OpenRaiser/Intern-Atlas huggingface dataset:
Overcoming the Pitfalls of Vision-Language Model Finetuning for OOD Generalization
Venue: Conference ICLR 2024
Year: 2024

Existing vision-language models exhibit strong generalization on a variety of visual domains and tasks. However, such models mainly perform zero-shot recognition in a closed-set manner, and thus struggle to handle open-domain visual concepts by design. There are recent finetuning methods, such as prompt learning, that not only study the discrimination between in-distribution (ID) and out-of-distribution (OOD) samples, but also show some improvements in both ID and OOD accuracies. In this paper, we first demonstrate that vision-language models, after long enough finetuning but without proper regularization, tend to overfit the known classes in the given dataset, with degraded performance on unknown classes. Then we propose a novel approach OGEN to address this pitfall, with the main focus on improving the OOD GENeralization of finetuned models. Specifically, a class-conditional feature generator is introduced to synthesize OOD features using just the class name of any unknown class. Such synthesized features will provide useful knowledge about unknowns and help regularize the decision boundary between ID and OOD data when optimized jointly. Equally important is our adaptive self-distillation mechanism to regularize our feature generation model during joint optimization, i.e., adaptively transferring knowledge between model states to further prevent overfitting. Experiments validate that our method yields convincing gains in OOD generalization performance in different settings. Code: https://github.com/apple/ml-ogen.
Conformal Inductive Graph Neural Networks
Venue: Conference ICLR 2024
Year: 2024

Conformal prediction (CP) transforms any model's output into prediction sets guaranteed to include (cover) the true label. CP requires exchangeability, a relaxation of the i.i.d. assumption, to obtain a valid distribution-free coverage guarantee. This makes it directly applicable to transductive node-classification. However, conventional CP cannot be applied in inductive settings due to the implicit shift in the (calibration) scores caused by message passing with the new nodes. We fix this issue for both cases of node and edge-exchangeable graphs, recovering the standard coverage guarantee without sacrificing statistical efficiency. We further prove that the guarantee holds independently of the prediction time, e.g. upon arrival of a new node/edge or at any subsequent moment.
Benchmarking Algorithms for Federated Domain Generalization
Venue: Conference ICLR 2024
Year: 2024

While prior domain generalization (DG) benchmarks consider train-test dataset heterogeneity, we evaluate Federated DG which introduces federated learning (FL) specific challenges. Additionally, we explore domain-based heterogeneity in clients' local datasets - a realistic Federated DG scenario. Prior Federated DG evaluations are limited in terms of the number or heterogeneity of clients and dataset diversity. To address this gap, we propose an Federated DG benchmark methodology that enables control of the number and heterogeneity of clients and provides metrics for dataset difficulty. We then apply our methodology to evaluate 14 Federated DG methods, which include centralized DG methods adapted to the FL context, FL methods that handle client heterogeneity, and methods designed specifically for Federated DG. Our results suggest that despite some progress, there remain significant performance gaps in Federated DG particularly when evaluating with a large number of clients, high client heterogeneity, or more realistic datasets. Please check our extendable benchmark code here: https://github.com/inouye-lab/FedDG_Benchmark.
Towards Establishing Guaranteed Error for Learned Database Operations
Venue: Conference ICLR 2024
Year: 2024

Machine learning models have demonstrated substantial performance enhancements over non-learned alternatives in various fundamental data management operations, including indexing (locating items in an array), cardinality estimation (estimating the number of matching records in a database), and range-sum estimation (estimating aggregate attribute values for query-matched records). However, real-world systems frequently favor less efficient non-learned methods due to their ability to offer (worst-case) error guarantees - an aspect where learned approaches often fall short. The primary objective of these guarantees is to ensure system reliability, ensuring that the chosen approach consistently delivers the desired level of accuracy across all databases. In this paper, we embark on the first theoretical study of such guarantees for learned methods, presenting the necessary conditions for such guarantees to hold when using machine learning to perform indexing, cardinality estimation and range-sum estimation. Specifically, we present the first known lower bounds on the model size required to achieve the desired accuracy for these three key database operations. Our results bound the required model size for given average and worst-case errors in performing database operations, serving as the first theoretical guidelines governing how model size must change based on data size to be able to guarantee an accuracy level. More broadly, our established guarantees pave the way for the broader adoption and integration of learned models into real-world systems.
The Expressive Power of Low-Rank Adaptation
Venue: Conference ICLR 2024
Year: 2024

Low-Rank Adaptation (LoRA), a parameter-efficient fine-tuning method that leverages low-rank adaptation of weight matrices, has emerged as a prevalent technique for fine-tuning pre-trained models such as large language models and diffusion models. Despite its huge success in practice, the theoretical underpinnings of LoRA have largely remained unexplored. This paper takes the first step to bridge this gap by theoretically analyzing the expressive power of LoRA. We prove that, for fully connected neural networks, LoRA can adapt any model $f$ to accurately represent any smaller target model $\overline{f}$ if LoRA-rank $\geq(\text{width of }f) \times \frac{\text{depth of }\overline{f}}{\text{depth of }f}$. We also quantify the approximation error when LoRA-rank is lower than the threshold. For Transformer networks, we show any model can be adapted to a target model of the same size with rank-$(\frac{\text{embedding size}}{2})$ LoRA adapters.
A Framework for Inference Inspired by Human Memory Mechanisms
Venue: Conference ICLR 2024
Year: 2024

How humans and machines make sense of current inputs for relation reasoning and question-answering while putting the perceived information into context of our past memories, has been a challenging conundrum in cognitive science and artificial intelligence. Inspired by human brain's memory system and cognitive architectures, we propose a PMI framework that consists of perception, memory and inference components. Notably, the memory module comprises working and long-term memory, with the latter endowed with a higher-order structure to retain extensive and complex relational knowledge and experience. Through a differentiable competitive write access, current perceptions update working memory, which is later merged with long-term memory via outer product associations, reducing information conflicts and averting memory overflow. In the inference module, relevant information is retrieved from two separate memory origins and associatively integrated to attain a more comprehensive and precise interpretation of current perceptions. We exploratively apply our PMI to improve prevailing Transformers and CNN models on question-answering tasks like bAbI-20k and Sort-of-CLEVR datasets, as well as detecting equilateral triangles, language modeling and image classification tasks, and in each case, our PMI enhancements consistently outshine their original counterparts significantly. Visualization analyses reveal that relational memory consolidation, along with the interaction and integration of information from diverse memory sources, substantially contributes to the model effectiveness on inference tasks.
Evaluating Large Language Models at Evaluating Instruction Following
Venue: Conference ICLR 2024
Year: 2024

As research in large language models (LLMs) continues to accelerate, LLM-based evaluation has emerged as a scalable and cost-effective alternative to human evaluations for comparing the ever increasing list of models. This paper investigates the efficacy of these ``LLM evaluators'', particularly in using them to assess instruction following, a metric that gauges how closely generated text adheres to the given instruction. We introduce a challenging meta-evaluation benchmark, LLMBar, designed to test the ability of an LLM evaluator in discerning instruction-following outputs. The authors manually curated 419 pairs of outputs, one adhering to instructions while the other diverging, yet may possess deceptive qualities that mislead an LLM evaluator, e.g., a more engaging tone. Contrary to existing meta-evaluation, we discover that different evaluators (i.e., combinations of LLMs and prompts) exhibit distinct performance on LLMBar and even the highest-scoring ones have substantial room for improvement. We also present a novel suite of prompting strategies that further close the gap between LLM and human evaluators. With LLMBar, we hope to offer more insight into LLM evaluators and foster future research in developing better instruction-following models.
Understanding Augmentation-based Self-Supervised Representation Learning via RKHS Approximation and Regression
Venue: Conference ICLR 2024
Year: 2024

Data augmentation is critical to the empirical success of modern self-supervised representation learning, such as contrastive learning and masked language modeling. However, a theoretical understanding of the exact role of augmentation remains limited. Recent work has built the connection between self-supervised learning and the approximation of the top eigenspace of a graph Laplacian operator, suggesting that learning a linear probe atop such representation can be connected to RKHS regression. Building on this insight, this work delves into a statistical analysis of augmentation-based pretraining. Starting from the isometry property, a geometric characterization of the target function given by the augmentation, we disentangle the effects of the model and the augmentation, and prove two generalization bounds that are free of model complexity. Our first bound works for an arbitrary encoder, where the prediction error is decomposed as the sum of an estimation error incurred by fitting a linear probe with RKHS regression, and an approximation error entailed by RKHS approximation. Our second bound specifically addresses the case where the encoder is near-optimal, that is it approximates the top-d eigenspace of the RKHS induced by the augmentation. A key ingredient in our analysis is the augmentation complexity, which we use to quantitatively compare different augmentations and analyze their impact on downstream performance.
Provable Reward-Agnostic Preference-Based Reinforcement Learning
Venue: Conference ICLR 2024
Year: 2024

Preference-based Reinforcement Learning (PbRL) is a paradigm in which an RL agent learns to optimize a task using pair-wise preference-based feedback over trajectories, rather than explicit reward signals. While PbRL has demonstrated practical success in fine-tuning language models, existing theoretical work focuses on regret minimization and fails to capture most of the practical frameworks. In this study, we fill in such a gap between theoretical PbRL and practical algorithms by proposing a theoretical reward-agnostic PbRL framework where exploratory trajectories that enable accurate learning of hidden reward functions are acquired before collecting any human feedback. Theoretical analysis demonstrates that our algorithm requires less human feedback for learning the optimal policy under preference-based models with linear parameterization and unknown transitions, compared to the existing theoretical literature. Specifically, our framework can incorporate linear and low-rank MDPs with efficient sample complexity. Additionally, we investigate reward-agnostic RL with action-based comparison feedback and introduce an efficient querying algorithm tailored to this scenario.
HYPO: Hyperspherical Out-Of-Distribution Generalization
Venue: Conference ICLR 2024
Year: 2024

Out-of-distribution (OOD) generalization is critical for machine learning models deployed in the real world. However, achieving this can be fundamentally challenging, as it requires the ability to learn invariant features across different domains or environments. In this paper, we propose a novel framework HYPO (HYPerspherical OOD generalization) that provably learns domain-invariant representations in a hyperspherical space. In particular, our hyperspherical learning algorithm is guided by intra-class variation and inter-class separation principles -- ensuring that features from the same class (across different training domains) are closely aligned with their class prototypes, while different class prototypes are maximally separated. We further provide theoretical justifications on how our prototypical learning objective improves the OOD generalization bound. Through extensive experiments on challenging OOD benchmarks, we demonstrate that our approach outperforms competitive baselines and achieves superior performance. Code is available at https://github.com/deeplearning-wisc/hypo.
StructComp: Substituting propagation with Structural Compression in Training Graph Contrastive Learning
Venue: Conference ICLR 2024
Year: 2024

Graph contrastive learning (GCL) has become a powerful tool for learning graph data, but its scalability remains a significant challenge. In this work, we propose a simple yet effective training framework called Structural Compression (StructComp) to address this issue. Inspired by a sparse low-rank approximation on the diffusion matrix, StructComp trains the encoder with the compressed nodes. This allows the encoder not to perform any message passing during the training stage, and significantly reduces the number of sample pairs in the contrastive loss. We theoretically prove that the original GCL loss can be approximated with the contrastive loss computed by StructComp. Moreover, StructComp can be regarded as an additional regularization term for GCL models, resulting in a more robust encoder. Empirical studies on various datasets show that StructComp greatly reduces the time and memory consumption while improving model performance compared to the vanilla GCL models and scalable training methods.
Finite-Time Analysis of On-Policy Heterogeneous Federated Reinforcement Learning
Venue: Conference ICLR 2024
Year: 2024

Federated reinforcement learning (FRL) has emerged as a promising paradigm for reducing the sample complexity of reinforcement learning tasks by exploiting information from different agents. However, when each agent interacts with a potentially different environment, little to nothing is known theoretically about the non-asymptotic performance of FRL algorithms. The lack of such results can be attributed to various technical challenges and their intricate interplay: Markovian sampling, linear function approximation, multiple local updates to save communication, heterogeneity in the reward functions and transition kernels of the agents' MDPs, and continuous state-action spaces. Moreover, in the on-policy setting, the behavior policies vary with time, further complicating the analysis. In response, we introduce FedSARSA, a novel federated on-policy reinforcement learning scheme, equipped with linear function approximation, to address these challenges and provide a comprehensive finite-time error analysis. Notably, we establish that FedSARSA converges to a policy that is near-optimal for all agents, with the extent of near-optimality proportional to the level of heterogeneity. Furthermore, we prove that FedSARSA leverages agent collaboration to enable linear speedups as the number of agents increases, which holds for both fixed and adaptive step-size configurations.
Mixed-Type Tabular Data Synthesis with Score-based Diffusion in Latent Space
Venue: Conference ICLR 2024
Year: 2024

Recent advances in tabular data generation have greatly enhanced synthetic data quality. However, extending diffusion models to tabular data is challenging due to the intricately varied distributions and a blend of data types of tabular data. This paper introduces Tabsyn, a methodology that synthesizes tabular data by leveraging a diffusion model within a variational autoencoder (VAE) crafted latent space. The key advantages of the proposed Tabsyn include (1) Generality: the ability to handle a broad spectrum of data types by converting them into a single unified space and explicitly capture inter-column relations; (2) Quality: optimizing the distribution of latent embeddings to enhance the subsequent training of diffusion models, which helps generate high-quality synthetic data, (3) Speed: much fewer number of reverse steps and faster synthesis speed than existing diffusion-based methods. Extensive experiments on six datasets with five metrics demonstrate that Tabsyn outperforms existing methods. Specifically, it reduces the error rates by 86% and 67% for column-wise distribution and pair-wise column correlation estimations compared with the most competitive baselines.
Code Representation Learning at Scale
Venue: Conference ICLR 2024
Year: 2024

Recent studies have shown that code language models at scale demonstrate significant performance gains on downstream tasks, i.e., code generation. However, most of the existing works on code representation learning train models at a hundred million parameter scale using very limited pretraining corpora. In this work, we fuel code representation learning with a vast amount of code data via a two-stage pretraining scheme. We first train the encoders via a mix that leverages both randomness in masking language modeling and the structure aspect of programming language. We then enhance the representations via contrastive learning with hard negative and hard positive constructed in an unsupervised manner. We establish an off-the-shelf encoder model that persistently outperforms the existing models on a wide variety of downstream tasks by large margins. To comprehend the factors contributing to successful code representation learning, we conduct detailed ablations and share our findings on (i) a customized and effective token-level denoising scheme for source code; (ii) the importance of hard negatives and hard positives; (iii) how the proposed bimodal contrastive learning boost the cross-lingual semantic search performance; and (iv) how the pretraining schemes decide the downstream task performance scales with the model size.
Differentially Private SGD Without Clipping Bias: An Error-Feedback Approach
Venue: Conference ICLR 2024
Year: 2024

Differentially Private Stochastic Gradient Descent with Gradient Clipping (DPSGD-GC) is a powerful tool for training deep learning models using sensitive data, providing both a solid theoretical privacy guarantee and high efficiency. However, using DPSGD-GC to ensure Differential Privacy (DP) comes at the cost of model performance degradation due to DP noise injection and gradient clipping. Existing research has extensively analyzed the theoretical convergence of DPSGD-GC, and has shown that it only converges when using large clipping thresholds that are dependent on problem-specific parameters. Unfortunately, these parameters are often unknown in practice, making it hard to choose the optimal clipping threshold. Therefore, in practice, DPSGD-GC suffers from degraded performance due to the {\it constant} bias introduced by the clipping. In our work, we propose a new error-feedback (EF) DP algorithm as an alternative to DPSGD-GC, which not only offers a diminishing utility bound without inducing a constant clipping bias, but more importantly, it allows for an arbitrary choice of clipping threshold that is independent of the problem. We establish an algorithm-specific DP analysis for our proposed algorithm, providing privacy guarantees based on R{é}nyi DP. Additionally, we demonstrate that under mild conditions, our algorithm can achieve nearly the same utility bound as DPSGD without gradient clipping. Our empirical results on Cifar-10/100 and E2E datasets, show that the proposed algorithm achieves higher accuracies than DPSGD while maintaining the same level of DP guarantee.
Diffusion Generative Flow Samplers: Improving learning signals through partial trajectory optimization
Venue: Conference ICLR 2024
Year: 2024

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.
Deep Reinforcement Learning Guided Improvement Heuristic for Job Shop Scheduling
Venue: Conference ICLR 2024
Year: 2024

Recent studies in using deep reinforcement learning (DRL) to solve Job-shop scheduling problems (JSSP) focus on construction heuristics. However, their performance is still far from optimality, mainly because the underlying graph representation scheme is unsuitable for modelling partial solutions at each construction step. This paper proposes a novel DRL-guided improvement heuristic for solving JSSP, where graph representation is employed to encode complete solutions. We design a Graph Neural-Network-based representation scheme, consisting of two modules to effectively capture the information of dynamic topology and different types of nodes in graphs encountered during the improvement process. To speed up solution evaluation during improvement, we present a novel message-passing mechanism that can evaluate multiple solutions simultaneously. We prove that the computational complexity of our method scales linearly with problem size. Experiments on classic benchmarks show that the improvement policy learned by our method outperforms state-of-the-art DRL-based methods by a large margin.
Adversarial Attacks on Fairness of Graph Neural Networks
Venue: Conference ICLR 2024
Year: 2024

Fairness-aware graph neural networks (GNNs) have gained a surge of attention as they can reduce the bias of predictions on any demographic group (e.g., female) in graph-based applications. Although these methods greatly improve the algorithmic fairness of GNNs, the fairness can be easily corrupted by carefully designed adversarial attacks. In this paper, we investigate the problem of adversarial attacks on fairness of GNNs and propose G-FairAttack, a general framework for attacking various types of fairness-aware GNNs in terms of fairness with an unnoticeable effect on prediction utility. In addition, we propose a fast computation technique to reduce the time complexity of G-FairAttack. The experimental study demonstrates that G-FairAttack successfully corrupts the fairness of different types of GNNs while keeping the attack unnoticeable. Our study on fairness attacks sheds light on potential vulnerabilities in fairness-aware GNNs and guides further research on the robustness of GNNs in terms of fairness.