimize that gap, we propose a novel \textit{sequence-aware} loss that aims to reduce the estimation gap to enhance the sampling quality. Furthermore, we theoretically show that our proposed loss function is a tighter upper bound of the estimation loss in comparison with the conventional loss in DPMs. Experimental results on several benchmark datasets including CIFAR10, CelebA, and CelebA-HQ consistently show a remarkable improvement of our proposed method regarding the image generalization quality measured by FID and Inception Score compared to several DPM baselines. Our code and pre-trained checkpoints are available at \url{https://github.com/viettmab/SA-DPM}.

On Inference Stability for Diffusion Models

To ensure the usefulness of Reinforcement Learning (RL) in real systems, it is crucial to ensure they are robust to noise and adversarial attacks. In adversarial RL, an external attacker has the power to manipulate the victim agent's interaction with the environment. We study the full class of online manipulation attacks, which include (i) state attacks, (ii) observation attacks (which are a generalization of perceived-state attacks), (iii) action attacks, and (iv) reward attacks. We show the attacker's problem of designing a stealthy attack that maximizes its own expected reward, which often corresponds to minimizing the victim's value, is captured by a Markov Decision Process (MDP) that we call a meta-MDP since it is not the true environment but a higher level environment induced by the attacked interaction. We show that the attacker can derive optimal attacks by planning in polynomial time or learning with polynomial sample complexity using standard RL techniques. We argue that the optimal defense policy for the victim can be computed as the solution to a stochastic Stackelberg game, which can be further simplified into a partially-observable turn-based stochastic game (POTBSG). Neither the attacker nor the victim would benefit from deviating from their respective optimal policies, thus such solutions are truly robust. Although the defense problem is NP-hard, we show that optimal Markovian defenses can be computed (learned) in polynomial time (sample complexity) in many scenarios.

Optimal Attack and Defense for Reinforcement Learning

A 360-degree (omni-directional) image provides an all-encompassing spherical view of a scene. Recently, there has been an increasing interest in synthesising 360-degree images from conventional narrow field of view (NFoV) images captured by digital cameras and smartphones, for providing immersive experiences in various scenarios such as virtual reality. Yet, existing methods typically fall short in synthesizing intricate visual details or ensure the generated images align consistently with user-provided prompts. In this study, autoregressive omni-aware generative network (AOG-Net) is proposed for 360-degree image generation by outpainting an incomplete 360-degree image progressively with NFoV and text guidances joinly or individually. This autoregressive scheme not only allows for deriving finer-grained and text-consistent patterns by dynamically generating and adjusting the process but also offers users greater flexibility to edit their conditions throughout the generation process. A global-local conditioning mechanism is devised to comprehensively formulate the outpainting guidance in each autoregressive step. Text guidances, omni-visual cues, NFoV inputs and omni-geometry are encoded and further formulated with cross-attention based transformers into a global stream and a local stream into a conditioned generative backbone model. As AOG-Net is compatible to leverage large-scale models for the conditional encoder and the generative prior, it enables the generation to use extensive open-vocabulary text guidances. Comprehensive experiments on two commonly used 360-degree image datasets for both indoor and outdoor settings demonstrate the state-of-the-art performance of our proposed method. Our code is available at https://github.com/zhuqiangLu/AOG-NET-360.

Autoregressive Omni-Aware Outpainting for Open-Vocabulary 360-Degree Image Generation | VIDEO

Therapeutic peptides represent a unique class of pharmaceutical agents crucial for the treatment of human diseases. Recently, deep generative models have exhibited remarkable potential for generating therapeutic peptides, but they only utilize sequence or structure information alone, which hinders the performance in generation. In this study, we propose a Multi-Modal Contrastive Diffusion model (MMCD), fusing both sequence and structure modalities in a diffusion framework to co-generate novel peptide sequences and structures. Specifically, MMCD constructs the sequence-modal and structure-modal diffusion models, respectively, and devises a multi-modal contrastive learning strategy with inter-contrastive and intra-contrastive in each diffusion timestep, aiming to capture the consistency between two modalities and boost model performance. The inter-contrastive aligns sequences and structures of peptides by maximizing the agreement of their embeddings, while the intra-contrastive differentiates therapeutic and non-therapeutic peptides by maximizing the disagreement of their sequence/structure embeddings simultaneously. The extensive experiments demonstrate that MMCD performs better than other state-of-the-art deep generative methods in generating therapeutic peptides across various metrics, including antimicrobial/anticancer score, diversity, and peptide-docking.

A Multi-Modal Contrastive Diffusion Model for Therapeutic Peptide Generation

We consider a federated learning (FL) system consisting of multiple clients and a server, where the clients aim to collaboratively learn a common decision model from their distributed data. Unlike the conventional FL framework that assumes the client's data is static, we consider scenarios where the clients' data distributions may be reshaped by the deployed decision model. In this work, we leverage the idea of distribution shift mappings in performative prediction to formalize this model-dependent data distribution shift and propose a performative FL framework. 
We first introduce necessary and sufficient conditions for the existence of a unique performative stable solution  and characterize its distance to the performative optimal solution. Then we propose the performative FedAvg algorithm and show that it converges to the performative stable solution at a rate of  O(1/T) under both full and partial participation schemes.
In particular, we use novel proof techniques and show how the clients' heterogeneity influences the convergence. Numerical results validate our analysis and provide valuable insights into real-world applications.

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Refined Characterizations of Approval-Based Committee Scoring Rules

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