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

Jun-Peng Jiang, Han-Jia Ye, Leye Wang, Yang Yang, Yuan Jiang, De-Chuan Zhan

Transferring knowledge across diverse data modalities is receiving increasing attention in machine learning. This paper tackles the task of leveraging expert-derived, yet expensive, tabular data to enhance image-based predictions when tabular data is unavailable during inference. The primary challenges stem from the inherent complexity of accurately mapping diverse tabular data to visual contexts, coupled with the necessity to devise distinct strategies for numerical and categorical tabular attributes. We propose CHannel tAbulaR alignment with optiMal tranSport (Charms), which establishes an alignment between image channels and tabular attributes, enabling selective knowledge transfer that is pertinent to visual features. Specifically, Charms measures similarity distributions across modalities to effectively differentiate and transfer relevant tabular features, with a focus on morphological characteristics, enhancing the capabilities of visual classifiers. By maximizing the mutual information between image channels and tabular features, knowledge from both numerical and categorical tabular attributes are extracted. Experimental results demonstrate that Charms not only enhances the performance of image classifiers but also improves their interpretability by effectively utilizing tabular knowledge.

Miscellaneous Aspects of Machine Learning · Everything Else

Martina G. Vilas, Federico Adolfi, David Poeppel, Gemma Roig

Inner Interpretability is a promising emerging field tasked with uncovering the inner mechanisms of AI systems, though how to develop these mechanistic theories is still much debated. Moreover, recent critiques raise issues that question its usefulness to advance the broader goals of AI. However, it has been overlooked that these issues resemble those that have been grappled with in another field: Cognitive Neuroscience. Here we draw the relevant connections and highlight lessons that can be transferred productively between fields. Based on these, we propose a general conceptual framework and give concrete methodological strategies for building mechanistic explanations in AI inner interpretability research. With this conceptual framework, Inner Interpretability can fend off critiques and position itself on a productive path to explain AI systems.

Deep Learning · Self-Supervised Learning

Yifan Zhang, Zhiquan Tan, Jingqin Yang, Weiran Huang, Yang Yuan

The maximum entropy encoding framework provides a unified perspective for many non-contrastive learning methods like SimSiam, Barlow Twins, and MEC. Inspired by this framework, we introduce Matrix-SSL, a novel approach that leverages matrix information theory to interpret the maximum entropy encoding loss as matrix uniformity loss. Furthermore, Matrix-SSL enhances the maximum entropy encoding method by seamlessly incorporating matrix alignment loss, directly aligning covariance matrices in different branches. Experimental results reveal that Matrix-SSL outperforms state-of-the-art methods on the ImageNet dataset under linear evaluation settings and on MS-COCO for transfer learning tasks. Specifically, when performing transfer learning tasks on MS-COCO, our method outperforms previous SOTA methods such as MoCo v2 and BYOL up to 3.3% with only 400 epochs compared to 800 epochs pre-training. We also try to introduce representation learning into the language modeling regime by fine-tuning a 7B model using matrix cross-entropy loss, with a margin of 3.1% on the GSM8K dataset over the standard cross-entropy loss.

Social Aspects · Trustworthy Machine Learning

Lirui Luo, Guoxi Zhang, Hongming Xu, Yaodong Yang, Cong Fang, Qing Li

Neuro-symbolic reinforcement learning (NS-RL) has emerged as a promising paradigm for explainable decision-making, characterized by the interpretability of symbolic policies. NS-RL entails structured state representations for tasks with visual observations, but previous methods cannot refine the structured states with rewards due to a lack of efficiency. Accessibility also remains an issue, as extensive domain knowledge is required to interpret symbolic policies. In this paper, we present a neuro-symbolic framework for jointly learning structured states and symbolic policies, whose key idea is to distill the vision foundation model into an efficient perception module and refine it during policy learning. Moreover, we design a pipeline to prompt GPT-4 to generate textual explanations for the learned policies and decisions, significantly reducing users' cognitive load to understand the symbolic policies. We verify the efficacy of our approach on nine Atari tasks and present GPT-generated explanations for policies and decisions.

Social Aspects · Trustworthy Machine Learning

Zichuan Liu, Tianchun Wang, Jimeng Shi, Xu Zheng, Zhuomin Chen, Lei Song, Wenqian Dong, Jayantha Obeysekera, Farhad Shirani, Dongsheng Luo

Explaining deep learning models operating on time series data is crucial in various applications of interest which require interpretable and transparent insights from time series signals. In this work, we investigate this problem from an information theoretic perspective and show that most existing measures of explainability may suffer from trivial solutions and distributional shift issues. To address these issues, we introduce a simple yet practical objective function for time series explainable learning. The design of the objective function builds upon the principle of information bottleneck (IB), and modifies the IB objective function to avoid trivial solutions and distributional shift issues. We further present TimeX++, a novel explanation framework that leverages a parametric network to produce explanation-embedded instances that are both in-distributed and label-preserving. We evaluate TimeX++ on both synthetic and real-world datasets comparing its performance against leading baselines, and validate its practical efficacy through case studies in a real-world environmental application. Quantitative and qualitative evaluations show that TimeX++ outperforms baselines across all datasets, demonstrating a substantial improvement in explanation quality for time series data. The source code is available at https://github.com/zichuan-liu/TimeXplusplus.

Social Aspects · Accountability, Transparency and Interpretability

Kentaro Kanamori, Takuya Takagi, Ken Kobayashi, Yuichi Ike

This paper proposes a new algorithm for learning accurate tree-based models while ensuring the existence of recourse actions. Algorithmic Recourse (AR) aims to provide a recourse action for altering the undesired prediction result given by a model. Typical AR methods provide a reasonable action by solving an optimization task of minimizing the required effort among executable actions. In practice, however, such actions do not always exist for models optimized only for predictive performance. To alleviate this issue, we formulate the task of learning an accurate classification tree under the constraint of ensuring the existence of reasonable actions for as many instances as possible. Then, we propose an efficient top-down greedy algorithm by leveraging the adversarial training techniques. We also show that our proposed algorithm can be applied to the random forest, which is known as a popular framework for learning tree ensembles. Experimental results demonstrated that our method successfully provided reasonable actions to more instances than the baselines without significantly degrading accuracy and computational efficiency.

Deep Learning · Attention Mechanisms

Jerry Yao-Chieh Hu, Pei-Hsuan Chang, Haozheng Luo, Hong-Yu Chen, Weijian Li, Wei-Po Wang, Han Liu

We introduce an Outlier-Efficient Modern Hopfield Model (termed `OutEffHop`) and use it to address the outlier inefficiency problem of training gigantic transformer-based models. Our main contribution is a novel associative memory model facilitating _outlier-efficient_ associative memory retrievals. Interestingly, this memory model manifests a model-based interpretation of an outlier-efficient attention mechanism (`Softmax_1`): it is an approximation of the memory retrieval process of `OutEffHop`. Methodologically, this allows us to introduce novel outlier-efficient Hopfield layers as powerful alternatives to traditional attention mechanisms, with superior post-quantization performance. Theoretically, the Outlier-Efficient Modern Hopfield Model retains and improves the desirable properties of standard modern Hopfield models, including fixed point convergence and exponential storage capacity. Empirically, we demonstrate the efficacy of the proposed model across large-scale transformer-based and Hopfield-based models (including BERT, OPT, ViT, and STanHop-Net), benchmarking against state-of-the-art methods like `Clipped_Softmax` and `Gated_Attention`. Notably, `OutEffHop` achieves an average reduction of 22+% in average kurtosis and 26+% in the maximum infinity norm of model outputs across four models. Code is available at [GitHub](https://github.com/MAGICS-LAB/OutEffHop); future updates are on [arXiv](https://arxiv.org/abs/2404.03828).

Social Aspects · Accountability, Transparency and Interpretability

Weixin Liang, Zachary Izzo, Yaohui Zhang, Haley Lepp, Hancheng Cao, Xuandong Zhao, Lingjiao Chen, Haotian Ye, Sheng Liu, Zhi Huang 等

We present an approach for estimating the fraction of text in a large corpus which is likely to be substantially modified or produced by a large language model (LLM). Our maximum likelihood model leverages expert-written and AI-generated reference texts to accurately and efficiently examine real-world LLM-use at the corpus level. We apply this approach to a case study of scientific peer review in AI conferences that took place after the release of ChatGPT: *ICLR* 2024, *NeurIPS* 2023, *CoRL* 2023 and *EMNLP* 2023. Our results suggest that between 6.5% and 16.9% of text submitted as peer reviews to these conferences could have been substantially modified by LLMs, i.e. beyond spell-checking or minor writing updates. The circumstances in which generated text occurs offer insight into user behavior: the estimated fraction of LLM-generated text is higher in reviews which report lower confidence, were submitted close to the deadline, and from reviewers who are less likely to respond to author rebuttals. We also observe corpus-level trends in generated text which may be too subtle to detect at the individual level, and discuss the implications of such trends on peer review. We call for future interdisciplinary work to examine how LLM use is changing our information and knowledge practices.

Dashiell Stander, Qinan Yu, Honglu Fan, Stella Biderman

The complex and unpredictable nature of deep neural networks prevents their safe use in many high-stakes applications. There have been many techniques developed to interpret deep neural networks, but all have substantial limitations. Algorithmic tasks have proven to be a fruitful test ground for interpreting a neural network end-to-end. Building on previous work, we completely reverse engineer fully connected one-hidden layer networks that have ``grokked'' the arithmetic of the permutation groups $S_5$ and $S_6$. The models discover the true subgroup structure of the full group and converge on neural circuits that decompose the group arithmetic using the permutation group's subgroups. We relate how we reverse engineered the model's mechanisms and confirmed our theory was a faithful description of the circuit's functionality. We also draw attention to current challenges in conducting interpretability research by comparing our work to Chughtai et al. (2023) which alleges to find a different algorithm for this same problem.

Social Aspects · Accountability, Transparency and Interpretability

Gautam Machiraju, Alexander Derry, Arjun Desai, Neel Guha, Amir-Hossein Karimi, James Zou, Russ B Altman, Christopher Re, Parag Mallick

Feature attribution, the ability to localize regions of the input data that are relevant for classification, is an important capability for ML models in scientific and biomedical domains. Current methods for feature attribution, which rely on "explaining" the predictions of end-to-end classifiers, suffer from imprecise feature localization and are inadequate for use with small sample sizes and high-dimensional datasets due to computational challenges. We introduce prospector heads, an efficient and interpretable alternative to explanation-based attribution methods that can be applied to any encoder and any data modality. Prospector heads generalize across modalities through experiments on sequences (text), images (pathology), and graphs (protein structures), outperforming baseline attribution methods by up to 26.3 points in mean localization AUPRC. We also demonstrate how prospector heads enable improved interpretation and discovery of class-specific patterns in input data. Through their high performance, flexibility, and generalizability, prospectors provide a framework for improving trust and transparency for ML models in complex domains.

Social Aspects · Accountability, Transparency and Interpretability

Ian Covert, Wenlong Ji, Tatsunori Hashimoto, James Zou

Recent works have shown that machine learning models improve at a predictable rate with the amount of training data, leading to scaling laws that describe the relationship between error and dataset size. These scaling laws can help determine a model's training dataset, but they take an aggregate view of the data by only considering the dataset's size. We consider a new perspective by investigating scaling behavior for the value of individual data points: we find that a data point's contribution to model's performance shrinks predictably with the size of the dataset in a log-linear manner. Interestingly, there is significant variability in the scaling exponent among different data points, indicating that certain points are more valuable in small datasets and other points are relatively more useful as a part of large datasets. We provide learning theory support for our scaling laws and we observe empirically that it holds across several model classes. We further propose a maximum likelihood estimator and an amortized estimator to efficiently learn the individualized scaling behaviors from a small number of noisy observations per data point. Using our efficient estimators, we provide insights into factors that influence the scaling behavior of different data points. Finally we demonstrate applications of the individualized scaling laws to data valuation and data subset selection.

Social Aspects · Accountability, Transparency and Interpretability

Jiachen Wang, Tianji Yang, James Zou, Yongchan Kwon, Ruoxi Jia

Data Shapley provides a principled approach to data valuation and plays a crucial role in data-centric machine learning (ML) research. Data selection is considered a standard application of Data Shapley. However, its data selection performance has shown to be inconsistent across settings in the literature. This study aims to deepen our understanding of this phenomenon. We introduce a hypothesis testing framework and show that Data Shapley's performance can be no better than random selection without specific constraints on utility functions. We identify a class of utility functions, monotonically transformed modular functions, within which Data Shapley optimally selects data. Based on this insight, we propose a heuristic for predicting Data Shapley’s effectiveness in data selection tasks. Our experiments corroborate these findings, adding new insights into when Data Shapley may or may not succeed.

Social Aspects · Accountability, Transparency and Interpretability

Hengyi Wang, Shiwei Tan, Hao Wang

Vision transformers (ViTs) have emerged as a significant area of focus, particularly for their capacity to be jointly trained with large language models and to serve as robust vision foundation models. Yet, the development of trustworthy explanation methods for ViTs has lagged, particularly in the context of post-hoc interpretations of ViT predictions. Existing sub-image selection approaches, such as feature-attribution and conceptual models, fall short in this regard. This paper proposes five desiderata for explaining ViTs -- faithfulness, stability, sparsity, multi-level structure, and parsimony -- and demonstrates the inadequacy of current methods in meeting these criteria comprehensively. We introduce a variational Bayesian explanation framework, dubbed ProbAbilistic Concept Explainers (PACE), which models the distributions of patch embeddings to provide trustworthy post-hoc conceptual explanations. Our qualitative analysis reveals the distributions of patch-level concepts, elucidating the effectiveness of ViTs by modeling the joint distribution of patch embeddings and ViT's predictions. Moreover, these patch-level explanations bridge the gap between image-level and dataset-level explanations, thus completing the multi-level structure of PACE. Through extensive experiments on both synthetic and real-world datasets, we demonstrate that PACE surpasses state-of-the-art methods in terms of the defined desiderata.

Social Aspects · Accountability, Transparency and Interpretability

Xuhong Li, Jiamin Chen, Yekun Chai, Haoyi Xiong

While large language models (LLMs) surge with the rise of generative AI, algorithms to explain LLMs highly desire. Existing feature attribution methods adequate for discriminative language models like BERT often fail to deliver faithful explanations for LLMs, primarily due to two issues: (1) For every specific prediction, the LLM outputs a probability distribution over the vocabulary–a large number of tokens with unequal semantic distance; (2) As an autoregressive language model, the LLM handles input tokens while generating a sequence of probability distributions of various tokens. To address above two challenges, this work proposes GiLOT that leverages Optimal Transport to measure the distributional change of all possible generated sequences upon the absence of every input token, while taking into account the tokens’ similarity, so as to faithfully estimate feature attribution for LLMs. We have carried out extensive experiments on top of Llama families and their fine-tuned derivatives across various scales to validate the effectiveness of GiLOT for estimating the input attributions. The results show that GiLOT outperforms existing solutions on a number of faithfulness metrics under fair comparison settings. Source code is publicly available at https://github.com/holyseven/GiLOT.

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

Gabriela Kadlecová, Jovita Lukasik, Martin Pilát, Petra Vidnerová, Mahmoud Safari, Roman Neruda, Frank Hutter

Performance prediction has been a key part of the neural architecture search (NAS) process, allowing to speed up NAS algorithms by avoiding resource-consuming network training. Although many performance predictors correlate well with ground truth performance, they require training data in the form of trained networks. Recently, zero-cost proxies have been proposed as an efficient method to estimate network performance without any training. However, they are still poorly understood, exhibit biases with network properties, and their performance is limited. Inspired by the drawbacks of zero-cost proxies, we propose neural graph features (GRAF), simple to compute properties of architectural graphs. GRAF offers fast and interpretable performance prediction while outperforming zero-cost proxies and other common encodings. In combination with other zero-cost proxies, GRAF outperforms most existing performance predictors at a fraction of the cost.

Miscellaneous Aspects of Machine Learning · Representation Learning

Zhengqi Pei, Anran Zhang, Shuhui Wang, Xiangyang Ji, Qingming Huang

Neural models are equivalent to dynamic systems from a physics-inspired view, implying that computation on neural networks can be interpreted as the dynamical interactions between neurons. However, existing work models neuronal interaction as a weight-based linear transformation, and the nonlinearity comes from the nonlinear activation functions, which leads to limited nonlinearity and data-fitting ability of the whole neural model. Inspired by Riemannian geometry, we interpret neural structures by projecting neurons onto the Riemannian neuronal state space and model neuronal interaction with Riemannian metric (${\it RieM}$), which provides a more efficient neural representation with higher parameter efficiency. With ${\it RieM}$, we further design a novel data-free neural compression mechanism that does not require additional fine-tuning with real data. Using backbones like ResNet and Vision Transformer, we conduct extensive experiments on datasets such as MNIST, CIFAR-100, ImageNet-1k, and COCO object detection. Empirical results show that, under equal compression rates and computational complexity, models compressed with ${\it RieM}$ achieve superior inference accuracy compared to existing data-free compression methods.

Probabilistic Methods · Bayesian Models and Methods

Yosra MARNISSI, Maxime Leiber

This paper presents a comprehensive Bayesian framework for FANOVA models. We provide guidelines for tuning and practical implementation to improve scalability of learning and prediction. Our model is very flexible and can handle different levels of sparsity across and within decomposition orders, as well as among covariates. This flexibility enables the modeling of complex real-world data while enhancing interpretability. Additionally, it allows our model to unify diverse deterministic and Bayesian non-parametric approaches into a single equation, making comparisons and understanding easier. Notably, our model serves as the Bayesian counterpart of several deterministic methods allowing uncertainty quantification. This general framework unlocks potential for novel model developments that have been previously overlooked, such as the proposed Dirichlet mixing model that addresses limitations of existing models.

Miscellaneous Aspects of Machine Learning · Causality

Jonas Schweisthal, Dennis Frauen, M van der Schaar, Stefan Feuerriegel

Estimating the conditional average treatment effect (CATE) from observational data is relevant for many applications such as personalized medicine. Here, we focus on the widespread setting where the observational data come from multiple environments, such as different hospitals, physicians, or countries. Furthermore, we allow for violations of standard causal assumptions, namely, overlap within the environments and unconfoundedness. To this end, we move away from point identification and focus on partial identification. Specifically, we show that current assumptions from the literature on multiple environments allow us to interpret the environment as an instrumental variable (IV). This allows us to adapt bounds from the IV literature for partial identification of CATE by leveraging treatment assignment mechanisms across environments. Then, we propose different model-agnostic learners (so-called meta-learners) to estimate the bounds that can be used in combination with arbitrary machine learning models. We further demonstrate the effectiveness of our meta-learners across various experiments using both simulated and real-world data. Finally, we discuss the applicability of our meta-learners to partial identification in instrumental variable settings, such as randomized controlled trials with non-compliance.

Deep Learning · Large Language Models

Brian Chen, Tianyang Hu, Hui Jin, Hwee Lee, Kenji Kawaguchi

In-Context Learning (ICL) has been a powerful emergent property of large language models that has attracted increasing attention in recent years. In contrast to regular gradient-based learning, ICL is highly interpretable and does not require parameter updates. In this paper, we show that, for linearized transformer networks, ICL can be made explicit and permanent through the inclusion of bias terms. We mathematically demonstrate the equivalence between a model with ICL demonstration prompts and the same model with the additional bias terms. Our algorithm (ICLCA) allows for exact conversion in an inexpensive manner. Existing methods are not exact and require expensive parameter updates. We demonstrate the efficacy of our approach through experiments that show the exact incorporation of ICL tokens into a linear transformer. We further suggest how our method can be adapted to achieve cheap approximate conversion of ICL tokens, even in regular transformer networks that are not linearized. Our experiments on GPT-2 show that, even though the conversion is only approximate, the model still gains valuable context from the included bias terms.

Applications · Time Series

Shikai Fang, Qingsong Wen, Yingtao Luo, Shandian Zhe, Liang Sun

In real-world scenarios such as traffic and energy management, we frequently encounter large volumes of time-series data characterized by missing values, noise, and irregular sampling patterns. While numerous imputation methods have been proposed, the majority tend to operate within a local horizon, which involves dividing long sequences into batches of fixed-length segments for model training. This local horizon often leads to the overlooking of global trends and periodic patterns. More importantly, most methods assume the observations are sampled at regular timestamps, and fail to handle complex irregular sampled time series in various applications. Additionally, most existing methods are learned in an offline manner. Thus, it is not suitable for applications with rapidly arriving streaming data. To address these challenges, we propose BayOTIDE: Bayesian Online Multivariate Time series Imputation with functional decomposition. Our method conceptualizes multivariate time series as the weighted combination of groups of low-rank temporal factors with different patterns. We employ a suite of Gaussian Processes (GPs),each with a unique kernel, as functional priors to model these factors. For computational efficiency, we further convert the GPs into a state-space prior by constructing an equivalent stochastic differential equation (SDE), and developing a scalable algorithm for online inference. The proposed method can not only handle imputation over arbitrary timestamps, but also offer uncertainty quantification and interpretability for the downstream application. We evaluate our method on both synthetic and real-world datasets. We release the code at https://github.com/xuangu-fang/BayOTIDE.