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Kwang In Kim

We study the distributed gradient aggregation problem where individual clients contribute to learning a central model by sharing parameter gradients constructed from local losses. However, errors in some gradients, caused by low-quality data or adversaries, can degrade the learning process when naively combined. Existing robust gradient aggregation approaches assume that local data represent the global data-generating distribution, which may not always apply to heterogeneous (non-i.i.d.) client data. We propose a new algorithm that can robustly aggregate gradients from potentially heterogeneous clients. Our approach leverages the manifold structure inherent in heterogeneous client gradients and evaluates gradient anomaly degrees by projecting them onto this manifold. This algorithm is implemented as a simple and efficient method that accumulates random projections within the subspace defined by the nearest neighbors within a gradient cloud. Our experiments demonstrate consistent performance improvements over state-of-the-art robust aggregation algorithms.

Juyeop Kim, Junha Park, Songkuk Kim, Jong-Seok Lee

Neural networks with self-attention (a.k.a. Transformers) like ViT and Swin have emerged as a better alternative to traditional convolutional neural networks (CNNs). However, our understanding of how the new architecture works is still limited. In this paper, we focus on the phenomenon that Transformers show higher robustness against corruptions than CNNs, while not being overconfident. This is contrary to the intuition that robustness increases with confidence. We resolve this contradiction by empirically investigating how the output of the penultimate layer moves in the representation space as the input data moves linearly within a small area. In particular, we show the following. (1) While CNNs exhibit fairly linear relationship between the input and output movements, Transformers show nonlinear relationship for some data. For those data, the output of Transformers moves in a curved trajectory as the input moves linearly. (2) When a data is located in a curved region, it is hard to move it out of the decision region since the output moves along a curved trajectory instead of a straight line to the decision boundary, resulting in high robustness of Transformers. (3) If a data is slightly modified to jump out of the curved region, the movements afterwards become linear and the output goes to the decision boundary directly. In other words, there does exist a decision boundary near the data, which is hard to find only because of the curved representation space. This explains the underconfident prediction of Transformers. Also, we examine mathematical properties of the attention operation that induce nonlinear response to linear perturbation. Finally, we share our additional findings, regarding what contributes to the curved representation space of Transformers, and how the curvedness evolves during training.

Han-Byul Kim, Joo Hyung Lee, Sungjoo Yoo, Hong-Seok Kim

Mixed-precision quantization of efficient networks often suffer from activation instability encountered in the exploration of bit selections. To address this problem, we propose a novel method called MetaMix which consists of bit selection and weight training phases. The bit selection phase iterates two steps, (1) the mixed-precision-aware weight update, and (2) the bit-search training with the fixed mixed-precision-aware weights, both of which combined reduce activation instability in mixed-precision quantization and contribute to fast and high-quality bit selection. The weight training phase exploits the weights and step sizes trained in the bit selection phase and fine-tunes them thereby offering fast training. Our experiments with efficient and hard-to-quantize networks, i.e., MobileNet v2 and v3, and ResNet-18 on ImageNet show that our proposed method pushes the boundary of mixed-precision quantization, in terms of accuracy vs. operations, by outperforming both mixed- and single-precision SOTA methods.

Doyoung Kim, Dongmin Park, Yooju Shin, Jihwan Bang, Hwanjun Song, Jae-Gil Lee

We propose a novel framework DropTop that suppresses the shortcut bias in online continual learning (OCL) while being adaptive to the varying degree of the shortcut bias incurred by continuously changing environment. By the observed high-attention property of the shortcut bias, highly-activated features are considered candidates for debiasing. More importantly, resolving the limitation of the online environment where prior knowledge and auxiliary data are not ready, two novel techniques---feature map fusion and adaptive intensity shifting---enable us to automatically determine the appropriate level and proportion of the candidate shortcut features to be dropped. Extensive experiments on five benchmark datasets demonstrate that, when combined with various OCL algorithms, DropTop increases the average accuracy by up to 10.4% and decreases the forgetting by up to 63.2%.

Dongmin Kim, Sunghyun Park, Jaegul Choo

Time-series anomaly detection deals with the problem of detecting anomalous timesteps by learning normality from the sequence of observations. However, the concept of normality evolves over time, leading to a "new normal problem", where the distribution of normality can be changed due to the distribution shifts between training and test data. This paper highlights the prevalence of the new normal problem in unsupervised time-series anomaly detection studies. To tackle this issue, we propose a simple yet effective test-time adaptation strategy based on trend estimation and a self-supervised approach to learning new normalities during inference. Extensive experiments on real-world benchmarks demonstrate that incorporating the proposed strategy into the anomaly detector consistently improves the model's performances compared to the existing baselines, leading to robustness to the distribution shifts.

Dongha Kim, Yongchan Choi, Kunwoong Kim, Ilsang Ohn, Yongdai Kim

Most recent state-of-the-art algorithms for handling noisy label problems are based on the memorization effect, which is a phenomenon that deep neural networks (DNNs) memorize clean data before noisy ones. While the memorization effect can be a powerful tool, there are several cases where memorization effect does not occur. Examples are imbalanced class distributions and heavy contamination on labels. To address this limitation, we introduce a whole new approach called the interpolation with the over-fitted model (IOFM), which leverages over-fitted deep neural networks. The IOFM utilizes a new finding of over-fitted DNNs: for a given training sample, its neighborhoods chosen from the feature space are distributed differently on the original input space depending on the cleanness of the target sample. The IOFM has notable features in two aspects: 1) it yields superior results even when the training data are imbalanced or heavily noisy, 2) since we utilize over-fitted deep neural networks, a fine-tuning procedure to select the optimal training epoch, which is an essential yet sensitive factor for the success of the memorization effect, is not required, and thus, the IOFM can be used for non-experts. Through extensive experiments, we show that our method can serve as a promising alternative to existing solutions dealing with noisy labels, offering improved performance even in challenging situations.

Gwladys Kelodjou, Laurence Rozé, Véronique Masson, Luis Galárraga, Romaric Gaudel, Maurice Tchuente, Alexandre Termier

Machine learning techniques, such as deep learning and ensemble methods, are widely used in various domains due to their ability to handle complex real-world tasks. However, their black-box nature has raised multiple concerns about the fairness, trustworthiness, and transparency of computer-assisted decision-making. This has led to the emergence of local post-hoc explainability methods, which offer explanations for individual decisions made by black-box algorithms. Among these methods, Kernel SHAP is widely used due to its model-agnostic nature and its well-founded theoretical framework. Despite these strengths, Kernel SHAP suffers from high instability: different executions of the method with the same inputs can lead to significantly different explanations, which diminishes the relevance of the explanations. The contribution of this paper is two-fold. On the one hand, we show that Kernel SHAP's instability is caused by its stochastic neighbor selection procedure, which we adapt to achieve full stability without compromising explanation fidelity. On the other hand, we show that by restricting the neighbors generation to perturbations of size 1 -- which we call the coalitions of Layer 1 -- we obtain a novel feature-attribution method that is fully stable, computationally efficient, and still meaningful.

Amirreza Kazemi, Martin Ester

Individual treatment effect (ITE) estimation requires adjusting for the covariate shift between populations with different treatments, and deep representation learning has shown great promise in learning a balanced representation of covariates. However the existing methods mostly consider the scenario of binary treatments. In this paper, we consider the more practical and challenging scenario in which the treatment is a continuous variable (e.g. dosage of a medication), and we address the two main challenges of this setup. We propose the adversarial counterfactual regression network (ACFR) that adversarially minimizes the representation imbalance in terms of KL divergence, and also maintains the impact of the treatment value on the outcome prediction by leveraging an attention mechanism. Theoretically we demonstrate that ACFR objective function is grounded in an upper bound on counterfactual outcome prediction error. Our experimental evaluation on semi-synthetic datasets demonstrates the empirical superiority of ACFR over a range of state-of-the-art methods.

Nikolai Karpov, Qin Zhang

In this paper, we study the collaborative learning model, which concerns the tradeoff between parallelism and communication overhead in multi-agent multi-armed bandits. For regret minimization in multi-armed bandits, we present the first set of tradeoffs between the number of rounds of communication between the agents and the regret of the collaborative learning process.

Sanjay Kariyappa, Leonidas Tsepenekas, Freddy Lécué, Daniele Magazzeni

The SHAP framework provides a principled method to explain the predictions of a model by computing feature importance. Motivated by applications in finance, we introduce the Top-k Identification Problem (TkIP) (and its ordered variant TkIP- O), where the objective is to identify the subset (or ordered subset for TkIP-O) of k features corresponding to the highest SHAP values with PAC guarantees. While any sampling-based method that estimates SHAP values (such as KernelSHAP and SamplingSHAP) can be trivially adapted to solve TkIP, doing so is highly sample inefficient. Instead, we leverage the connection between SHAP values and multi-armed bandits (MAB) to show that both TkIP and TkIP-O can be reduced to variants of problems in MAB literature. This reduction allows us to use insights from the MAB literature to develop sample-efficient variants of KernelSHAP and SamplingSHAP. We propose KernelSHAP@k and SamplingSHAP@k for solving TkIP; along with KernelSHAP-O and SamplingSHAP-O to solve the ordering problem in TkIP-O. We perform extensive experiments using several credit-related datasets to show that our methods offer significant improvements of up to 40× in sample efficiency and 39× in runtime.

Taniya Kapoor, Abhishek Chandra, Daniel M. Tartakovsky, Hongrui Wang, Alfredo Nunez, Rolf Dollevoet

A primary challenge of physics-informed machine learning (PIML) is its generalization beyond the training domain, especially when dealing with complex physical problems represented by partial differential equations (PDEs). This paper aims to enhance the generalization capabilities of PIML, facilitating practical, real-world applications where accurate predictions in unexplored regions are crucial. We leverage the inherent causality and temporal sequential characteristics of PDE solutions to fuse PIML models with recurrent neural architectures based on systems of ordinary differential equations, referred to as neural oscillators. Through effectively capturing long-time dependencies and mitigating the exploding and vanishing gradient problem, neural oscillators foster improved generalization in PIML tasks. Extensive experimentation involving time-dependent nonlinear PDEs and biharmonic beam equations demonstrates the efficacy of the proposed approach. Incorporating neural oscillators outperforms existing state-of-the-art methods on benchmark problems across various metrics. Consequently, the proposed method improves the generalization capabilities of PIML, providing accurate solutions for extrapolation and prediction beyond the training data.

Qiyu Kang, Kai Zhao, Yang Song, Yihang Xie, Yanan Zhao, Sijie Wang, Rui She, Wee Peng Tay

In this work, we rigorously investigate the robustness of graph neural fractional-order differential equation (FDE) models. This framework extends beyond traditional graph neural (integer-order) ordinary differential equation (ODE) models by implementing the time-fractional Caputo derivative. Utilizing fractional calculus allows our model to consider long-term memory during the feature updating process, diverging from the memoryless Markovian updates seen in traditional graph neural ODE models. The superiority of graph neural FDE models over graph neural ODE models has been established in environments free from attacks or perturbations. While traditional graph neural ODE models have been verified to possess a degree of stability and resilience in the presence of adversarial attacks in existing literature, the robustness of graph neural FDE models, especially under adversarial conditions, remains largely unexplored. This paper undertakes a detailed assessment of the robustness of graph neural FDE models. We establish a theoretical foundation outlining the robustness characteristics of graph neural FDE models, highlighting that they maintain more stringent output perturbation bounds in the face of input and graph topology disturbances, compared to their integer-order counterparts. Our empirical evaluations further confirm the enhanced robustness of graph neural FDE models, highlighting their potential in adversarially robust applications.

Haneol Kang, Dong-Wan Choi

The stability-plasticity dilemma is a major challenge in continual learning, as it involves balancing the conflicting objectives of maintaining performance on previous tasks while learning new tasks. In this paper, we propose the recalloriented continual learning framework to address this challenge. Inspired by the human brain’s ability to separate the mechanisms responsible for stability and plasticity, our framework consists of a two-level architecture where an inference network effectively acquires new knowledge and a generative network recalls past knowledge when necessary. In particular, to maximize the stability of past knowledge, we investigate the complexity of knowledge depending on different representations, and thereby introducing generative adversarial meta-model (GAMM) that incrementally learns task-specific parameters instead of input data samples of the task. Through our experiments, we show that our framework not only effectively learns new knowledge without any disruption but also achieves high stability of previous knowledge in both task-aware and task-agnostic learning scenarios. Our code is available at: https://github.com/bigdata-inha/recall-orientedcl-framework.

Neha Kalibhat, Kanika Narang, Hamed Firooz, Maziar Sanjabi, Soheil Feizi

Self-supervised learning (SSL) has shown impressive results in downstream classification tasks. However, there is limited work in understanding their failure modes and interpreting their learned representations. In this paper, we study the representation space of state-of-the-art self-supervised models including SimCLR, SwaV, MoCo, BYOL, DINO, SimSiam, VICReg and Barlow Twins. Without the use of class label information, we discover discriminative features that correspond to unique physical attributes in images, present mostly in correctly-classified representations. Using these features, we can compress the representation space by up to$40% without significantly affecting linear classification performance. We then propose Self-Supervised Representation Quality Score (or Q-Score), an unsupervised score that can reliably predict if a given sample is likely to be mis-classified during linear evaluation, achieving AUPRC of 91.45 on ImageNet-100 and 78.78 on ImageNet-1K. Q-Score can also be used as a regularization term on pre-trained encoders to remedy low-quality representations. Fine-tuning with Q-Score regularization can boost the linear probing accuracy of SSL models by up to 5.8% on ImageNet-100 and 3.7% on ImageNet-1K compared to their baselines. Finally, using gradient heatmaps and Salient ImageNet masks, we define a metric to quantify the interpretability of each representation. We show that discriminative features are strongly correlated to core attributes and, enhancing these features through Q-score regularization makes SSL representations more interpretable.

Andrew B. Kahng, Robert R. Nerem, Yusu Wang, Chien-Yi Yang

Recent years have witnessed rapid advances in the use of neural networks to solve combinatorial optimization problems. Nevertheless, designing the "right" neural model that can effectively handle a given optimization problem can be challenging, and often there is no theoretical understanding or justification of the resulting neural model. In this paper, we focus on the rectilinear Steiner minimum tree (RSMT) problem, which is of critical importance in IC layout design and as a result has attracted numerous heuristic approaches in the VLSI literature. Our contributions are two-fold. On the methodology front, we propose NN-Steiner which is a novel mixed neural-algorithmic framework for computing RSMTs that leverages the celebrated PTAS algorithmic framework of Arora to solve this problem (and other geometric optimization problems). Our NN-Steiner replaces key algorithmic components within Arora's PTAS by suitable neural components. In particular, NN-Steiner only needs four neural network (NN) components that are called repeatedly within an algorithmic framework. Crucially, each of the four NN components is only of bounded size independent of input size, and thus easy to train. Furthermore, as the NN component is learning a generic algorithmic step, once learned, the resulting mixed neural-algorithmic framework generalizes to much larger instances not seen in training. Our NN-Steiner, to our best knowledge, is the first neural architecture of bounded size that has capacity to approximately solve RSMT (and variants). On the empirical front, we show how NN-Steiner can be implemented and demonstrate the effectiveness of our resulting approach, especially in terms of generalization, by comparing with state-of-the-art methods (both neural and non-neural based).

Chanyong Jung, Gihyun Kwon, Jong Chul Ye

Recently, patch-wise contrastive learning is drawing attention for the image translation by exploring the semantic correspondence between the input image and the output image. To further explore the patch-wise topology for high-level semantic understanding, here we exploit the graph neural network to capture the topology-aware features. Specifically, we construct the graph based on the patch-wise similarity from a pretrained encoder, whose adjacency matrix is shared to enhance the consistency of patch-wise relation between the input and the output. Then, we obtain the node feature from the graph neural network, and enhance the correspondence between the nodes by increasing mutual information using the contrastive loss. In order to capture the hierarchical semantic structure, we further propose the graph pooling. Experimental results demonstrate the state-of-art results for the image translation thanks to the semantic encoding by the constructed graphs.

Shalmali Joshi, Junzhe Zhang, Elias Bareinboim

Learning personalized treatment policies is a formative challenge in many real-world applications, including in healthcare, econometrics, artificial intelligence. However, the effectiveness of candidate policies is not always identifiable, i.e., it is not uniquely computable from the combination of the available data and assumptions about the generating mechanisms. This paper studies policy learning from data collected in various non-identifiable settings, i.e., (1) observational studies with unobserved confounding; (2) randomized experiments with partial observability; and (3) their combinations. We derive sharp, closed-formed bounds from observational and experimental data over the conditional treatment effects. Based on these novel bounds, we further characterize the problem of safe policy learning and develop an algorithm that trains a policy from data guaranteed to achieve, at least, the performance of the baseline policy currently deployed. Finally, we validate our proposed algorithm on synthetic data and a large clinical trial, demonstrating that it guarantees safe behaviors and robust performance.

Harshit Joshi, Abishai Ebenezer, José Cambronero Sanchez, Sumit Gulwani, Aditya Kanade, Vu Le, Ivan Radiček, Gust Verbruggen

Spreadsheets are a vital tool for end-user data management. Using large language models for formula authoring assistance in these environments can be difficult, as these models are expensive to train and challenging to deploy due to their size (up to billions of parameters). We present FLAME, a transformer-based model trained exclusively on Excel formulas that leverages domain insights to achieve competitive performance while being substantially smaller (60M parameters) and training on two orders of magnitude less data. We curate a training dataset using sketch deduplication, introduce an Excel-specific formula tokenizer, and use domain-specific versions of masked span prediction and noisy auto-encoding as pre-training objectives. We evaluate FLAME on formula repair, formula completion, and similarity-based formula retrieval. FLAME can outperform much larger models, such as the Davinci (175B) and Cushman (12B) variants of Codex and CodeT5 (220M), in 10 of 14 evaluation settings for the repair and completion tasks. For formula retrieval, FLAME outperforms CodeT5, CodeBERT, and GraphCodeBERT.

Yonghyeon Jo, Sunwoo Lee, Junghyuk Yeom, Seungyul Han

Recently, deep multi-agent reinforcement learning (MARL) has gained significant popularity due to its success in various cooperative multi-agent tasks. However, exploration still remains a challenging problem in MARL due to the partial observability of the agents and the exploration space that can grow exponentially as the number of agents increases. Firstly, in order to address the scalability issue of the exploration space, we define a formation-based equivalence relation on the exploration space and aim to reduce the search space by exploring only meaningful states in different formations. Then, we propose a novel formation-aware exploration (FoX) framework that encourages partially observable agents to visit the states in diverse formations by guiding them to be well aware of their current formation solely based on their own observations. Numerical results show that the proposed FoX framework significantly outperforms the state-of-the-art MARL algorithms on Google Research Football (GRF) and sparse Starcraft II multi-agent challenge (SMAC) tasks.

Baoyu Jing, Yuchen Yan, Kaize Ding, Chanyoung Park, Yada Zhu, Huan Liu, Hanghang Tong

A fundamental challenge of bipartite graph representation learning is how to extract informative node embeddings. Self-Supervised Learning (SSL) is a promising paradigm to address this challenge. Most recent bipartite graph SSL methods are based on contrastive learning which learns embeddings by discriminating positive and negative node pairs. Contrastive learning usually requires a large number of negative node pairs, which could lead to computational burden and semantic errors. In this paper, we introduce a novel synergistic representation learning model (STERLING) to learn node embeddings without negative node pairs. STERLING preserves the unique local and global synergies in bipartite graphs. The local synergies are captured by maximizing the similarity of the inter-type and intra-type positive node pairs, and the global synergies are captured by maximizing the mutual information of co-clusters. Theoretical analysis demonstrates that STERLING could improve the connectivity between different node types in the embedding space. Extensive empirical evaluation on various benchmark datasets and tasks demonstrates the effectiveness of STERLING for extracting node embeddings.