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Recent development of deep neural networks (DNNs) for tabular learning has largely benefited from the capability of DNNs for automatic feature interaction. However, the heterogeneity nature of tabular features makes such features relatively independent, and developing effective methods to promote tabular feature interaction still remains an open problem. In this paper, we propose a novel Graph Estimator, which automatically estimates the relations among tabular features and builds graphs by assigning edges between related features. Such relation graphs organize independent tabular features into a kind of graph data such that interaction of nodes (tabular features) can be conducted in an orderly fashion. Based on our proposed Graph Estimator, we present a bespoke Transformer network tailored for tabular learning, called T2G-Former, which processes tabular data by performing tabular feature interaction guided by the relation graphs. A specific Cross-level Readout collects salient features predicted by the layers in T2G-Former across different levels, and attains global semantics for final prediction. Comprehensive experiments show that our T2G-Former achieves superior performance among DNNs and is competitive with non-deep Gradient Boosted Decision Tree models.

AAAI 2023

T2G-Former: Organizing Tabular Features into Relation Graphs Promotes Heterogeneous Feature Interaction

dmkm: applications

ml: classification and regression

ml: deep neural architectures

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).

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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.

poster

Existing lifting networks for regressing 3D human poses from 2D single-view poses are typically constructed with linear layers based on graph-structured representation learning. In sharp contrast to them, this paper presents Grid Convolution (GridConv), mimicking the wisdom of regular convolution operations in image space. GridConv is based on a novel Semantic Grid Transformation (SGT) which leverages a binary assignment matrix to map the irregular graph-structured human pose onto a regular weave-like grid pose representation joint by joint, enabling layer-wise feature learning with GridConv operations. We provide two ways to implement SGT, including handcrafted and learnable designs. Surprisingly, both designs turn out to achieve promising results and the learnable one is better, demonstrating the great potential of this new lifting representation learning formulation. To improve the ability of GridConv to encode contextual cues, we introduce an attention module over the convolutional kernel, making grid convolution operations input-dependent, spatial-aware and grid-specific. We show that our fully convolutional grid lifting network outperforms state-of-the-art methods with noticeable margins under (1) conventional evaluation on Human3.6M and (2) cross-evaluation on MPI-INF-3DHP. Code is available at https://github.com/OSVAI/GridConv.

3D Human Pose Lifting with Grid Convolution

Molecular representation learning is a fundamental problem in the field of drug discovery and molecular science. Whereas incorporating molecular 3D information in the representations of molecule seems beneficial, which is related to computational chemistry with the basic task of predicting stable 3D structures (conformations) of molecules. Existing machine learning methods either rely on 1D and 2D molecular properties or simulate molecular force field to use additional 3D structure information via Hamiltonian network. The former has the disadvantage of ignoring important 3D structure features, while the latter has the disadvantage that existing Hamiltonian neural network must satisfy the “canonial” constraint, which is difficult to be obeyed in many cases. In this paper, we propose a novel plug-and-play architecture LagNet by simulating molecular force field only with parameterized position coordinates, which implements Lagrangian mechanics to learn molecular representation by preserving 3D conformation without obeying any additional restrictions. LagNet is designed to generate known conformations and generalize for unknown ones from molecular SMILES. Implicit positions in LagNet are learned iteratively using discrete-time Lagrangian equations. Experimental results show that LagNet can well learn 3D molecular structure features, and outperforms previous state-of-the-art baselines related molecular representation by a significant margin.

LagNet: Deep Lagrangian Mechanics for Plug-and-Play Molecular Representation Learning

Hashing has been widely researched to solve the large-scale approximate nearest neighbor search problem owing to its time and storage superiority. In recent years, a number of online hashing methods have emerged, which can update the hash functions to adapt to the new stream data and realize dynamic  retrieval. However, existing online hashing methods are required to update the whole database with the latest hash functions when a query arrives, which leads to low retrieval efficiency with the continuous increase of the stream data. On the other hand, these methods ignore the supervision relationship among the examples, especially in the multi-label case. In this paper, we propose a novel Fast Online Hashing (FOH) method which only updates the binary codes of a small part of the database. To be specific, we first build a query pool in which the nearest neighbors of each central point are recorded. When a new query arrives, only the binary codes of the corresponding potential neighbors are updated. In addition, we create a similarity matrix which takes the multi-label supervision information into account and bring in the multi-label projection loss to further preserve the similarity among the multi-label data. The experimental results on two common benchmarks show that the proposed FOH can achieve dramatic superiority on query time up to 6.28 seconds less than state-of-the-art baselines with competitive retrieval accuracy.

Fast Online Hashing with Multi-Label Projection

Active Learning is an essential method for label-efficient deep learning. As a Bayesian active learning method, Bayesian Active Learning by Disagreement (BALD) successfully selects the most representative samples by maximizing the mutual information between the model prediction and model parameters. However, when applied to a batch acquisition mode, like batch construction with greedy search, BALD suffers from poor performance, especially with noises of near-duplicate data. To address this shortcoming, we propose a diverse beam search optimized batch active learning method, which explores a graph for every batch construction by expanding the highest-scored samples of a predetermined number. To avoid near duplicate beam branches (very similar beams generated from the same root and similar samples), which is undesirable for lacking diverse representations in the feature space, we design a self-adapted constraint within candidate beams. The proposed method is able to acquire data that can better represent the distribution of the unlabeled pool, and at the same time, be significantly different from existing beams. We observe that the proposed method achieves higher batch performance than the baseline methods on three benchmark datasets.

Beam Search Optimized Batch Bayesian Active Learning

Pretrained code language models have enabled great progress towards program synthesis. However, common approaches only consider in-file local context and thus miss information and constraints imposed by other parts of the codebase and its external dependencies. Existing code completion benchmarks also lack such context. To resolve these restrictions we curate a new dataset of permissively licensed Python packages that includes full projects and their dependencies and provide tools to extract non-local information with the help of program analyzers. We then focus on the task of function call argument completion which requires predicting the arguments to function calls. We show that existing code completion models do not yield good results on our completion task. To better solve this task, we query a program analyzer for information relevant to a given function call, and consider ways to provide the analyzer results to different code completion models during inference and training. Our experiments show that providing access to the function implementation and function usages greatly improves the argument completion performance. Our ablation study provides further insights on how different types of information available from the program analyzer and different ways of incorporating the information affect the model performance.

Better Context Makes Better Code Language Models: A Case Study on Function Call Argument Completion

In shilling attacks, an adversarial party injects a few fake user profiles into a Recommender System (RS) so that the target item can be promoted or demoted. Although much effort has been devoted to developing shilling attack methods, we find that existing approaches are still far from practical. In this paper, we analyze the properties a practical shilling attack method should have and propose a new concept of Cross-system Attack. With the idea of Cross-system Attack, we design a Practical Cross-system Shilling Attack (PC-Attack) framework that requires little information about the victim RS model and the target RS data for conducting attacks. PC-Attack is trained to capture graph topology knowledge from public RS data in a self-supervised manner. Then, it is fine-tuned on a small portion of target data that is easy to access to construct fake profiles. Extensive experiments have demonstrated the superiority of PC-Attack over state-of-the-art baselines. Our implementation of PC-Attack is available at https://github.com/KDEGroup/PC-Attack.

Practical Cross-system Shilling Attacks with Limited Access to Data

The conditional commitment abilities of mutually transparent computer agents have been studied in previous work on commitment games and program equilibrium. This literature has shown how these abilities can help resolve Prisoner’s Dilemmas and other failures of cooperation in complete information settings. But inefficiencies due to private information have been neglected thus far in this literature, despite the fact that these problems are pervasive and might also be addressed by greater mutual transparency. In this work, we introduce a framework for commitment games with a new kind of conditional commitment device, which agents can use to conditionally disclose private information. We prove a folk theorem for this setting that provides sufficient conditions for ex post efficiency, and thus represents a model of ideal cooperation between agents without a third-party mediator. Further, extending previous work on program equilibrium, we develop an implementation of conditional information disclosure. We show that this implementation forms program ε-Bayesian Nash equilibria corresponding to the Bayesian Nash equilibria of these commitment games.

Commitment Games with Conditional Information Disclosure

Zero-shot learning (ZSL) aims to predict unseen classes whose samples have never appeared during training. One of the most effective and widely used semantic information for zero-shot image classification are attributes which are annotations for class-level visual characteristics. However, the current methods often fail to discriminate those subtle visual distinctions between images due to not only the shortage of fine-grained annotations, but also the attribute imbalance and co-occurrence.  In this paper, we present a transformer-based end-to-end ZSL method named DUET, which integrates latent semantic knowledge from the pre-trained language models (PLMs) via a self-supervised multi-modal learning paradigm. Specifically, we (1) developed a cross-modal semantic grounding network to  investigate the model's capability of disentangling semantic attributes from the images; (2) applied an attribute-level contrastive learning strategy to further enhance the model's discrimination on fine-grained visual characteristics against the attribute co-occurrence and imbalance; (3) proposed a multi-task learning policy for considering multi-model objectives. We find that our DUET can achieve state-of-the-art performance on three standard ZSL benchmarks and a knowledge graph equipped ZSL benchmark. Its components are effective and its predictions are interpretable.

DUET: Cross-modal Semantic Grounding for Contrastive Zero-shot Learning

Parallel tempering (PT), also known as replica exchange, is the go-to workhorse for simulations of multi-modal distributions. The key to the success of PT is to adopt efficient swap schemes. The popular deterministic even-odd (DEO) scheme exploits the non-reversibility property and has successfully reduced the communication cost from $O(P^2)$ to $O(P)$ given sufficiently many $P$ chains. However, such an innovation largely disappears in big data due to the limited chains and few bias-corrected swaps. To handle this issue, we generalize the DEO scheme to promote non-reversibility and propose a few solutions to tackle the underlying bias caused by the geometric stopping time. Notably, in big data scenarios, we obtain an appealing communication cost $O(P\log P)$ based on the optimal window size. In addition, we also adopt stochastic gradient descent (SGD) with large and constant learning rates as exploration kernels. Such a user-friendly nature enables us to conduct approximation tasks for complex posteriors without much tuning costs.

Non-reversible Parallel Tempering for Deep Posterior Approximation

Dependency stochastic Boolean satisfiability (DSSAT) generalizes stochastic Boolean satisfiability (SSAT) in existential variables being Henkinized allowing their dependencies on randomized variables to be explicitly specified. It allows NEXPTIME problems of reasoning under uncertainty and partial information to be compactly encoded. To date, no decision procedure has been implemented for solving DSSAT formulas. This work provides the first such tool by converting DSSAT into SSAT with dependency elimination, similar to converting dependency quantified Boolean formula (DQBF) to quantified Boolean formula (QBF). Moreover, we extend (D)QBF preprocessing techniques and implement the first standalone (D)SSAT preprocessor. Experimental results show that solving DSSAT via dependency elimination is highly applicable and that existing SSAT solvers may benefit from preprocessing.

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T2G-Former: Organizing Tabular Features into Relation Graphs Promotes Heterogeneous Feature Interaction

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