United States

Normalizing flows have been successfully modeling a complex probability distribution as an invertible transformation of a simple base distribution. However, there are often applications that require more than invertibility. For instance, the computation of energies and forces in physics requires the second derivatives of the transformation to be well-defined and continuous. Smooth normalizing flows employ infinitely differentiable transformation, but with the price of slow non-analytic inverse transforms. In this work, we propose diffeomorphic non-uniform B-spline flows that are at least twice continuously differentiable while bi-Lipschitz continuous, enabling efficient parametrization while retaining analytic inverse transforms based on a sufficient condition for diffeomorphism. Firstly, we investigate the sufficient condition for C(k-2)-diffeomorphic non-uniform kth-order B-spline transformations. Then, we derive an analytic inverse transformation of the non-uniform cubic B-spline transformation for neural diffeomorphic non-uniform B-spline flows. Lastly, we performed experiments on solving the force matching problem in Boltzmann generators, demonstrating that our C2-diffeomorphic non-uniform B-spline flows yielded solutions better than previous spline flows and faster than smooth normalizing flows. Our source code is publicly available at https://github.com/smhongok/Non-uniform-B-spline-Flow.

AAAI 2023

Neural Diffeomorphic Non-Uniform B-Spline Flows

ru: uncertainty representations

ml: probabilistic methods

ru: stochastic models & probabilistic inference

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. 
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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

  Unsupervised Domain Adaptation (UDA) methods can reduce label dependency by mitigating the feature discrepancy between labeled samples in a source domain and unlabeled samples in a similar yet shifted target domain. Though achieving good performance, these methods are inapplicable for Multivariate Time-Series (MTS) data. MTS data are collected from multiple sensors, each of which follows various distributions. However, most UDA methods solely focus on aligning global features but cannot consider the distinct distributions of each sensor. To cope with such concerns, a practical domain adaptation scenario is formulated as Multivariate Time-Series Unsupervised Domain Adaptation (MTS-UDA). In this paper, we propose SEnsor Alignment (SEA) for MTS-UDA to reduce the domain discrepancy at both the local and global sensor levels. At the local sensor level, we design the endo-feature alignment to align sensor features and their correlations across domains, whose information represents the features of each sensor and the interactions between sensors. Further, to reduce domain discrepancy at the global sensor level, we design the exo-feature alignment to enforce restrictions on the global sensor features. Meanwhile, MTS also incorporates the essential spatial-temporal dependencies information between sensors, which cannot be transferred by existing UDA methods. Therefore, we model the spatial-temporal information of MTS with a multi-branch self-attention mechanism for simple and effective transfer across domains. Empirical results demonstrate the state-of-the-art performance of our proposed SEA on two public MTS datasets for MTS-UDA.


SEnsor Alignment for Multivariate Time-Series Unsupervised Domain Adaptation

    Heuristic search is a powerful approach that has successfully been applied to a broad class of planning problems, including classical planning, multi-objective planning, and probabilistic planning modelled as a stochastic shortest path (SSP) problem. Here, we extend the reach of heuristic search to a more expressive class of problems, namely multi-objective stochastic shortest paths (MOSSPs), which require computing a coverage set of non-dominated policies.  We design new heuristic search algorithms MOLAO* and MOLRTDP, which extend well-known SSP algorithms to the multi-objective case. We further construct a spectrum of domain-independent heuristic functions differing in their ability to take into account the stochastic and multi-objective features of the problem to guide the search. Our experiments demonstrate the benefits of these algorithms and the relative merits of the heuristics.

Heuristic Search for Multi-Objective Probabilistic Planning

Graph neural networks (GNNs) are popular weapons for modeling relational data. Existing GNNs are not specified for attribute-incomplete graphs, making missing attribute imputation a burning issue. Until recently, many works notice that GNNs are coupled with spectral concentration, which means the spectrum obtained by GNNs concentrates on a local part in spectral domain, e.g., low-frequency due to oversmoothing issue. As a consequence, GNNs may be seriously flawed for reconstructing graph attributes as graph spectral concentration tends to cause a low imputation precision. In this work, we present a regularized graph autoencoder for graph attribute imputation, named MEGAE, which aims at mitigating spectral concentration problem by maximizing the graph spectral entropy. Notably, we first present the method for estimating graph spectral entropy without the eigen-decomposition of Laplacian matrix and provide the theoretical upper error bound. A maximum entropy regularization then acts in the latent space, which directly increases the graph spectral entropy. Extensive experiments show that MEGAE outperforms all the other state-of-the-art imputation methods on a variety of benchmark datasets.

Handling Missing Data via Max-Entropy Regularized Graph Autoencoder

Frame Semantic Role Labeling (FSRL) identifies arguments and labels them with frame semantic roles defined in FrameNet. Previous researches tend to divide FSRL into argument identification and role classification. Such methods usually model role classification as naive multi-class classification and treat arguments individually, which neglects label semantics and interactions between arguments and thus hindering performance and generalization of models. In this paper, we propose a query-based framework named ArGument Extractor with Definitions in FrameNet (AGED) to mitigate these problems. Definitions of frames and frame elements (FEs) in FrameNet can be used to query arguments in text. Encoding text-definition pairs can guide models in learning label semantics and strengthening argument interactions. Experiments show that AGED outperforms previous state-of-the-art by up to 1.3 F1-score in two FrameNet datasets and the generalization power of AGED in zero-shot and fewshot scenarios. Our code and technical appendix is available at https://github.com/PKUnlp-icler/AGED.

Query Your Model with Definitions in FrameNet: An Effective Method for Frame Semantic Role Labeling

We develop a network of Bayesian agents that collectively model the mental states of teammates from the observed communication. Using a generative computational approach to cognition, we make two contributions. First, we show that our agent could generate interventions that improve the collective intelligence of a human-AI team beyond what humans alone would achieve. Second, we develop a real-time measure of human's theory of mind ability and test theories about human cognition. We use data collected from an online experiment in which 145 individuals in 29 human-only teams of five communicate through a chat-based system to solve a cognitive task. We find that humans (a) struggle to fully integrate information from teammates into their decisions, especially when communication load is high, and (b) have cognitive biases which lead them to underweight certain useful, but ambiguous, information. Our theory of mind ability measure predicts both individual- and team-level performance. Observing teams' first 25% of messages explains about 8% of the variation in final team performance, a 170% improvement compared to the current state of the art.

Collective Intelligence In Human-AI Teams: A Bayesian Theory of Mind Approach

Recent work on interpretability has focused on concept-based explanations, where deep learning models are explained in terms of high-level units of information, referred to as concepts. Concept learning models, however, have been shown to be prone to encoding impurities in their representations, failing to fully capture meaningful features of their inputs. While concept learning lacks metrics to measure such phenomena, the field of disentanglement learning has explored the related notion of underlying factors of variation in the data, with plenty of metrics to measure the purity of such factors. In this paper, we show that such metrics are not appropriate for concept learning and propose novel metrics for evaluating the purity of concept representations in both approaches. We show the advantage of these metrics over existing ones and demonstrate their utility in evaluating the robustness of concept representations and interventions performed on them. In addition, we show their utility for benchmarking state-of-the-art methods from both families and find that, contrary to common assumptions, supervision alone may not be sufficient for pure concept representations.

Towards Robust Metrics for Concept Representation Evaluation

To train a model in a traditional supervised learning classification system for natural language processing (NLP) tasks, it is essential to have labeled data, which is not present in large amounts for many tasks. Prompt-based learning methods attempt to combat the supervised learning need for labeled data by directly adapting pre-trained language models and modeling the probability of text itself. In this paper, we propose a novel data-agnostic strategy for prompt-based fine-tuning that leverages feature moments (a.k.a., mean and standard deviation) as a data augmentation technique and employs training dynamics (i.e., confidence and variability) to allow more informative samples to be concatenated for generating demonstrations as input context. Our approach is a strong method for few-shot learning that forces the language model to pay special attention to the feature moments and allows more informative samples to be concatenated for generating demonstrations as input context by selecting high confidence and low variance samples. To demonstrate its effectiveness given limited training data, we conduct extensive experiments in different few-shot settings on three empathy and emotion classification datasets (from various domains).  We further evaluate our method's robustness by introducing noise to our few-shot input data and labels and show that exchanging moments between samples and incorporating cartography-based demonstrations are beneficial when the available data is limited and noisy.

Feature Normalization and Cartography-based Demonstrations for Prompt-based Fine-tuning on Emotion-related Tasks

Hyper-heuristics are a domain-independent problem solving approach where the main task is to select effective chains of problem-specific low-level heuristics on the fly for an unseen instance. This task can be seen as a reinforcement learning problem, however, the information available to the hyper-heuristic is very limited, usually leading to very limited state representations. In this work, for the first time we use the trajectory of solution changes for a larger set of features for reinforcement learning in the novel hyper-heuristic LAST-RL (Large-State Reinforcement Learning). Further, we introduce a probability distribution for the exploration case in our epsilon-greedy policy that is based on the idea of Iterated Local Search to increase the chance to sample good chains of low-level heuristics. The benefit of the collaboration of our novel components is shown on the academic benchmark of the Cross Domain Heuristic Challenge 2011 consisting of six different problem domains. Our approach can provide state-of-the-art results on this benchmark where it outperforms recent hyper-heuristics based on reinforcement learning, and also demonstrates high performance on a benchmark of complex real-life personnel scheduling domains.

Large-State Reinforcement Learning for Hyper-Heuristics

Knowledge distillation (KD) is a promising teacher-student learning paradigm that transfers information from a cumbersome teacher to a student network. To avoid the training cost of a large teacher network, the recent studies propose to distill knowledge from the student itself, called Self-KD. However, due to the limitations of the performance and capacity of the student, the soft-labels or features distilled by the student barely provide reliable guidance. Moreover, most of the Self-KD algorithms are specific to classification tasks based on soft-labels, and not suitable for semantic segmentation. To alleviate these contradictions, we revisit the label and feature distillation problem in segmentation, and propose Self-Decoupling and Ensemble Distillation for Efficient Segmentation (SDES). Specifically, we design a decoupled prediction ensemble distillation (DPED) algorithm that generates reliable soft-labels with multiple expert decoders, and a decoupled feature ensemble distillation (DFED) mechanism to utilize more important channel-wise feature maps for encoder learning. The extensive experiments on three public segmentation datasets demonstrate the superiority of our approach and the efficacy of each component in the framework through the ablation study.

Self-Decoupling and Ensemble Distillation for Efficient Segmentation

We study the problem of training a principal in a multi-agent general-sum game using reinforcement learning (RL). Learning a robust principal policy requires anticipating the worst possible strategic responses of other agents, which is generally NP-hard. However, we show that no-regret dynamics can identify these worst-case responses in poly-time in smooth games. We propose a framework that uses this policy evaluation method for efficiently learning a robust principal policy using RL. This framework can be extended to provide robustness to boundedly rational agents too. Our motivating application is automated mechanism design: we empirically demonstrate our framework learns robust mechanisms in both matrix games and complex spatiotemporal games. In particular, we learn a dynamic tax policy that improves the welfare of a simulated trade-and-barter economy by 15%, even when facing previously unseen boundedly rational RL taxpayers.

Neural Diffeomorphic Non-Uniform B-Spline Flows

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