United States

In recent years, graph neural network (GNN) based approaches
have emerged as a powerful technique to encode complex
topological structure of crystal materials in an enriched repre-
sentation space. These models are often supervised in nature
and using the property-specific training data, learn relation-
ship between crystal structure and different properties like
formation energy, bandgap, bulk modulus, etc. Most of these
methods require a huge amount of property-tagged data to
train the system which may not be available for different prop-
erties. However, there is an availability of a huge amount
of crystal data with its chemical composition and structural
bonds. To leverage these untapped data, this paper presents
CrysGNN, a new pre-trained GNN framework for crystalline
materials, which captures both node and graph level structural
information of crystal graphs using a huge amount of unla-
belled material data. Further, we extract distilled knowledge
from CrysGNN and inject into different state of the art prop-
erty predictors to enhance their property prediction accuracy.
We conduct extensive experiments to show that with distilled
knowledge from the pre-trained model, all the SOTA algo-
rithms are able to outperform their own vanilla version with
good margins. We also observe that the distillation process
provides significant improvement over the conventional ap-
proach of finetuning the pre-trained model. We will release the
pre-trained model along with the large dataset of 800K crys-
tal graph which we carefully curated; so that the pre-trained
model can be plugged into any existing and upcoming models
to enhance their prediction accuracy.

AAAI 2023

CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials.

materials-property-prediction

gnn-pretraining

crystal-materials

graph-neural-networks

knowledge-distillation

# Welcome everyone to ACL 2022!

The 60th Annual Meeting of the Association for Computational Linguistics is taking place May 22-27, 2022 as a hybrid event, in Dublin and online. We are happy to welcome all of you to this anniversary edition with an almost 50-50 in-person and virtual participation. 
The main conference program features oral presentations, in-person and virtual posters and demo sessions, a plenary session for our best paper presentations and awards, three amazing keynote events and two new initiatives of invited talks: Spotlight Talks for Young Rising Stars (STIRS) and The Next Big Idea Talks. Posters (including Findings of ACL 2022) and demos are grouped by areas for both the in-person and the virtual sessions. For the virtual component, the talks will be on Zoom and the posters and the demos will be in GatherTown. The Student Research Workshop will have an oral session and a poster session as part of Poster Session 1. The program also features eight Tutorials and 28 Workshops. 

 
We wish you a wonderful conference! 
[**The ACL 2022 Organizing Committee**](https://www.2022.aclweb.org/organisers)
 
[**Conference Handbook**](https://drive.google.com/file/d/1_BUCMfhMVrjG9E2e71aHdHeE28KSje0l/view?usp=sharing) 
[**Mini Handbook**](https://drive.google.com/file/d/1qlBKl0wzmlVF1oCeMQl3BahLd9nLP5Ce/view?usp=sharing) 
[**Posters and Demo guides**](https://drive.google.com/file/d/1UucMAoCNncIOaH1rMMDa0owuG9qgvJTG/view?usp=sharing)

ACL 2022

The Association for Computational Linguistics (ACL) is the premier international scientific and professional society for people working on computational problems involving human language, a field often referred to as either computational linguistics or natural language processing (NLP). 

poster

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-23 is the Thirty-Seventh AAAI Conference on Artificial Intelligence. The theme of this conference is to create collaborative bridges within and beyond AI. Like previous AAAI conferences, AAAI-23 will feature technical paper presentations, special tracks, invited speakers, workshops, tutorials, poster sessions, senior member presentations, competitions, and exhibit programs, and two new activities: a Bridge Program and a Lab Program. Many of these activities are tailored to the theme of bridges and all are selected according to the highest standards, with additional programs for students and young researchers. 
AAAI is providing you with a conference planner, which you can use to help organize your itinerary of activities. This includes talks to attend in person, talks to attend remotely, breaks with colleagues and your site seeing activities. To access this conference planner, please go to [https://aaai-2023.takemobi.io](https://aaai-2023.takemobi.io).

In order to access this site, you need to register. If you haven't already, please register [here](https://aaai.org/Conferences/AAAI-23/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.

Mixture models of Plackett-Luce (PL) -- one of the most fundamental ranking models -- are an active research area of both theoretical and practical significance. Most previously proposed parameter estimation algorithms instantiate the EM algorithm, often with random initialization. However, such an initialization scheme may not yield a good initial estimate and the algorithms require multiple restarts, incurring a large time complexity. As for the EM procedure, while the E-step can be performed efficiently, maximizing the log-likelihood in the M-step is difficult due to the combinatorial nature of the PL likelihood function (Gormley and Murphy 2008). Therefore, previous authors favor algorithms that maximize surrogate likelihood functions (Zhao et al. 2018, 2020). However, the final estimate may deviate from the true maximum likelihood estimate as a consequence. In this paper, we address these known limitations. We propose an initialization algorithm that can provide a provably accurate initial estimate and an EM algorithm that maximizes the true log-likelihood function efficiently. Experiments on both synthetic and real datasets show that our algorithm is competitive in terms of accuracy and speed to baseline algorithms, especially on datasets with a large number of items.

Efficient and Accurate Learning of Mixtures of Plackett-Luce Models

Monocular 3D motion capture (mocap) is beneficial to many applications. The use of a single camera, however, often fails to handle occlusions of different body parts and hence it is limited to capture relatively simple movements. We present a light-weight, hybrid mocap technique called HybridCap that augments the camera with only 4 Inertial Measurement Units (IMUs) in a novel learning-and-optimization framework. We first employ a weakly-supervised and hierarchical motion inference module based on cooperative pure residual recurrent blocks that serve as limb, body and root trackers as well as an inverse kinematics solver. Our network effectively narrows the search space of plausible motions via coarse-to-fine pose estimation and manages to tackle challenging movements with high efficiency. We further develop a hybrid optimization scheme that combines inertial feedback and visual cues to improve tracking accuracy. Extensive experiments on various datasets demonstrate HybridCap can robustly handle challenging movements ranging from fitness actions to Latin dance. It also achieves real-time performance up to 60 fps with state-of-the-art accuracy.

HybridCap: Inertia-aid Monocular Capture of Challenging Human Motions

Federated recommendation (FedRec) can train personalized recommenders without collecting user data, but the decentralized nature makes it susceptible to poisoning attacks. Most previous studies focus on the targeted attack to promote certain items, while the untargeted attack that aims to degrade the overall performance of the FedRec system remains less explored. In fact, untargeted attacks can disrupt the user experience and bring severe ﬁnancial loss to the service provider. However, existing untargeted attack methods are either inapplicable or ineffective against FedRec systems. In this paper, we delve into the untargeted attack and its defense for FedRec systems. (i) We propose ClusterAttack, a novel untargeted attack method. It uploads poisonous gradients that converge the item embeddings into several dense clusters, which make the recommender generate similar scores for these items in the same cluster and perturb the ranking order. (ii) We propose a uniformity-based defense mechanism (UNION) to protect FedRec systems from such attacks. We design a contrastive learning task that regularizes the item embeddings toward a uniform distribution. Then the server ﬁlters out these malicious gradients by estimating the uniformity of updated item embeddings. Experiments on two public datasets show that ClusterAttack can effectively degrade the performance of FedRec systems while circumventing many defense methods, and UNION can improve the resistance of the system against various untargeted attacks, including our ClusterAttack.

Untargeted Attack against Federated Recommendation Systems via Poisonous Item Embeddings and the Defense

Event cameras are a kind of bio-inspired imaging sensor, which asynchronously collect sparse event streams with many advantages. In this paper, we focus on building better and faster event-based object detectors. To this end, we first propose a computationally efficient event representation Hyper Histogram, which adequately preserves both the polarity and temporal information of events. Then we devise an Adaptive Event Conversion module, which converts events into Hyper Histograms according to event density via an adaptive queue. What's more, we introduce a novel event-based augmentation method Shadow Mosaic, which significantly improves the event sample diversity and enhances the generalization ability of detection models. We equip our proposed modules on three representative object detection models: YOLOv5, Deformable-DETR and RetinaNet. Experimental results on three event-based detection datasets (1Mpx, Gen1 and MVSEC-NIGHTL21) demonstrate that our proposed approach outperforms other state-of-the-art methods by a large margin, while achieving a much faster running speed (<14ms and <4ms for 50ms event data on the 1Mpx and Gen1 datasets).

Better and Faster: Adaptive Event Conversion for Event-based Object Detection

Recently, deep learning has emerged as a prominent
tool for video denoising. Most existing deep video denoising methods
are supervised over training samples with noise-free videos.
As collecting noise-free videos can be costly and challenging in
many applications, this paper aims at developing an unsupervised
deep learning method for video denoising which only uses a single
test noisy video for training. To train a video denoising network
without truth, an unsupervised loss is presented which provides
an unbiased estimator of its supervised counterpart defined on
noise-free video. In addition, a temporal attention mechanism is
proposed to exploit redundancy among frames. The experiments
on video denoising showed that the proposed unsupervised
method not only outperformed existing unsupervised ones, but
also remained very competitive against recent supervised deep
learning methods.

Unsupervised Deep Video Denoising with Untrained Network

Real-world recognition system often encounters the challenge of unseen labels. To identify such unseen labels, multi-label zero-shot learning (ML-ZSL) focuses on transferring knowledge by a pre-trained textual label embedding (e.g., GloVe). However, such methods only exploit single-modal knowledge from a language model, while ignoring the rich semantic information inherent in image-text pairs. Instead, recently developed open-vocabulary (OV) based methods succeed in exploiting such information of image-text pairs in object detection, and achieve impressive performance. Inspired by the success of OV-based methods, we propose a novel open-vocabulary framework, named multi-modal knowledge transfer (MKT), for multi-label classification. Specifically, our method exploits multi-modal knowledge of image-text pairs based on a vision and language pre-training (VLP) model. To facilitate transferring the image-text matching ability of VLP model, knowledge distillation is employed to guarantee the consistency of image and label embeddings, along with prompt tuning to further update the label embeddings. To further enable the recognition of multiple objects, a simple but effective two-stream module is developed to capture both local and global features. Extensive experimental results show that our method significantly outperforms state-of-the-art methods on public benchmark datasets.

Open-Vocabulary Multi-Label Classification via Multi-Modal Knowledge Transfer

The rapid development of single-cell RNA sequencing (scRNA-seq) technology allows us to study gene expression heterogeneity at the cellular level. Cell annotation is the basis for subsequent downstream analysis in single-cell data mining. Existing methods rarely explore the fine-grained semantic knowledge of novel cell types absent from the reference data and usually susceptible to batch effects on the classification of seen cell types.
Taking into consideration these limitations, this paper proposes a new and practical task called generalized cell type annotation and discovery for scRNA-seq data. In this task, cells of seen cell types are given class labels, while cells of novel cell types are given cluster labels instead of a unified “unassigned” label. To address this problem, we carefully design a comprehensive evaluation benchmark and propose a novel end-to-end algorithm framework called scGAD. Specifically, scGAD first builds the intrinsic correspondence across the reference and target data by retrieving the geometrically and semantically mutual nearest neighbors as anchor pairs. Then we introduce an anchor-based self-supervised learning module with a connectivity-aware attention mechanism to facilitate model prediction capability on unlabeled target data. To enhance the inter-type separation and intra-type compactness, we further propose a confidential prototypical self-supervised learning module to uncover the consensus category structure of the reference and target data. Extensive results on massive real datasets demonstrate the superiority of scGAD over various state-of-the-art clustering and annotation methods. 

Generalized Cell Type Annotation and Discovery for Single-cell RNA-seq Data

Safety comes first in many real-world applications involving autonomous agents. Despite a large number of reinforcement learning (RL) methods focusing on safety-critical tasks, there is still a lack of high-quality evaluation of those algorithms that adheres to safety constraints at each decision step under complex and unknown dynamics. In this paper, we revisit prior work in this scope from the perspective of state-wise safe RL and categorize them as projection-based, recovery-based, and optimization-based approaches, respectively.  Furthermore, we propose Unrolling Safety Layer (USL), a joint method that combines safety optimization and safety projection. This novel technique explicitly enforces hard constraints via the deep unrolling architecture and enjoys structural advantages in navigating the trade-off between reward improvement and constraint satisfaction. To facilitate further research in this area,  we reproduce related algorithms in a unified pipeline and incorporate them into SafeRL-Kit, a toolkit that provides off-the-shelf interfaces and evaluation utilities for safety-critical tasks. We then perform a comparative study of the involved algorithms on six benchmarks ranging from robotic control to autonomous driving. The empirical results provide an insight into their applicability and robustness in learning zero-cost-return policies without task-dependent handcrafting. The project page is available at \url{https://sites.google.com/view/saferlkit}.

Evaluating Model-free Reinforcement Learning toward Safety-critical Tasks

Generating human mobility trajectories is of great importance to solve the lack of large-scale trajectory data in numerous applications, which is caused by privacy concerns. However, existing mobility trajectory generation methods still require real-world human trajectories centrally collected as the training data, where there exists an inescapable risk of privacy leakage. To overcome this limitation, in this paper, we propose PateGail, a privacy-preserving imitation learning model to generate mobility trajectories, which utilizes the powerful generative adversary imitation learning (GAIL) model to simulate the decision-making process of humans. Further, in order to protect user privacy, we train this model collectively based on decentralized mobility data stored in user devices, where personal discriminators are trained locally to distinguish and reward the real and generated human trajectories. In the training process, only the generated trajectories and their rewards obtained based on personal discriminators are shared between the server and devices, whose privacy is further preserved by our proposed perturbation mechanisms with theoretical proof to satisfy differential privacy. Further, to better model the human decision-making process, we propose a novel aggregation mechanism of the rewards obtained from personal discriminators. We theoretically prove that under the reward obtained based on the aggregation mechanism, our proposed model maximizes the lower bound of the discounted total rewards of users. Extensive experiments show that the trajectories generated by our model are able to resemble real-world trajectories in terms of five key statistical metrics, outperforming state-of-the-art algorithms by over 38.19%. Furthermore, we demonstrate that the synthetic trajectories are able to efficiently support practical applications, including mobility prediction and location recommendation.

CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials.

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