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Social Aspects · Accountability, Transparency and Interpretability

Songning Lai, Lijie Hu, Junxiao Wang, Laure Berti-Equille, Di Wang

The demand for transparency in healthcare and finance has led to interpretable machine learning (IML) models, notably the concept bottleneck models (CBMs), valued for their potential in performance and insights into deep neural networks. However, CBM's reliance on manually annotated data poses challenges. Label-free CBMs have emerged to address this, but they remain unstable, affecting their faithfulness as explanatory tools. To address this issue of inherent instability, we introduce a formal definition for an alternative concept called the Faithful Vision-Language Concept (FVLC) model. We present a methodology for constructing an FVLC that satisfies four critical properties. Our extensive experiments on four benchmark datasets using Label-free CBM model architectures demonstrate that our FVLC outperforms other baselines regarding stability against input and concept set perturbations. Our approach incurs minimal accuracy degradation compared to the vanilla CBM, making it a promising solution for reliable and faithful model interpretation.

Deep Learning · Large Language Models

Feiyang Kang, Hoang Anh Just, Yifan Sun, Himanshu Jahagirdar, Yuanzhi Zhang, Rongxing Du, Anit Kumar Sahu, Ruoxi Jia

This work focuses on leveraging and selecting from vast, unlabeled, open data to *pre-fine-tune* a pre-trained language model. The goal is to minimize the need for costly domain-specific data for subsequent fine-tuning while achieving desired performance levels. While many data selection algorithms have been designed for small-scale applications, rendering them unsuitable for our context, some emerging methods do cater to language data scales. However, they often prioritize data that aligns with the target distribution. While this strategy may be effective when training a model from scratch, it can yield limited results when the model has already been pre-trained on a different distribution. Differing from prior work, our key idea is to select data that nudges the pre-training distribution closer to the target distribution. We show the optimality of this approach for fine-tuning tasks under certain conditions. We demonstrate the efficacy of our methodology across a diverse array of tasks (NLU, NLG, zero-shot) with models up to 2.7B, showing that it consistently surpasses other selection methods. Moreover, our proposed method is significantly faster than existing techniques, scaling to millions of samples within a single GPU hour. Our code is open-sourced. While fine-tuning offers significant potential for enhancing performance across diverse tasks, its associated costs often limit its widespread adoption; with this work, we hope to lay the groundwork for cost-effective fine-tuning, making its benefits more accessible.

Tianxin Wei, Bowen Jin, Ruirui Li, Hansi Zeng, Zhengyang Wang, Jianhui Sun, Qingyu Yin, Hanqing Lu, Suhang Wang, Jingrui He 等

Developing a universal model that can effectively harness heterogeneous resources and respond to a wide range of personalized needs has been a longstanding community aspiration. Our daily choices, especially in domains like fashion and retail, are substantially shaped by multi-modal data, such as pictures and textual descriptions. These modalities not only offer intuitive guidance but also cater to personalized user preferences. However, the predominant personalization approaches mainly focus on ID or text-based recommendation problems, failing to comprehend the information spanning various tasks or modalities. In this paper, our goal is to establish a Unified paradigm for Multi-modal Personalization systems (UniMP), which effectively leverages multi-modal data while eliminating the complexities associated with task- and modality-specific customization. We argue that the advancements in foundational generative modeling have provided the flexibility and effectiveness necessary to achieve the objective. In light of this, we develop a generic and extensible personalization generative framework, that can handle a wide range of personalized needs including item recommendation, product search, preference prediction, explanation generation, and further user-guided image generation. Our methodology enhances the capabilities of foundational language models for personalized tasks by seamlessly ingesting interleaved cross-modal user history information, ensuring a more precise and customized experience for users. To train and evaluate the proposed multi-modal personalized tasks, we also introduce a novel and comprehensive benchmark covering a variety of user requirements. Our experiments on the real-world benchmark showcase the model's potential, outperforming competitive methods specialized for each task.

Deep Learning · Large Language Models

Fred Zhang, Neel Nanda

Mechanistic interpretability seeks to understand the internal mechanisms ofmachine learning models, where localization—identifying the important modelcomponents—is a key step. Activation patching, also known as causal tracing orinterchange intervention, is a standard technique for this task (Vig et al., 2020), butthe literature contains many variants with little consensus on the choice of hyperparameters or methodology. In this work, we systematically examine the impactof methodological details in activation patching, including evaluation metrics andcorruption methods. In several settings of localization and circuit discovery in language models, we find that varying these hyperparameters could lead to disparateinterpretability results. Backed by empirical observations, we give conceptual arguments for why certain metrics or methods may be preferred. Finally, we providerecommendations for the best practices of activation patching going forwards.

Optimization · Large Scale, Parallel and Distributed

Ruqi Bai, Saurabh Bagchi, David Inouye

While prior federated learning (FL) methods mainly consider client heterogeneity, we focus on the *Federated Domain Generalization (DG)* task, which introduces train-test heterogeneity in the FL context. Existing evaluations in this field are limited in terms of the scale of the clients and dataset diversity. Thus, we propose a Federated DG benchmark that aim to test the limits of current methods with high client heterogeneity, large numbers of clients, and diverse datasets. Towards this objective, we introduce a novel data partition method that allows us to distribute any domain dataset among few or many clients while controlling client heterogeneity. We then introduce and apply our methodology to evaluate 14 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 on 7 datasets. Our results suggest that, despite some progress, significant performance gaps remain in Federated DG, especially when evaluating with a large number of clients, high client heterogeneity, or more realistic datasets. Furthermore, our extendable benchmark code will be publicly released to aid in benchmarking future Federated DG approaches.

Applications · Computer Vision

Kim-Celine Kahl, Carsten Lüth, Maximilian Zenk, Klaus Maier-Hein, Paul F. Jaeger

Uncertainty estimation is an essential and heavily-studied component for the reliable application of semantic segmentation methods. While various studies exist claiming methodological advances on the one hand, and successful application on the other hand, the field is currently hampered by a gap between theory and practice leaving fundamental questions unanswered: Can data-related and model-related uncertainty really be separated in practice? Which components of an uncertainty method are essential for real-world performance? Which uncertainty method works well for which application? In this work, we link this research gap to a lack of systematic and comprehensive evaluation of uncertainty methods. Specifically, we identify three key pitfalls in current literature and present an evaluation framework that bridges the research gap by providing 1) a controlled environment for studying data ambiguities as well as distribution shifts, 2) systematic ablations of relevant method components, and 3) test-beds for the five predominant uncertainty applications: OoD-detection, active learning, failure detection, calibration, and ambiguity modeling. Empirical results on simulated as well as real-world data demonstrate how the proposed framework is able to answer the predominant questions in the field revealing for instance that 1) separation of uncertainty types works on simulated data but does not necessarily translate to real-world data, 2) aggregation of scores is a crucial but currently neglected component of uncertainty methods, 3) While ensembles are performing most robustly across the different downstream tasks and settings, test-time augmentation often constitutes a light-weight alternative. Code is at: https://github.com/IML-DKFZ/values

Deep Learning · Self-Supervised Learning

Marin Scalbert, Maria Vakalopoulou, Florent Couzinie-Devy

In Self-Supervised Learning (SSL), models are typically pretrained, fine-tuned, and evaluated on the same domains. However, they tend to perform poorly when evaluated on unseen domains, a challenge that Unsupervised Domain Generalization (UDG) seeks to address. Current UDG methods rely on domain labels, which are often challenging to collect, and domain-specific architectures that lack scalability when confronted with numerous domains, making the current methodology impractical and rigid. Inspired by contrastive-based UDG methods that mitigate spurious correlations by restricting comparisons to examples from the same domain, we hypothesize that eliminating style variability within a batch could provide a more convenient and flexible way to reduce spurious correlations without requiring domain labels. To verify this hypothesis, we introduce Batch Styles Standardization (BSS), a relatively simple yet powerful Fourier-based method to standardize the style of images in a batch specifically designed for integration with SSL methods to tackle UDG. Combining BSS with existing SSL methods offers serious advantages over prior UDG methods: (1) It eliminates the need for domain labels or domain-specific network components to enhance domain-invariance in SSL representations, and (2) offers flexibility as BSS can be seamlessly integrated with diverse contrastive-based but also non-contrastive-based SSL methods. Experiments on several UDG datasets demonstrate that it significantly improves downstream task performances on unseen domains, often outperforming or rivaling UDG methods. Finally, this work clarifies the underlying mechanisms contributing to BSS's effectiveness in improving domain-invariance in SSL representations and performances on unseen domains. Implementations of the extended SSL methods and BSS are provided at this [url](https://gitlab.com/vitadx/articles/towards-domain-invariant-ssl-through-bss).

Optimization · Sampling and Optimization

Nick Richardson, Deniz Oktay, Yaniv Ovadia, James Bowden, Ryan P Adams

Integrals with discontinuous integrands are ubiquitous, arising from discrete structure in applications like topology optimization, graphics, and computational geometry. These integrals are often part of a forward model in an inverse problem where it is necessary to reason backwards about the parameters, ideally using gradient-based optimization. Monte Carlo methods are widely used to estimate the value of integrals, but this results in a non-differentiable approximation that is amenable to neither conventional automatic differentiation nor reparameterization-based gradient methods. This significantly disrupts efforts to integrate machine learning methods in areas that exhibit these discontinuities: physical simulation and robotics, design, graphics, and computational geometry. Although bespoke domain-specific techniques can handle special cases, a general methodology to wield automatic differentiation in these discrete contexts is wanting. We introduce a differentiable variant of the simple Monte Carlo estimator which samples line segments rather than points from the domain. We justify our estimator analytically as conditional Monte Carlo and demonstrate the diverse functionality of the method as applied to image stylization, topology optimization, and computational geometry.

Deep Learning · Large Language Models

Min Xue, Artur Andrzejak, Marla Leuther

Transformer-based machine translation models currently dominate the field of model-based program translation. However, these models fail to provide interpretative support for the generated program translations. Moreover, researchers frequently invest substantial time and computational resources in retraining models, yet the improvement in translation accuracy is quite limited. To address these issues, we introduce a novel approach, $k\text{NN-ECD}$, which combines $k$-nearest-neighbor search with a key-value error correction datastore to overwrite the wrong translations of TransCoder-ST. This provides a decision-making basis for interpreting the corrected translations. Building upon this, we further propose $k\text{NN-ECS}_{m}$, a methodology that employs a distributed structure with $m$ sub-datastores connected in series, utilizing $m$ diverse experts for multi-round error correction. Additionally, we put forward a unified name rule, encouraging the datastore to focus more on code logic and structure rather than diverse rare identifiers. Our experimental results show that our approach improves the translation accuracy from 68.9\% to 89.9\% of TransCoder-ST (for translation from Java to Python). This error correction method augments program translation, overcoming the inherent limitations of Transformer-based code translation models, such as resource-intensive retraining requirements and uninterpretable outcomes.

Deep Learning · Other Representation Learning

Binghui Xie, Yatao Bian, Kaiwen Zhou, Yongqiang Chen, Peilin Zhao, Bo Han, Wei Meng, James Cheng

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

Deep Learning · Robustness

Hyungyu Lee, Saehyung Lee, Hyemi Jang, Junsung Park, Ho Bae, Sungroh Yoon

The disparity in accuracy between classes in standard training is amplified during adversarial training, a phenomenon termed the robust fairness problem. Existing methodologies aimed to enhance robust fairness by sacrificing the model's performance on easier classes in order to improve its performance on harder ones. However, we observe that under adversarial attacks, the majority of the model's predictions for samples from the worst class are biased towards classes similar to the worst class, rather than towards the easy classes. Through theoretical and empirical analysis, we demonstrate that robust fairness deteriorates as the distance between classes decreases. Motivated by these insights, we introduce the Distance-Aware Fair Adversarial Training (DAFA) methodology, which addresses robust fairness by taking into account the similarities between classes. Specifically, our method assigns distinct adversarial margins and loss weights to each class and adjusts them to encourage a trade-off in robustness among similar classes. Experimental results across various datasets demonstrate that our method not only maintains average robust accuracy but also significantly improves the worst robust accuracy, indicating a marked improvement in robust fairness compared to existing methods.

Deep Learning · Large Language Models

Dingli Yu, Simran Kaur, Arushi Gupta, Jonah Brown-Cohen, Anirudh Goyal, Sanjeev Arora

With LLMs shifting their role from statistical modeling of language to serving as general-purpose AI agents, how should LLM evaluations change? Arguably, a key ability of an AI agent is to flexibly combine, as needed, the basic skills it has learned. The capability to combine skills plays an important role in (human) pedagogy and also in a paper on emergence phenomena (Arora & Goyal, 2023).This work introduces SKILL-MIX, a new evaluation to measure ability to combine skills. Using a list of $N$ skills the evaluator repeatedly picks random subsets of $k$ skills and asks the LLM to produce text combining that subset of skills. Since the number of subsets grows like $N^k$, for even modest $k$ this evaluation will, with high probability, require the LLM to produce text significantly different from any text in the training set. The paper develops a methodology for (a) designing and administering such an evaluation, and (b) automatic grading (plus spot-checking by humans) of the results using GPT-4 as well as the open LLaMA-2 70B model. Administering a version of SKILL-MIX to popular chatbots gave results that, while generally in line with prior expectations, contained surprises. Sizeable differences exist among model capabilities that are not captured by their ranking on popular LLM leaderboards ("cramming for the leaderboard"). Furthermore, simple probability calculations indicate that GPT-4's reasonable performance on $k=5$ is suggestive of going beyond "stochastic parrot" behavior (Bender et al., 2021), i.e., it combines skills in ways that it had not seen during training.We sketch how the methodology can lead to a SKILL-MIX based eco-system of open evaluations for AI capabilities of future models. We maintain a leaderboard of SKILL-MIX at [https://skill-mix.github.io](https://skill-mix.github.io).

Deep Learning · Large Language Models

Sehyun Kwon, Jaden Park, Minkyu Kim, Jaewoong Cho, Ernest K Ryu, Kangwook Lee

Classical clustering methods do not provide users with direct control of the clustering results, and the clustering results may not be consistent with the relevant criterion that a user has in mind. In this work, we present a new methodology for performing image clustering based on user-specified criteria in the form of text by leveraging modern Vision-Language Models and Large Language Models. We call our method Image Clustering Conditioned on Text Criteria (IC$|$TC), and it represents a different paradigm of image clustering. IC$|$TC requires a minimal and practical degree of human intervention and grants the user significant control over the clustering results in return. Our experiments show that IC$|$TC can effectively cluster images with various criteria, such as human action, physical location, or the person's mood, significantly outperforming baselines.

Deep Learning · Large Language Models

Jie Huang, Xinyun Chen, Swaroop Mishra, Huaixiu Steven Zheng, Adams Yu, Xinying Song, Denny Zhou

Large Language Models (LLMs) have emerged as a groundbreaking technology with their unparalleled text generation capabilities across various applications. Nevertheless, concerns persist regarding the accuracy and appropriateness of their generated content. A contemporary methodology, self-correction, has been proposed as a remedy to these issues. Building upon this premise, this paper critically examines the role and efficacy of self-correction within LLMs, shedding light on its true potential and limitations. Central to our investigation is the notion of intrinsic self-correction, whereby an LLM attempts to correct its initial responses based solely on its inherent capabilities, without the crutch of external feedback. In the context of reasoning, our research indicates that LLMs struggle to self-correct their responses without external feedback, and at times, their performance even degrades after self-correction. Drawing from these insights, we offer suggestions for future research and practical applications in this field.

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

Sebastian Pineda Arango, Fabio Ferreira, Arlind Kadra, Frank Hutter, Josif Grabocka

With the ever-increasing number of pretrained models, machine learning practitioners are continuously faced with which pretrained model to use, and how to finetune it for a new dataset. In this paper, we propose a methodology that jointly searches for the optimal pretrained model and the hyperparameters for finetuning it. Our method transfers knowledge about the performance of many pretrained models with multiple hyperparameter configurations on a series of datasets. To this aim, we evaluated over 20k hyperparameter configurations for finetuning 24 pretrained image classification models on 87 datasets to generate a large-scale meta-dataset. We meta-learn a gray-box performance predictor on the learning curves of this meta-dataset and use it for fast hyperparameter optimization on new datasets. We empirically demonstrate that our resulting approach can quickly select an accurate pretrained model for a new dataset together with its optimal hyperparameters.

Optimization · Large Scale, Parallel and Distributed

Shiqiang Wang, Mingyue Ji

In federated learning (FL), clients usually have diverse participation statistics that are unknown a priori, which can significantly harm the performance of FL if not handled properly. Existing works aiming at addressing this problem are usually based on global variance reduction, which requires a substantial amount of additional memory in a multiplicative factor equal to the total number of clients. An important open problem is to find a lightweight method for FL in the presence of clients with unknown participation rates. In this paper, we address this problem by adapting the aggregation weights in federated averaging (FedAvg) based on the participation history of each client. We first show that, with heterogeneous participation statistics, FedAvg with non-optimal aggregation weights can diverge from the optimal solution of the original FL objective, indicating the need of finding optimal aggregation weights. However, it is difficult to compute the optimal weights when the participation statistics are unknown. To address this problem, we present a new algorithm called FedAU, which improves FedAvg by adaptively weighting the client updates based on online estimates of the optimal weights without knowing the statistics of client participation. We provide a theoretical convergence analysis of FedAU using a novel methodology to connect the estimation error and convergence. Our theoretical results reveal important and interesting insights, while showing that FedAU converges to an optimal solution of the original objective and has desirable properties such as linear speedup. Our experimental results also verify the advantage of FedAU over baseline methods with various participation patterns.

Applications · Computer Vision

Junyoung Seo, Wooseok Jang, Min-Seop Kwak, Inès Hyeonsu Kim, Jaehoon Ko, Junho Kim, Jin-Hwa Kim, Jiyoung Lee, Seungryong Kim

Text-to-3D generation has shown rapid progress in recent days with the advent of score distillation sampling (SDS), a methodology of using pretrained text-to-2D diffusion models to optimize a neural radiance field (NeRF) in a zero-shot setting. However, the lack of 3D awareness in the 2D diffusion model often destabilizes previous methods from generating a plausible 3D scene. To address this issue, we propose 3DFuse, a novel framework that incorporates 3D awareness into the pretrained 2D diffusion model, enhancing the robustness and 3D consistency of score distillation-based methods. Specifically, we introduce a consistency injection module which constructs a 3D point cloud from the text prompt and utilizes its projected depth map at given view as a condition for the diffusion model. The 2D diffusion model, through its generative capability, robustly infers dense structure from the sparse point cloud depth map and generates a geometrically consistent and coherent 3D scene. We also introduce a new technique called semantic coding that reduces semantic ambiguity of the text prompt for improved results. Our method can be easily adapted to various text-to-3D baselines, and we experimentally demonstrate how our method notably enhances the 3D consistency of generated scenes in comparison to previous baselines, achieving state-of-the-art performance in geometric robustness and fidelity.

Deep Learning · Other Representation Learning

Jianhao Yuan, Jie Zhang, Shuyang Sun, Philip Torr, Bo ZHAO

Synthetic training data has gained prominence in numerous learning tasks and scenarios, offering advantages such as dataset augmentation, generalization evaluation, and privacy preservation. Despite these benefits, the efficiency of synthetic data generated bycurrent methodologies remains inferior when training advanced deep models exclusively, limiting its practical utility. To address this challenge, we analyze the principles underlying training data synthesis for supervised learning and elucidate a principled theoretical framework from the distribution-matching perspective that explicates the mechanisms governing synthesis efficacy. Through extensive experiments, we demonstrate the effectiveness of our synthetic data across diverse image classification tasks, both as a replacement for and augmentation to real datasets, while also benefits such as out-of-distribution generalization, privacy preservation, and scalability. Specifically, we achieve 70.9% top1 classification accuracy on ImageNet1K when training solely with synthetic data equivalentto 1 × the original real data size, which increases to 76.0% when scaling up to 10 × synthetic data.

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

Zhenyi Wang, Yan Li, Li Shen, Heng Huang

Continual Learning (CL) focuses on learning from dynamic and changing data distributions while retaining previously acquired knowledge. Various methods have been developed to address the challenge of catastrophic forgetting, including regularization-based, Bayesian-based, and memory-replay-based techniques. However, these methods lack a unified framework and common terminology for describing their approaches. This research aims to bridge this gap by introducing a comprehensive and overarching framework that encompasses and reconciles these existing methodologies. Notably, this new framework is capable of encompassing established CL approaches as special instances within a unified and general optimization objective.An intriguing finding is that despite their diverse origins, these methods share common mathematical structures. This observation highlights the compatibility of these seemingly distinct techniques, revealing their interconnectedness through a shared underlying optimization objective. Moreover, the proposed general framework introduces an innovative concept called *refresh learning*, specifically designed to enhance the CL performance. This novel approach draws inspiration from neuroscience, where the human brain often sheds outdated information to improve the retention of crucial knowledge and facilitate the acquisition of new information. In essence, *refresh learning* operates by initially unlearning current data and subsequently relearning it. It serves as a versatile plug-in that seamlessly integrates with existing CL methods, offering an adaptable and effective enhancement to the learning process. Extensive experiments on CL benchmarks and theoretical analysis demonstrate the effectiveness of the proposed *refresh learning*.

Deep Learning · Self-Supervised Learning

Tanvir Mahmud, Saeed Amizadeh, Kazuhito Koishida, Diana Marculescu

Conditional sound separation in multi-source audio mixtures without having access to single source sound data during training is a long standing challenge. Existing mix-and-separate based methods suffer from significant performance drop with multi-source training mixtures due to the lack of supervision signal for single source separation cases during training. However, in the case of language-conditional audio separation, we do have access to corresponding text descriptions for each audio mixture in our training data, which can be seen as (rough) representations of the audio samples in the language modality. That raises the curious question of how to generate supervision signal for single-source audio extraction by leveraging the fact that single-source sounding language entities can be easily extracted from the text description. To this end, in this paper, we propose a generic bi-modal separation framework which can enhance the existing unsupervised frameworks to separate single-source signals in a target modality (i.e., audio) using the easily separable corresponding signals in the conditioning modality (i.e., language), without having access to single-source samples in the target modality during training. We empirically show that this is well within reach if we have access to a pretrained joint embedding model between the two modalities (i.e., CLAP). Furthermore, we propose to incorporate our framework into two fundamental scenarios to enhance separation performance. First, we show that our proposed methodology significantly improves the performance of purely unsupervised baselines by reducing the distribution shift between training and test samples. In particular, we show that our framework can achieve 71% boost in terms of Signal-to-Distortion Ratio (SDR) over the baseline, reaching 97.5% of the supervised learning performance. Second, we show that we can further improve the performance of the supervised learning itself by 17% if we augment it by our proposed weakly-supervised framework. Our framework achieves this by making large corpora of unsupervised data available to the supervised learning model as well as utilizing a natural, robust regularization mechanism through weak supervision from the language modality, and hence enabling a powerful semi-supervised framework for audio separation. Code is released at https://github.com/microsoft/BiModalAudioSeparation.