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Miscellaneous Aspects of Machine Learning · Unsupervised and Semi-supervised Learning

Yuxuan Yin, Yu Wang, Peng Li

We introduce a novel semi-supervised learning approach, named Teacher-Student Bayesian Optimization ($\texttt{TSBO}$), integrating the teacher-student paradigm into BO to minimize expensive labeled data queries for the first time. $\texttt{TSBO}$ incorporates a teacher model, an unlabeled data sampler, and a student model. The student is trained on unlabeled data locations generated by the sampler, with pseudo labels predicted by the teacher. The interplay between these three components implements a unique *selective regularization* to the teacher in the form of student feedback. This scheme enables the teacher to predict high-quality pseudo labels, enhancing the generalization of the GP surrogate model in the search space. To fully exploit $\texttt{TSBO}$, we propose two optimized unlabeled data samplers to construct effective student feedback that well aligns with the objective of Bayesian optimization. Furthermore, we quantify and leverage the uncertainty of the teacher-student model for the provision of reliable feedback to the teacher in the presence of risky pseudo-label predictions. $\texttt{TSBO}$ demonstrates significantly improved sample-efficiency in several global optimization tasks under tight labeled data budgets. The implementation is available at https://github.com/reminiscenty/TSBO-Official.

Applications · Robotics

Hyunki Seong, Hyunchul Shim

We introduce MoNet, a novel functionally modular network for self-supervised and interpretable end-to-end learning. By leveraging its functional modularity with a latent-guided contrastive loss function, MoNet efficiently learns task-specific decision-making processes in latent space without requiring task-level supervision. Moreover, our method incorporates an online, post-hoc explainability approach that enhances the interpretability of end-to-end inferences without compromising sensorimotor control performance. In real-world indoor environments, MoNet demonstrates effective visual autonomous navigation, outperforming baseline models by 7% to 28% in task specificity analysis. We further explore the interpretability of our network through post-hoc analysis of perceptual saliency maps and latent decision vectors. This provides valuable insights into the incorporation of explainable artificial intelligence into robotic learning, encompassing both perceptual and behavioral perspectives. Supplementary materials are available at https://sites.google.com/view/monet-lgc.

Deep Learning · Algorithms

Haocheng Xi, Yuxiang Chen, Kang Zhao, KAI JUN TEH, Jianfei Chen, Jun Zhu

Pretraining transformers are generally time-consuming. Fully quantized training (FQT) is a promising approach to speed up pretraining. However, most FQT methods adopt a quantize-compute-dequantize procedure, which often leads to suboptimal speedup and significant performance degradation when used in transformers due to the high memory access overheads and low-precision computations. In this work, we propose Jetfire, an efficient and accurate INT8 training method specific to transformers. Our method features an INT8 data flow to optimize memory access and a per-block quantization method to maintain the accuracy of pretrained transformers. Extensive experiments demonstrate that our INT8 FQT method achieves comparable accuracy to the FP16 training baseline and outperforms the existing INT8 training works for transformers. Moreover, for a standard transformer block, our method offers an end-to-end training speedup of 1.42x and a 1.49x memory reduction compared to the FP16 baseline.

Deep Learning · Large Language Models

Zhaorun Chen, Zhuokai Zhao, HONGYIN LUO, Huaxiu Yao, Bo Li, Jiawei Zhou

While large vision-language models (LVLMs) have demonstrated impressive capabilities in interpreting multi-modal contexts, they invariably suffer from object hallucinations (OH). We introduce HALC, a novel decoding algorithm designed to mitigate OH in LVLMs. HALC leverages distinct fine-grained optimal visual information in vision-language tasks and operates on both local and global contexts simultaneously. Specifically, HALC integrates a robust auto-focal grounding mechanism (locally) to correct hallucinated tokens on the fly, and a specialized beam search algorithm (globally) to significantly reduce OH while preserving text generation quality. Additionally, HALC can be integrated into any LVLMs as a plug-and-play module without extra training. Extensive experimental studies demonstrate HALC’s effectiveness in reducing OH, outperforming state-of-the-arts across four benchmarks. Code is released at https://github.com/BillChan226/HALC.

Deep Learning · Large Language Models

Akhil Kedia, Mohd Abbas Zaidi, Sushil Khyalia, JungHo Jung, Harshith Goka, Haejun Lee

In spite of their huge success, transformer models remain difficult to scale in depth. In this work, we develop a unified signal propagation theory and provide formulae that govern the moments of the forward and backward signal through the transformer model. Our framework can be used to understand and mitigate vanishing/exploding gradients, rank collapse, and instability associated with high attention scores. We also propose DeepScaleLM, an initialization and scaling scheme that conserves unit output/gradient moments throughout the model, enabling the training of very deep models with 1000 layers. We find that transformer models could be much deeper - our deep models with fewer parameters outperform shallow models in Language Modeling, Speech Translation, and Image Classification, across encoder-only, decoder-only and encoder-decoder variants, for both Pre-LN and Post-LN transformers, for multiple datasets and model sizes. These improvements also translate into improved performance on downstream Question Answering tasks and improved robustness for Image Classification.

Reinforcement Learning · Deep RL

Maciej Wołczyk, Bartłomiej Cupiał, Mateusz Ostaszewski, Michał Bortkiewicz, Michał Zając, Razvan Pascanu, Lukasz Kucinski, Piotr Milos

Fine-tuning is a widespread technique that allows practitioners to transfer pre-trained capabilities, as recently showcased by the successful applications of foundation models. However, fine-tuning reinforcement learning (RL) models remains a challenge. This work conceptualizes one specific cause of poor transfer, accentuated in the RL setting by the interplay between actions and observations: *forgetting of pre-trained capabilities*. Namely, a model deteriorates on the state subspace of the downstream task not visited in the initial phase of fine-tuning, on which the model behaved well due to pre-training. This way, we lose the anticipated transfer benefits. We identify conditions when this problem occurs, showing that it is common and, in many cases, catastrophic. Through a detailed empirical analysis of the challenging NetHack and Montezuma's Revenge environments, we show that standard knowledge retention techniques mitigate the problem and thus allow us to take full advantage of the pre-trained capabilities. In particular, in NetHack, we achieve a new state-of-the-art for neural models, improving the previous best score from $5$K to over $10$K points in the Human Monk scenario.

Safwan Hossain, Andjela Mladenovic, Yiling Chen, Gauthier Gidel

Bayesian Persuasion is proposed as a tool for social media platforms to combat the spread of misinformation. Since platforms can use machine learning to predict the popularity and misinformation features of to-be-shared posts, and users are largely motivated to share popular content, platforms can strategically signal this informational advantage to change user beliefs and persuade them not to share misinformation. We characterize the optimal signaling scheme with imperfect predictions as a linear program and give sufficient and necessary conditions on the classifier to ensure optimal platform utility is non-decreasing and continuous. Next, this interaction is considered under a performative model, wherein platform intervention affects the user's future behaviour. The convergence and stability of optimal signaling under this performative process are fully characterized. Lastly, we experimentally validate that our approach significantly reduces misinformation in both the single round and performative setting.

Optimization · Zero-order and Black-box Optimization

Shangda Yang, Vitaly Zankin, Maximilian Balandat, Stefan Scherer, Kevin Carlberg, Neil Walton, Kody Law

We leverage multilevel Monte Carlo (MLMC) to improve the performance of multi-step look- ahead Bayesian optimization (BO) methods that involve nested expectations and maximizations. Often these expectations must be computed by Monte Carlo (MC). The complexity rate of naive MC degrades for nested operations, whereas MLMC is capable of achieving the canonical MC convergence rate for this type of problem, independently of dimension and without any smoothness assumptions. Our theoretical study focuses on the approximation improvements for two- and three-step look-ahead acquisition functions, but, as we discuss, the approach is generalizable in various ways, including beyond the context of BO. Our findings are verified numerically and the benefits of MLMC for BO are illustrated on several benchmark examples. Code is available at https://github.com/Shangda-Yang/MLMCBO.

Nikhil Sardana, Jacob Portes, Alexandre (Sasha) Doubov, Jonathan Frankle

Large language model (LLM) scaling laws are empirical formulas that estimate changes in model quality as a result of increasing parameter count and training data. However, these formulas, including the popular Deepmind Chinchilla scaling laws, neglect to include the cost of inference. We modify the Chinchilla scaling laws to calculate the optimal LLM parameter count and pre-training data size to train and deploy a model of a given quality and inference demand. We conduct our analysis both in terms of a compute budget and real-world costs and find that LLM researchers expecting reasonably large inference demand ($\sim$1B requests) should train models smaller and longer than Chinchilla-optimal. Furthermore, we train 47 models of varying sizes and parameter counts to validate our formula and find that model quality continues to improve as we scale tokens per parameter to extreme ranges (up to 10,000). Finally, we ablate the procedure used to fit the Chinchilla scaling law coefficients and find that developing scaling laws only from data collected at typical token/parameter ratios overestimates the impact of additional tokens at these extreme ranges.

Reinforcement Learning · Multi-agent

Yizhe Huang, Anji Liu, Fanqi Kong, Yaodong Yang, Song-Chun Zhu, Xue Feng

Despite the recent successes of multi-agent reinforcement learning (MARL) algorithms, efficiently adapting to co-players in mixed-motive environments remains a significant challenge. One feasible approach is to hierarchically model co-players' behavior based on inferring their characteristics. However, these methods often encounter difficulties in efficient reasoning and utilization of inferred information. To address these issues, we propose Hierarchical Opponent modeling and Planning (HOP), a novel multi-agent decision-making algorithm that enables few-shot adaptation to unseen policies in mixed-motive environments. HOP is hierarchically composed of two modules: an opponent modeling module that infers others' goals and learns corresponding goal-conditioned policies, and a planning module that employs Monte Carlo Tree Search (MCTS) to identify the best response. Our approach improves efficiency by updating beliefs about others' goals both across and within episodes and by using information from the opponent modeling module to guide planning. Experimental results demonstrate that in mixed-motive environments, HOP exhibits superior few-shot adaptation capabilities when interacting with various unseen agents, and excels in self-play scenarios. Furthermore, the emergence of social intelligence during our experiments underscores the potential of our approach in complex multi-agent environments.

Social Aspects · Trustworthy Machine Learning

Angeliki Dimitriou, Maria Lymperaiou, Giorgos Filandrianos, Konstantinos Thomas, Giorgos Stamou

Counterfactual explanations (CEs) based on concepts are explanations that consider alternative scenarios to understand which high-level semantic features contributed to particular model predictions. In this work, we propose CEs based on the semantic graphs accompanying input data to achieve more descriptive, accurate, and human-aligned explanations. Building upon state-of-the-art (SotA) conceptual attempts, we adopt a model-agnostic edit-based approach and introduce leveraging GNNs for efficient Graph Edit Distance (GED) computation. With a focus on the visual domain, we represent images as scene graphs and obtain their GNN embeddings to bypass solving the NP-hard graph similarity problem for all input pairs, an integral part of CE computation process. We apply our method to benchmark and real-world datasets with varying difficulty and availability of semantic annotations. Testing on diverse classifiers, we find that our CEs outperform previous SotA explanation models based on semantics, including both white and black-box as well as conceptual and pixel-level approaches. Their superiority is proven quantitatively and qualitatively, as validated by human subjects, highlighting the significance of leveraging semantic edges in the presence of intricate relationships. Our model-agnostic graph-based approach is widely applicable and easily extensible, producing actionable explanations across different contexts. The code is available at https://github.com/aggeliki-dimitriou/SGCE.

Deep Learning · Attention Mechanisms

Jong Ho Park, Jaden Park, Zheyang Xiong, Nayoung Lee, Jaewoong Cho, Samet Oymak, Kangwook Lee, Dimitris Papailiopoulos

State-space models (SSMs), such as Mamba (Gu & Dao, 2023), have been proposed as alternatives to Transformer networks in language modeling, incorporating gating, convolutions, and input-dependent token selection to mitigate the quadratic cost of multi-head attention. Although SSMs exhibit competitive performance, their in-context learning (ICL) capabilities, a remarkable emergent property of modern language models that enables task execution without parameter optimization, remain less explored compared to Transformers. In this study, we evaluate the ICL performance of SSMs, focusing on Mamba, against Transformer models across various tasks. Our results show that SSMs perform comparably to Transformers in standard regression ICL tasks, while outperforming them in tasks like sparse parity learning. However, SSMs fall short in tasks involving non-standard retrieval functionality. To address these limitations, we introduce a hybrid model, MambaFormer, that combines Mamba with attention blocks, surpassing individual models in tasks where they struggle independently. Our findings suggest that hybrid architectures offer promising avenues for enhancing ICL in language models.

Applications · Robotics

Soroush Nasiriany, Fei Xia, Wenhao Yu, Ted Xiao, Jacky Liang, Ishita Dasgupta, Annie Xie, Danny Driess, Ayzaan Wahid, Zhuo Xu 等

Vision language models (VLMs) have shown impressive capabilities across a variety of tasks, from logical reasoning to visual understanding. This opens the door to richer interaction with the world, for example robotic control. However, VLMs produce only textual outputs, while robotic control and other spatial tasks require outputting continuous coordinates, actions, or trajectories. How can we enable VLMs to handle such settings without fine-tuning on task-specific data? In this paper, we propose a novel visual prompting approach for VLMs that we call Prompting with Iterative Visual Optimization (PIVOT), which casts tasks as iterative visual question answering. In each iteration, the image is annotated with a visual representation of proposals that the VLM can refer to (e.g., candidate robot actions, localizations, or trajectories). The VLM then selects the best ones for the task. These proposals are iteratively refined, allowing the VLM to eventually zero in on the best available answer. We investigate PIVOT on real-world robotic navigation, real-world manipulation from images, instruction following in simulation, and additional spatial inference tasks such as localization. We find, perhaps surprisingly, that our approach enables zero-shot control of robotic systems without any robot training data, navigation in a variety of environments, and other capabilities. Although current performance is far from perfect, our work highlights potentials and limitations of this new regime and shows a promising approach for Internet-Scale VLMs in robotic and spatial reasoning domains.

Reinforcement Learning · Deep RL

Annie Xie, Logan M. Bhamidipaty, Evan Liu, Joey Hong, Sergey Levine, Chelsea Finn

Standard exploration methods typically rely on random coverage of the state space or coverage-promoting exploration bonuses. However, in partially observed settings, the biggest exploration challenge is often posed by the need to discover information-gathering strategies---e.g., an agent that has to navigate to a location in traffic might learn to first check traffic conditions and then choose a route. In this work, we design a POMDP agent that gathers information about the hidden state, using ideas from the meta-exploration literature. Our approach provides an exploration bonus that rewards the agent for gathering information about the state that is relevant for completing the task. While this requires the agent to know what this information is during training, it can obtained in several ways: in the most general case, off-policy algorithms can leverage knowledge about the entire trajectory to determine such information in hindsight, but the user can also provide prior knowledge (e.g., privileged information) to help inform the training process. Through experiments in several partially-observed environments, we find that our approach is competitive with prior methods when minimal exploration is needed, but substantially outperforms them when more complex strategies are required. Our algorithm also shows the ability to learn without any privileged information, by reasoning about the entire trajectory in hindsight and and effectively using any information it reveals about the hidden state.

Applications · Computer Vision

Jinhao Li, Haopeng Li, Sarah Erfani, Lei Feng, James Bailey, Feng Liu

It has recently been discovered that using a pre-trained *vision-language model* (VLM), e.g., CLIP, to align a whole query image with several finer text descriptions generated by a large language model can significantly enhance zero-shot performance. However, in this paper, we empirically find that the finer descriptions tend to align more effectively with *local areas of the query image* rather than the whole image, and then we theoretically validate this finding. Thus, we present a method called *weighted visual-text cross alignment* (WCA). This method begins with a *localized visual prompting* technique, designed to identify local visual areas within the query image. The local visual areas are then *cross-aligned* with the finer descriptions by creating a similarity matrix using the pre-trained VLM. To determine how well a query image aligns with each category, we develop a score function based on the weighted similarities in this matrix. Extensive experiments demonstrate that our method significantly improves zero-shot performance across various datasets, achieving results that are even comparable to few-shot learning methods.

Miscellaneous Aspects of Machine Learning · Kernel methods

Vladimir Kostic, Karim Lounici, Prune Inzerilli, Pietro Novelli, Massimiliano Pontil

We study the problem of forecasting the evolution of a function of the state (observable) of a discrete ergodic dynamical system over multiple time steps. The elegant theory of Koopman and transfer operators can be used to evolve any such function forward in time. However, their estimators are usually unreliable in long-term forecasting. We show how classical techniques of eigenvalue deflation from operator theory and feature centering from statistics can be exploited to enhance standard estimators. We develop a novel technique to derive high probability bounds on powers of empirical estimators. Our approach, rooted in the stability _theory of non-normal operators_, allows us to establish uniform in time bounds for the forecasting error, which hold even on _infinite time horizons_. We further show that our approach can be seamlessly employed to forecast future state distributions from an initial one, with provably uniform error bounds. Numerical experiments illustrate the advantages of our approach in practice.

Deep Learning · Graph Neural Networks

Sudhanshu Chanpuriya, Cameron Musco, Konstantinos Sotiropoulos, Charalampos Tsourakakis

We investigate the trade-off between the representation power of graph generative models and model *overlap*, i.e., the degree to which the model generates diverse outputs versus regurgitating its training data. In particular, we delineate a nested hierarchy of graph generative models categorized into three levels of complexity: edge independent, node independent, and arbitrarily dependent models. This hierarchy encapsulates a wide range of prevalent methods. We derive theoretical bounds on the number of triangles and other short-length cycles producible by each level of the hierarchy, finding that more complex dependency structure allows an improved trade-off between representation power and overlap. We provide instances demonstrating the asymptotic optimality of our bounds. Furthermore, we introduce new generative models for each of the three hierarchical levels, leveraging dense subgraph discovery. Our evaluation, conducted on real-world datasets, focuses on assessing the output quality and overlap of our proposed models in comparison to other popular models. Our results indicate that our simple, interpretable models provide competitive baselines to popular generative models. Through this investigation, we offer a structured and robust evaluation scheme, thereby facilitating the development of models capable of generating accurate and edge-diverse graphs.

Deep Learning

Bowen Zheng, Da-Wei Zhou, Han-Jia Ye, De-Chuan Zhan

Class-Incremental Learning (CIL) seeks to learn new concepts without forgetting previously learned knowledge. To achieve this, rehearsal-based methods keep a replay memory consisting of a small number of trained samples from previous tasks. However, recent studies show that rehearsal-based methods are prone to overfitting on rehearsal samples, resulting in poor generalization on previous tasks. Since the generalization error is bounded by the margin on the training dataset, in this paper, we study the generalization by all-layer margin on deep neural networks to alleviate catastrophic forgetting. Specifically, we show that the average margin of the rehearsal samples are smaller during incremental learning. To acquire larger margin thus better generalization on rehearsal samples, we propose Multi-layer Rehearsal Feature Augmentation (MRFA) in rehearsal training to optimize the all-layer margin on rehearsal samples. The proposed method augments the features of rehearsal samples at each layer by gradient ascent step of the current model with respect to the feature. With such augmentations on layer features, the margin on rehearsal samples are larger, rehearsal samples are able to provide more information for refining the decision boundary during incremental learning, thus alleviating catastrophic forgetting. Extensive experiments show the effectiveness of MRFA on various CIL scenarios.

Miscellaneous Aspects of Machine Learning · Transfer, Multitask and Meta-learning

Songhua Liu, Xin Jin, Xingyi Yang, Jingwen Ye, Xinchao Wang

Single domain generalization (single DG) aims at learning a robust model generalizable to unseen domains from only one training domain, making it a highly ambitious and challenging task. State-of-the-art approaches have mostly relied on data augmentations, such as adversarial perturbation and style enhancement, to synthesize new data and thus increase robustness. Nevertheless, they have largely overlooked the underlying coherence between the augmented domains, which in turn leads to inferior results in real-world scenarios. In this paper, we propose a simple yet effective scheme, termed as *StyDeSty*, to explicitly account for the alignment of the source and pseudo domains in the process of data augmentation, enabling them to interact with each other in a self-consistent manner and further giving rise to a latent domain with strong generalization power. The heart of StyDeSty lies in the interaction between a *stylization* module for generating novel stylized samples using the source domain, and a *destylization* module for transferring stylized and source samples to a latent domain to learn content-invariant features. The stylization and destylization modules work adversarially and reinforce each other. During inference, the destylization module transforms the input sample with an arbitrary style shift to the latent domain, in which the downstream tasks are carried out. Specifically, the location of the destylization layer within the backbone network is determined by a dedicated neural architecture search (NAS) strategy. We evaluate StyDeSty on multiple benchmarks and demonstrate that it yields encouraging results, outperforming the state of the art by up to 13.44% on classification accuracy. Codes are available https://github.com/Huage001/StyDeSty.

Deep Learning · Other Representation Learning

Seungyeon Kim, Ankit Singh Rawat, Manzil Zaheer, Wittawat Jitkrittum, Veeranjaneyulu Sadhanala, Sadeep Jayasumana, Aditya Menon, Rob Fergus, Sanjiv Kumar

Modern information retrieval (IR) systems consists of multiple stages like retrieval and ranking, with Transformer-based models achieving state-of-the-art performance at each stage. In this paper, we challenge the tradition of using separate models for different stages and ask if a single Transformer encoder can provide relevance score needed in each stage. We present USTAD – a new unified approach to train a single network that can provide powerful ranking scores as a cross-encoder (CE) model as well as factorized embeddings for large-scale retrieval as a dual-encoder (DE) model. Empirically, we find a single USTAD model to be competitive to separate ranking CE and retrieval DE models. Furthermore, USTAD combines well with a novel embedding matching-based distillation, significantly improving CE to DE distillation. It further motivates novel asymmetric architectures for student models to ensure a better embedding alignment between the student and the teacher while ensuring small online inference cost. On standard benchmarks like MSMARCO, we demonstrate that USTAD with our proposed distillation method leads to asymmetric students with only 1/10th trainable parameter but retaining 95-97% of the teacher performance.