pwc-archive/papers-with-abstracts huggingface dataset:
A Nonstochastic Control Approach to Optimization
Authors: Xinyi Chen, Elad Hazan
Date: 2023-01-19 00:00:00

Selecting the best hyperparameters for a particular optimization instance, such as the learning rate and momentum, is an important but nonconvex problem. As a result, iterative optimization methods such as hypergradient descent lack global optimality guarantees in general. We propose an online nonstochastic control methodology for mathematical optimization. First, we formalize the setting of meta-optimization, an online learning formulation of learning the best optimization algorithm from a class of methods. The meta-optimization problem over gradient-based methods can be framed as a feedback control problem over the choice of hyperparameters, including the learning rate, momentum, and the preconditioner. Although the original optimal control problem is nonconvex, we show how recent methods from online nonstochastic control using convex relaxations can be used to overcome the challenge of nonconvexity, and obtain regret guarantees against the best offline solution. This guarantees that in meta-optimization, given a sequence of optimization problems, we can learn a method that attains convergence comparable to that of the best optimization method in hindsight from a class of methods.
Mathematical analysis of singularities in the diffusion model under the submanifold assumption
Authors: Yubin Lu, Zhongjian Wang, Guillaume Bal
Date: 2023-01-19 00:00:00

This paper concerns the mathematical analyses of the diffusion model in machine learning. The drift term of the backward sampling process is represented as a conditional expectation involving the data distribution and the forward diffusion. The training process aims to find such a drift function by minimizing the mean-squared residue related to the conditional expectation. Using small-time approximations of the Green's function of the forward diffusion, we show that the analytical mean drift function in DDPM and the score function in SGM asymptotically blow up in the final stages of the sampling process for singular data distributions such as those concentrated on lower-dimensional manifolds, and are therefore difficult to approximate by a network. To overcome this difficulty, we derive a new target function and associated loss, which remains bounded even for singular data distributions. We validate the theoretical findings with several numerical examples.
Suboptimality analysis of receding horizon quadratic control with unknown linear systems and its applications in learning-based control
Authors: Shengling Shi, Anastasios Tsiamis, Bart De Schutter
Date: 2023-01-19 00:00:00
Tasks: Prediction

This work analyzes how the trade-off between the modeling error, the terminal value function error, and the prediction horizon affects the performance of a nominal receding-horizon linear quadratic (LQ) controller. By developing a novel perturbation result of the Riccati difference equation, a novel performance upper bound is obtained and suggests that for many cases, the prediction horizon can be either one or infinity to improve the control performance, depending on the relative difference between the modeling error and the terminal value function error. The result also shows that when an infinite horizon is desired, a finite prediction horizon that is larger than the controllability index can be sufficient for achieving a near-optimal performance, revealing a close relation between the prediction horizon and controllability. The obtained suboptimality performance bound is applied to provide novel sample complexity and regret guarantees for nominal receding-horizon LQ controllers in a learning-based setting. We show that an adaptive prediction horizon that increases as a logarithmic function of time is beneficial for regret minimization.
Discover governing differential equations from evolving systems
Authors: Yuanyuan Li, Kai Wu, Jing Liu
Date: 2023-01-19 00:00:00

Discovering the governing equations of evolving systems from available observations is essential and challenging. In this paper, we consider a new scenario: discovering governing equations from streaming data. Current methods struggle to discover governing differential equations with considering measurements as a whole, leading to failure to handle this task. We propose an online modeling method capable of handling samples one by one sequentially by modeling streaming data instead of processing the entire dataset. The proposed method performs well in discovering ordinary differential equations (ODEs) and partial differential equations (PDEs) from streaming data. Evolving systems are changing over time, which invariably changes with system status. Thus, finding the exact change points is critical. The measurement generated from a changed system is distributed dissimilarly to before; hence, the difference can be identified by the proposed method. Our proposal is competitive in identifying the change points and discovering governing differential equations in three hybrid systems and two switching linear systems.
FE-TCM: Filter-Enhanced Transformer Click Model for Web Search
Authors: Yingfei Wang, Jianping Liu, Jian Wang, XiaoFeng Wang, Meng Wang, Xintao Chu
Date: 2023-01-19 00:00:00

Constructing click models and extracting implicit relevance feedback information from the interaction between users and search engines are very important to improve the ranking of search results. Using neural network to model users' click behaviors has become one of the effective methods to construct click models. In this paper, We use Transformer as the backbone network of feature extraction, add filter layer innovatively, and propose a new Filter-Enhanced Transformer Click Model (FE-TCM) for web search. Firstly, in order to reduce the influence of noise on user behavior data, we use the learnable filters to filter log noise. Secondly, following the examination hypothesis, we model the attraction estimator and examination predictor respectively to output the attractiveness scores and examination probabilities. A novel transformer model is used to learn the deeper representation among different features. Finally, we apply the combination functions to integrate attractiveness scores and examination probabilities into the click prediction. From our experiments on two real-world session datasets, it is proved that FE-TCM outperforms the existing click models for the click prediction.
Concept Discovery for Fast Adapatation
Authors: Shengyu Feng, Hanghang Tong
Date: 2023-01-19 00:00:00
Tasks: Few-Shot Learning, Meta-Learning

The advances in deep learning have enabled machine learning methods to outperform human beings in various areas, but it remains a great challenge for a well-trained model to quickly adapt to a new task. One promising solution to realize this goal is through meta-learning, also known as learning to learn, which has achieved promising results in few-shot learning. However, current approaches are still enormously different from human beings' learning process, especially in the ability to extract structural and transferable knowledge. This drawback makes current meta-learning frameworks non-interpretable and hard to extend to more complex tasks. We tackle this problem by introducing concept discovery to the few-shot learning problem, where we achieve more effective adaptation by meta-learning the structure among the data features, leading to a composite representation of the data. Our proposed method Concept-Based Model-Agnostic Meta-Learning (COMAML) has been shown to achieve consistent improvements in the structured data for both synthesized datasets and real-world datasets.
ClusterLog: Clustering Logs for Effective Log-based Anomaly Detection
Authors: Chris Egersdoerfer, Dong Dai, Di Zhang
Date: 2023-01-19 00:00:00
Tasks: Anomaly Detection, Clustering, Semantic Similarity, Semantic Textual Similarity

With the increasing prevalence of scalable file systems in the context of High Performance Computing (HPC), the importance of accurate anomaly detection on runtime logs is increasing. But as it currently stands, many state-of-the-art methods for log-based anomaly detection, such as DeepLog, have encountered numerous challenges when applied to logs from many parallel file systems (PFSes), often due to their irregularity and ambiguity in time-based log sequences. To circumvent these problems, this study proposes ClusterLog, a log pre-processing method that clusters the temporal sequence of log keys based on their semantic similarity. By grouping semantically and sentimentally similar logs, this approach aims to represent log sequences with the smallest amount of unique log keys, intending to improve the ability of a downstream sequence-based model to effectively learn the log patterns. The preliminary results of ClusterLog indicate not only its effectiveness in reducing the granularity of log sequences without the loss of important sequence information but also its generalizability to different file systems' logs.
Spatio-temporal neural structural causal models for bike flow prediction
Authors: Pan Deng, Yu Zhao, Junting Liu, Xiaofeng Jia, Mulan Wang
Date: 2023-01-19 00:00:00
Tasks: counterfactual, Prediction, Traffic Prediction

As a representative of public transportation, the fundamental issue of managing bike-sharing systems is bike flow prediction. Recent methods overemphasize the spatio-temporal correlations in the data, ignoring the effects of contextual conditions on the transportation system and the inter-regional timevarying causality. In addition, due to the disturbance of incomplete observations in the data, random contextual conditions lead to spurious correlations between data and features, making the prediction of the model ineffective in special scenarios. To overcome this issue, we propose a Spatio-temporal Neural Structure Causal Model(STNSCM) from the perspective of causality. First, we build a causal graph to describe the traffic prediction, and further analyze the causal relationship between the input data, contextual conditions, spatiotemporal states, and prediction results. Second, we propose to apply the frontdoor criterion to eliminate confounding biases in the feature extraction process. Finally, we propose a counterfactual representation reasoning module to extrapolate the spatio-temporal state under the factual scenario to future counterfactual scenarios to improve the prediction performance. Experiments on real-world datasets demonstrate the superior performance of our model, especially its resistance to fluctuations caused by the external environment. The source code and data will be released.
Augmenting a Physics-Informed Neural Network for the 2D Burgers Equation by Addition of Solution Data Points
Authors: Marlon Sproesser Mathias, Wesley Pereira de Almeida, Marcel Rodrigues de Barros, Jefferson Fialho Coelho, Lucas Palmiro de Freitas, Felipe Marino Moreno, Caio Fabricio Deberaldini Netto, Fabio Gagliardi Cozman, Anna Helena Reali Costa, Eduardo Aoun Tannuri, Edson Satoshi Gomi, Marcelo Dottori
Date: 2023-01-18 00:00:00

We implement a Physics-Informed Neural Network (PINN) for solving the two-dimensional Burgers equations. This type of model can be trained with no previous knowledge of the solution; instead, it relies on evaluating the governing equations of the system in points of the physical domain. It is also possible to use points with a known solution during training. In this paper, we compare PINNs trained with different amounts of governing equation evaluation points and known solution points. Comparing models that were trained purely with known solution points to those that have also used the governing equations, we observe an improvement in the overall observance of the underlying physics in the latter. We also investigate how changing the number of each type of point affects the resulting models differently. Finally, we argue that the addition of the governing equations during training may provide a way to improve the overall performance of the model without relying on additional data, which is especially important for situations where the number of known solution points is limited.
On the limits of neural network explainability via descrambling
Authors: Shashank Sule, Richard G. Spencer, Wojciech Czaja
Date: 2023-01-18 00:00:00
Tasks: Graph Matching, Operator learning

We characterize the exact solutions to neural network descrambling--a mathematical model for explaining the fully connected layers of trained neural networks (NNs). By reformulating the problem to the minimization of the Brockett function arising in graph matching and complexity theory we show that the principal components of the hidden layer preactivations can be characterized as the optimal explainers or descramblers for the layer weights, leading to descrambled weight matrices. We show that in typical deep learning contexts these descramblers take diverse and interesting forms including (1) matching largest principal components with the lowest frequency modes of the Fourier basis for isotropic hidden data, (2) discovering the semantic development in two-layer linear NNs for signal recovery problems, and (3) explaining CNNs by optimally permuting the neurons. Our numerical experiments indicate that the eigendecompositions of the hidden layer data--now understood as the descramblers--can also reveal the layer's underlying transformation. These results illustrate that the SVD is more directly related to the explainability of NNs than previously thought and offers a promising avenue for discovering interpretable motifs for the hidden action of NNs, especially in contexts of operator learning or physics-informed NNs, where the input/output data has limited human readability.
Federated Automatic Differentiation
Authors: Keith Rush, Zachary Charles, Zachary Garrett
Date: 2023-01-18 00:00:00
Tasks: FAD, Federated Learning, Privacy Preserving

Federated learning (FL) is a general framework for learning across an axis of group partitioned data (heterogeneous clients) while preserving data privacy, under the orchestration of a central server. FL methods often compute gradients of loss functions purely locally (ie. entirely at each client, or entirely at the server), typically using automatic differentiation (AD) techniques. We propose a federated automatic differentiation (FAD) framework that 1) enables computing derivatives of functions involving client and server computation as well as communication between them and 2) operates in a manner compatible with existing federated technology. In other words, FAD computes derivatives across communication boundaries. We show, in analogy with traditional AD, that FAD may be implemented using various accumulation modes, which introduce distinct computation-communication trade-offs and systems requirements. Further, we show that a broad class of federated computations is closed under these various modes of FAD, implying in particular that if the original computation can be implemented using privacy-preserving primitives, its derivative may be computed using only these same primitives. We then show how FAD can be used to create algorithms that dynamically learn components of the algorithm itself. In particular, we show that FedAvg-style algorithms can exhibit significantly improved performance by using FAD to adjust the server optimization step automatically, or by using FAD to learn weighting schemes for computing weighted averages across clients.
HCE: Improving Performance and Efficiency with Heterogeneously Compressed Neural Network Ensemble
Authors: Jingchi Zhang, Huanrui Yang, Hai Li
Date: 2023-01-18 00:00:00
Tasks: Diversity, Ensemble Learning, Model Compression, Quantization

Ensemble learning has gain attention in resent deep learning research as a way to further boost the accuracy and generalizability of deep neural network (DNN) models. Recent ensemble training method explores different training algorithms or settings on multiple sub-models with the same model architecture, which lead to significant burden on memory and computation cost of the ensemble model. Meanwhile, the heurtsically induced diversity may not lead to significant performance gain. We propose a new prespective on exploring the intrinsic diversity within a model architecture to build efficient DNN ensemble. We make an intriguing observation that pruning and quantization, while both leading to efficient model architecture at the cost of small accuracy drop, leads to distinct behavior in the decision boundary. To this end, we propose Heterogeneously Compressed Ensemble (HCE), where we build an efficient ensemble with the pruned and quantized variants from a pretrained DNN model. An diversity-aware training objective is proposed to further boost the performance of the HCE ensemble. Experiemnt result shows that HCE achieves significant improvement in the efficiency-accuracy tradeoff comparing to both traditional DNN ensemble training methods and previous model compression methods.
Automated deep reinforcement learning for real-time scheduling strategy of multi-energy system integrated with post-carbon and direct-air carbon captured system
Authors: Tobi Michael Alabi, Nathan P. Lawrence, Lin Lu, Zaiyue Yang, R. Bhushan Gopaluni
Date: 2023-01-18 00:00:00
Tasks: Deep Reinforcement Learning, Scheduling

The carbon-capturing process with the aid of CO2 removal technology (CDRT) has been recognised as an alternative and a prominent approach to deep decarbonisation. However, the main hindrance is the enormous energy demand and the economic implication of CDRT if not effectively managed. Hence, a novel deep reinforcement learning agent (DRL), integrated with an automated hyperparameter selection feature, is proposed in this study for the real-time scheduling of a multi-energy system coupled with CDRT. Post-carbon capture systems (PCCS) and direct-air capture systems (DACS) are considered CDRT. Various possible configurations are evaluated using real-time multi-energy data of a district in Arizona and CDRT parameters from manufacturers' catalogues and pilot project documentation. The simulation results validate that an optimised soft-actor critic (SAC) algorithm outperformed the TD3 algorithm due to its maximum entropy feature. We then trained four (4) SAC agents, equivalent to the number of considered case studies, using optimised hyperparameter values and deployed them in real time for evaluation. The results show that the proposed DRL agent can meet the prosumers' multi-energy demand and schedule the CDRT energy demand economically without specified constraints violation. Also, the proposed DRL agent outperformed rule-based scheduling by 23.65%. However, the configuration with PCCS and solid-sorbent DACS is considered the most suitable configuration with a high CO2 captured-released ratio of 38.54, low CO2 released indicator value of 2.53, and a 36.5% reduction in CDR cost due to waste heat utilisation and high absorption capacity of the selected sorbent. However, the adoption of CDRT is not economically viable at the current carbon price. Finally, we showed that CDRT would be attractive at a carbon price of 400-450USD/ton with the provision of tax incentives by the policymakers.
Leveraging generative adversarial networks to create realistic scanning transmission electron microscopy images
Authors: Abid Khan, Chia-Hao Lee, Pinshane Y. Huang, Bryan K. Clark
Date: 2023-01-18 00:00:00
Tasks: Generative Adversarial Network

The rise of automation and machine learning (ML) in electron microscopy has the potential to revolutionize materials research through autonomous data collection and processing. A significant challenge lies in developing ML models that rapidly generalize to large data sets under varying experimental conditions. We address this by employing a cycle generative adversarial network (CycleGAN) with a reciprocal space discriminator, which augments simulated data with realistic spatial frequency information. This allows the CycleGAN to generate images nearly indistinguishable from real data and provide labels for ML applications. We showcase our approach by training a fully convolutional network (FCN) to identify single atom defects in a 4.5 million atom data set, collected using automated acquisition in an aberration-corrected scanning transmission electron microscope (STEM). Our method produces adaptable FCNs that can adjust to dynamically changing experimental variables with minimal intervention, marking a crucial step towards fully autonomous harnessing of microscopy big data.
JCSE: Contrastive Learning of Japanese Sentence Embeddings and Its Applications
Authors: Zihao Chen, Hisashi Handa, Kimiaki Shirahama
Date: 2023-01-19 00:00:00
Tasks: Contrastive Learning, Domain Adaptation, Information Retrieval, Language Modelling, Representation Learning, Retrieval, Semantic Textual Similarity, Sentence, Sentence Embeddings, STS, STS Benchmark

Contrastive learning is widely used for sentence representation learning. Despite this prevalence, most studies have focused exclusively on English and few concern domain adaptation for domain-specific downstream tasks, especially for low-resource languages like Japanese, which are characterized by insufficient target domain data and the lack of a proper training strategy. To overcome this, we propose a novel Japanese sentence representation framework, JCSE (derived from ``Contrastive learning of Sentence Embeddings for Japanese''), that creates training data by generating sentences and synthesizing them with sentences available in a target domain. Specifically, a pre-trained data generator is finetuned to a target domain using our collected corpus. It is then used to generate contradictory sentence pairs that are used in contrastive learning for adapting a Japanese language model to a specific task in the target domain. Another problem of Japanese sentence representation learning is the difficulty of evaluating existing embedding methods due to the lack of benchmark datasets. Thus, we establish a comprehensive Japanese Semantic Textual Similarity (STS) benchmark on which various embedding models are evaluated. Based on this benchmark result, multiple embedding methods are chosen and compared with JCSE on two domain-specific tasks, STS in a clinical domain and information retrieval in an educational domain. The results show that JCSE achieves significant performance improvement surpassing direct transfer and other training strategies. This empirically demonstrates JCSE's effectiveness and practicability for downstream tasks of a low-resource language.
Language Embeddings Sometimes Contain Typological Generalizations
Authors: Robert Östling, Murathan Kurfali
Date: 2023-01-19 00:00:00
Tasks: Multilingual Word Embeddings, Word Embeddings

To what extent can neural network models learn generalizations about language structure, and how do we find out what they have learned? We explore these questions by training neural models for a range of natural language processing tasks on a massively multilingual dataset of Bible translations in 1295 languages. The learned language representations are then compared to existing typological databases as well as to a novel set of quantitative syntactic and morphological features obtained through annotation projection. We conclude that some generalizations are surprisingly close to traditional features from linguistic typology, but that most of our models, as well as those of previous work, do not appear to have made linguistically meaningful generalizations. Careful attention to details in the evaluation turns out to be essential to avoid false positives. Furthermore, to encourage continued work in this field, we release several resources covering most or all of the languages in our data: (i) multiple sets of language representations, (ii) multilingual word embeddings, (iii) projected and predicted syntactic and morphological features, (iv) software to provide linguistically sound evaluations of language representations.