DeepNLP/ICLR-2023-Accepted-Papers huggingface dataset:
Progressive Voronoi Diagram Subdivision Enables Accurate Data-free Class-Incremental Learning
Authors: Chunwei Ma,Zhanghexuan Ji,Ziyun Huang,Yan Shen,Mingchen Gao,Jinhui Xu

Data-free Class-incremental Learning (CIL) is a challenging problem because rehearsing data from previous phases is strictly prohibited, causing catastrophic forgetting of Deep Neural Networks (DNNs). In this paper, we present \emph{iVoro}, a novel framework derived from computational geometry. We found Voronoi Diagram (VD), a classical model for space subdivision, is especially powerful for solving the CIL problem, because VD itself can be constructed favorably in an incremental manner -- the newly added sites (classes) will only affect the proximate classes, making the non-contiguous classes hardly forgettable. Furthermore, we bridge DNN and VD using Power Diagram Reduction, and show that the VD structure can be progressively refined along the phases using a divide-and-conquer algorithm. Moreover, our VD construction is not restricted to the deep feature space, but is also applicable to multiple intermediate feature spaces, promoting VD to be multilayer VD that efficiently captures multi-grained features from DNN. Importantly, \emph{iVoro} is also capable of handling uncertainty-aware test-time Voronoi cell assignment and has exhibited high correlations between geometric uncertainty and predictive accuracy (up to ${\sim}0.9$). Putting everything together, \emph{iVoro} achieves up to $25.26\%$, $37.09\%$, and $33.21\%$ improvements on CIFAR-100, TinyImageNet, and ImageNet-Subset, respectively, compared to the state-of-the-art non-exemplar CIL approaches. In conclusion, \emph{iVoro} enables highly accurate, privacy-preserving, and geometrically interpretable CIL that is particularly useful when cross-phase data sharing is forbidden, e.g. in medical applications.
Data Valuation Without Training of a Model
Authors: Ki Nohyun,Hoyong Choi,Hye Won Chung

Many recent works on understanding deep learning try to quantify how much individual data instances influence the optimization and generalization of a model. Such attempts reveal characteristics and importance of individual instances, which may provide useful information in diagnosing and improving deep learning. However, most of the existing works on data valuation require actual training of a model, which often demands high-computational cost. In this paper, we provide a training-free data valuation score, called complexity-gap score, which is a data-centric score to quantify the influence of individual instances in generalization of two-layer overparameterized neural networks. The proposed score can quantify irregularity of the instances and measure how much each data instance contributes in the total movement of the network parameters during training. We theoretically analyze and empirically demonstrate the effectiveness of the complexity-gap score in finding `irregular or mislabeled' data instances, and also provide applications of the score in analyzing datasets and diagnosing training dynamics. Our code is publicly available at https://github.com/JJchy/CG_score.
HotProtein: A Novel Framework for Protein Thermostability Prediction and Editing
Authors: Tianlong Chen,Chengyue Gong,Daniel Jesus Diaz,Xuxi Chen,Jordan Tyler Wells,qiang liu,Zhangyang Wang,Andrew Ellington,Alex Dimakis,Adam Klivans

The molecular basis of protein thermal stability is only partially understood and has major significance for drug and vaccine discovery.  The lack of datasets and standardized benchmarks considerably limits learning-based discovery methods. We present \texttt{HotProtein}, a large-scale protein dataset with \textit{growth temperature} annotations of thermostability, containing $182$K amino acid sequences and $3$K folded structures from $230$ different species with a wide temperature range $-20^{\circ}\texttt{C}\sim 120^{\circ}\texttt{C}$. Due to functional domain differences and data scarcity within each species, existing methods fail to generalize well on our dataset. We address this problem through a novel learning framework, consisting of ($1$) Protein structure-aware pre-training (SAP) which leverages 3D information to enhance sequence-based pre-training; ($2$) Factorized sparse tuning (FST) that utilizes low-rank and sparse priors as an implicit regularization, together with feature augmentations. Extensive empirical studies demonstrate that our framework improves thermostability prediction compared to other deep learning models. Finally, we introduce a novel editing algorithm to efficiently generate positive amino acid mutations that improve thermostability. Codes are available in https://github.com/VITA-Group/HotProtein.
RPM: Generalizable Multi-Agent Policies for Multi-Agent Reinforcement Learning
Authors: Wei Qiu,Xiao Ma,Bo An,Svetlana Obraztsova,Shuicheng YAN,Zhongwen Xu

Despite the recent advancement in multi-agent reinforcement learning (MARL), the MARL agents easily overfit the training environment and perform poorly in evaluation scenarios where other agents behave differently. Obtaining generalizable policies for MARL agents is thus necessary but challenging mainly due to complex multi-agent interactions. In this work, we model the MARL problem with Markov Games and propose a simple yet effective method, called ranked policy memory (RPM), i.e., to maintain a look-up memory of policies to achieve good generalizability. The main idea of RPM is to train MARL policies via gathering massive multi-agent interaction data. In particular, we first rank each agent’s policies by its training episode return, i.e., the episode return of each agent in the training environment; we then save the ranked policies in the memory; when an episode starts, each agent can randomly select a policy from the RPM as the behavior policy. Each agent uses the behavior policy to gather multi-agent interaction data for MARL training. This innovative self-play framework guarantees the diversity of multi-agent interaction in the training data. Experimental results on Melting Pot demonstrate that RPM enables MARL agents to interact with unseen agents in multi-agent generalization evaluation scenarios and complete given tasks. It significantly boosts the performance up to 818% on average.
Behavior Prior Representation learning for Offline Reinforcement Learning
Authors: Hongyu Zang,Xin Li,Jie Yu,Chen Liu,Riashat Islam,Remi Tachet des Combes,Romain Laroche

Offline reinforcement learning (RL) struggles in environments with rich and noisy inputs, where the agent only has access to a fixed dataset without environment interactions. Past works have proposed common workarounds based on the pre-training of state representations, followed by policy training. In this work, we introduce a simple, yet effective approach for learning state representations. Our method, Behavior Prior Representation (BPR), learns state representations with an easy-to-integrate objective based on behavior cloning of the dataset: we first learn a state representation by mimicking actions from the dataset, and then train a policy on top of the fixed representation, using any off-the-shelf Offline RL algorithm. Theoretically, we prove that BPR carries out performance guarantees when integrated into algorithms that have either policy improvement guarantees (conservative algorithms) or produce lower bounds of the policy values (pessimistic algorithms). Empirically, we show that BPR combined with existing state-of-the-art Offline RL algorithms leads to significant improvements across several offline control benchmarks. The code is available at \url{https://github.com/bit1029public/offline_bpr}
SCALE-UP: An Efficient Black-box Input-level Backdoor Detection via Analyzing Scaled Prediction Consistency
Authors: Junfeng Guo,Yiming Li,Xun Chen,Hanqing Guo,Lichao Sun,Cong Liu

Deep neural networks (DNNs) are vulnerable to backdoor attacks, where adversaries embed a hidden backdoor trigger during the training process for malicious prediction manipulation. These attacks pose great threats to the applications of DNNs under the real-world machine learning as a service (MLaaS) setting, where the deployed model is fully black-box while the users can only query and obtain its predictions. Currently, there are many existing defenses to reduce backdoor threats. However, almost all of them cannot be adopted in MLaaS scenarios since they require getting access to or even modifying the suspicious models. In this paper, we propose a simple yet effective black-box input-level backdoor detection, called SCALE-UP, which requires only the predicted labels to alleviate this problem. Specifically, we identify and filter malicious testing samples by analyzing their prediction consistency during the pixel-wise amplification process. Our defense is motivated by an intriguing observation (dubbed \emph{scaled prediction consistency}) that the predictions of poisoned samples are significantly more consistent compared to those of benign ones when amplifying all pixel values. Besides, we also provide theoretical foundations to explain this phenomenon. Extensive experiments are conducted on benchmark datasets, verifying the effectiveness and efficiency of our defense and its resistance to potential adaptive attacks. Our codes are available at \url{https://github.com/JunfengGo/SCALE-UP}.
On the Perils of Cascading Robust Classifiers
Authors: Ravi Mangal,Zifan Wang,Chi Zhang,Klas Leino,Corina Pasareanu,Matt Fredrikson

Ensembling certifiably robust neural networks is a promising approach for improving the \emph{certified robust accuracy} of neural models. 
Black-box ensembles that assume only query-access to the constituent models (and their robustness certifiers) during prediction are particularly attractive due to their modular structure. Cascading ensembles are a popular instance of black-box ensembles that appear to improve certified robust accuracies in practice. However, we show that the robustness certifier used by a cascading ensemble is unsound. That is, when a cascading ensemble is certified as locally robust at an input $x$ (with respect to $\epsilon$), there can be inputs $x'$ in the $\epsilon$-ball centered at $x$, such that the cascade's prediction at $x'$ is different from $x$ and thus the ensemble is not locally robust. Our theoretical findings are accompanied by empirical results that further demonstrate this unsoundness. We present a new attack against cascading ensembles and show that: (1) there exists an adversarial input for up to 88\% of the samples where the ensemble claims to be certifiably robust and accurate; and (2) the accuracy of a cascading ensemble under our attack is as low as 11\% when it claims to be certifiably robust and accurate on 97\% of the test set. Our work reveals a critical pitfall of cascading certifiably robust models by showing that the seemingly beneficial strategy of cascading can actually hurt the robustness of the resulting ensemble. Our code is available at https://github.com/TristaChi/ensembleKW.
Learning Math Reasoning from Self-Sampled Correct and Partially-Correct Solutions
Authors: Ansong Ni,Jeevana Priya Inala,Chenglong Wang,Alex Polozov,Christopher Meek,Dragomir Radev,Jianfeng Gao

Pretrained language models have shown superior performance on many natural language processing tasks, yet they still struggle at multi-step formal reasoning tasks like grade school math problems. One key challenge of finetuning them to solve such math reasoning problems is that many existing datasets only contain one reference solution for each problem, despite the fact that there are often alternative solutions resembling different reasoning paths to the final answer. This way, the finetuned models are biased towards the limited reference solutions, which limits their generalization to unseen examples. To mitigate this issue, we propose to let the model perform sampling during training and learn from both self-sampled fully-correct solutions, which yield the correct answer upon execution, and partially-correct solutions, whose intermediate state matches an intermediate state of a known correct solution. We show that our use of self-sampled correct and partially-correct solutions can benefit learning and help guide the sampling process, leading to more efficient exploration of the solution space. Additionally, we explore various training objectives to support learning from multiple solutions per example and find they greatly affect the performance. Experiments on two math reasoning datasets show the effectiveness of our method compared to learning from a single reference solution with MLE, where we improve PASS@100 from 35.5% to 44.5% for GSM8K, and 27.6% to 36.2% PASS@80 for MathQA. Such improvements are also consistent across different model sizes.
Adaptive Robust Evidential Optimization For Open Set Detection from Imbalanced Data
Authors: Hitesh Sapkota,Qi Yu

Open set detection (OSD) aims at identifying data samples of an unknown class ($i.e.$, open set) from those of known classes ($i.e.$, closed set) based on a model trained from closed set samples. However, a closed set may involve a highly imbalanced class distribution. Accurately differentiating open set samples and those from a minority class in the closed set poses a fundamental challenge as the model may be equally uncertain when recognizing samples from the minority class. In this paper, we propose Adaptive Robust Evidential Optimization (AREO) that offers a principled way to quantify sample uncertainty through evidential learning while optimally balancing the model training over all classes in the closed set through adaptive distributively robust optimization (DRO). To avoid the model to primarily focus on the most difficult samples by following the standard DRO, adaptive DRO training is performed, which is governed by a novel multi-scheduler learning mechanism to ensure an optimal model training behavior that gives sufficient attention to the difficult samples and the minority class while capable of learning common patterns from the majority classes. Our experimental results on multiple real-world datasets demonstrate that the proposed model outputs uncertainty scores that can clearly separate samples from closed and open sets, respectively, and the detection results outperform the competitive baselines.
Dual Diffusion Implicit Bridges for Image-to-Image Translation
Authors: Xuan Su,Jiaming Song,Chenlin Meng,Stefano Ermon

Common image-to-image translation methods rely on joint training over data from both source and target domains. The training process requires concurrent access to both datasets, which hinders data separation and privacy protection; and existing models cannot be easily adapted for translation of new domain pairs. We present Dual Diffusion Implicit Bridges (DDIBs), an image translation method based on diffusion models, that circumvents training on domain pairs. Image translation with DDIBs relies on two diffusion models trained independently on each domain, and is a two-step process: DDIBs first obtain latent encodings for source images with the source diffusion model, and then decode such encodings using the target model to construct target images. Both steps are defined via ordinary differential equations (ODEs), thus the process is cycle consistent only up to discretization errors of the ODE solvers. Theoretically, we interpret DDIBs as concatenation of source to latent, and latent to target Schrodinger Bridges, a form of entropy-regularized optimal transport, to explain the efficacy of the method. Experimentally, we apply DDIBs on synthetic and high-resolution image datasets, to demonstrate their utility in a wide variety of translation tasks and their inherent optimal transport properties.
Average Sensitivity of Decision Tree Learning
Authors: Satoshi Hara,Yuichi Yoshida

A decision tree is a fundamental model used in data mining and machine learning. In practice, the training data used to construct a decision tree may change over time or contain noise, and a drastic change in the learned tree structure owing to such data perturbation is unfavorable. For example, in data mining, a change in the tree implies a change in the extracted knowledge, which raises the question of whether the extracted knowledge is truly reliable or is only a noisy artifact. To alleviate this issue, we design decision tree learning algorithms that are stable against insignificant perturbations in the training data. Specifically, we adopt the notion of average sensitivity as a stability measure, and design an algorithm with low average sensitivity that outputs a decision tree whose accuracy is close to the optimal decision tree. The experimental results on real-world datasets demonstrate that the proposed algorithm enables users to select suitable decision trees considering the trade-off between average sensitivity and accuracy.
Stable Target Field for Reduced Variance Score Estimation in Diffusion Models
Authors: Yilun Xu,Shangyuan Tong,Tommi S. Jaakkola

Diffusion models generate samples by reversing a fixed forward diffusion process. Despite already providing impressive empirical results, these diffusion models algorithms can be further improved by reducing the variance of the training targets in their denoising score-matching objective. We argue that the source of such variance lies in the handling of intermediate noise-variance scales, where multiple modes in the data affect the direction of reverse paths. We propose to remedy the problem by incorporating a reference batch which we use to calculate weighted conditional scores as more stable training targets. We show that the procedure indeed helps in the challenging intermediate regime by reducing (the trace of) the covariance of training targets. The new stable targets can be seen as trading bias for reduced variance, where the bias vanishes with increasing reference batch size. Empirically, we show that the new objective improves the image quality, stability, and training speed of various popular diffusion models across datasets with both general ODE and SDE solvers. When used in combination with EDM, our method yields a current SOTA FID of 1.90 with 35 network evaluations on the unconditional CIFAR-10 generation task. The code is available at https://github.com/Newbeeer/stf
Continuous pseudo-labeling from the start
Authors: Dan Berrebbi,Ronan Collobert,Samy Bengio,Navdeep Jaitly,Tatiana Likhomanenko

Self-training (ST), or pseudo-labeling has sparked significant interest in the automatic speech recognition (ASR) community recently because of its success in harnessing unlabeled data. Unlike prior semi-supervised learning approaches that relied on iteratively regenerating pseudo-labels (PLs) from a trained model and using them to train a new model, recent state-of-the-art methods perform `continuous training' where PLs are generated using a very recent version of the model being trained. Nevertheless, these approaches still rely on bootstrapping the ST using an initial supervised learning phase where the model is trained on labeled data alone. We believe this has the potential for over-fitting to the labeled dataset in low resource settings and that ST from the start of training should reduce over-fitting. In this paper we show how we can do this by dynamically controlling the evolution of PLs during the training process in ASR. To the best of our knowledge, this is the first study that shows the feasibility of generating PLs from the very start of the training. We are able to achieve this using two techniques that avoid instabilities which lead to degenerate models that do not generalize. Firstly, we control the evolution of PLs through a curriculum that uses the online changes in PLs to control the membership of the cache of PLs and improve generalization. Secondly, we find that by sampling transcriptions from the predictive distribution, rather than only using the best transcription, we can stabilize training further. With these techniques, our ST models match prior works without an external language model.
GNNDelete: A General Strategy for Unlearning in Graph Neural Networks
Authors: Jiali Cheng,George Dasoulas,Huan He,Chirag Agarwal,Marinka Zitnik

Graph unlearning, which involves deleting graph elements such as nodes, node labels, and relationships from a trained graph neural network (GNN) model, is crucial for real-world applications where data elements may become irrelevant, inaccurate, or privacy-sensitive. However, existing methods for graph unlearning either deteriorate model weights shared across all nodes or fail to effectively delete edges due to their strong dependence on local graph neighborhoods. To address these limitations, we introduce GNNDelete, a novel model-agnostic layer-wise operator that optimizes two critical properties, namely, Deleted Edge Consistency and Neighborhood Influence, for graph unlearning. Deleted Edge Consistency ensures that the influence of deleted elements is removed from both model weights and neighboring representations, while Neighborhood Influence guarantees that the remaining model knowledge is preserved after deletion. GNNDelete updates representations to delete nodes and edges from the model while retaining the rest of the learned knowledge. We conduct experiments on seven real-world graphs, showing that GNNDelete outperforms existing approaches by up to 38.8% (AUC) on edge, node, and node feature deletion tasks, and 32.2% on distinguishing deleted edges from non-deleted ones. Additionally, GNNDelete is efficient, taking 12.3x less time and 9.3x less space than retraining GNN from scratch on WordNet18.
Meta-Learning in Games
Authors: Keegan Harris,Ioannis Anagnostides,Gabriele Farina,Mikhail Khodak,Steven Wu,Tuomas Sandholm

In the literature on game-theoretic equilibrium finding, focus has mainly been on solving a single game in isolation. In practice, however, strategic interactions—ranging from routing problems to online advertising auctions—evolve dynamically, thereby leading to many similar games to be solved. To address this gap, we introduce meta-learning for equilibrium finding and learning to play games. We establish the first meta-learning guarantees for a variety of fundamental and well-studied games, including two-player zero-sum games, general-sum games, Stackelberg games, and multiple extensions thereof. In particular, we obtain rates of convergence to different game-theoretic equilibria that depend on natural notions of similarity between the sequence of games encountered, while at the same time recovering the known single-game guarantees when the sequence of games is arbitrary. Along the way, we prove a number of new results in the single-game regime through a simple and unified framework, which may be of independent interest. Finally, we evaluate our meta-learning algorithms on endgames faced by the poker agent Libratus against top human professionals. The experiments show that games with varying stack sizes can be solved significantly faster using our meta-learning techniques than by solving them separately, often by an order of magnitude.