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Miscellaneous Aspects of Machine Learning · Representation Learning

Nimrod Berman, Ilan Naiman, Idan Arbiv, Gal Fadlon, Omri Azencot

One of the fundamental representation learning tasks is unsupervised sequential disentanglement, where latent codes of inputs are decomposed to a single static factor and a sequence of dynamic factors. To extract this latent information, existing methods condition the static and dynamic codes on the entire input sequence. Unfortunately, these models often suffer from information leakage, i.e., the dynamic vectors encode both static and dynamic information, or vice versa, leading to a non-disentangled representation. Attempts to alleviate this problem via reducing the dynamic dimension and auxiliary loss terms gain only partial success. Instead, we propose a novel and simple architecture that mitigates information leakage by offering a simple and effective subtraction inductive bias while conditioning on a single sample. Remarkably, the resulting variational framework is simpler in terms of required loss terms, hyper-parameters, and data augmentation. We evaluate our method on multiple data-modality benchmarks including general time series, video, and audio, and we show beyond state-of-the-art results on generation and prediction tasks in comparison to several strong baselines.

Heting Gao, Kaizhi Qian, Junrui Ni, Chuang Gan, Mark Hasegawa-Johnson, Shiyu Chang, Yang Zhang

While self-supervised learning (SSL) in speech has greatly reduced the reliance of speech processing systems on annotated corpora, the success of SSL still hinges on the availability of a large-scale unannotated corpus, which is still often impractical for many low-resource languages or under privacy concerns. Some existing work seeks to alleviate the problem by data augmentation, but most works are confined to introducing perturbations to real speech and do not introduce new variations in speech prosody, speakers, and speech content, which are important for SSL. Motivated by the recent finding that diffusion models have superior capabilities for modeling data distributions, we propose DiffS4L, a pretraining scheme that augments the limited unannotated data with synthetic data with different levels of variations, generated by a diffusion model trained on the limited unannotated data. Finally, an SSL model is pre-trained on the real and the synthetic speech. Our experiments show that DiffS4L can significantly improve the performance of SSL models, such as reducing the WER of the HuBERT pretrained model by 6.26 percentage points in the English ASR task. Notably, we find that the synthetic speech with all levels of variations, i.e. new prosody, new speakers, and even new content (despite the new content being mostly babble), accounts for significant performance improvement. The code is available at github.com/Hertin/DiffS4L.

Miscellaneous Aspects of Machine Learning · Causality

Zixiao Wang, AmirEmad Ghassami, Ilya Shpitser

We consider the task of identifying and estimating a parameter of interest in settings where data is missing not at random (MNAR). In general, such parameters are not identified without strong assumptions on the missing data model. In this paper, we take an alternative approach and introduce a method inspired by data fusion, where information in the MNAR dataset is augmented by information in an auxiliary dataset subject to missingness at random (MAR). We show that even if the parameter of interest cannot be identified given either dataset alone, it can be identified given pooled data, under two complementary sets of assumptions. We derive inverse probability weighted (IPW) estimators for identified parameters under both sets of assumptions, and evaluate the performance of our estimation strategies via simulation studies, and a data application.

Deep Learning · Large Language Models

Natasha Butt, Blazej Manczak, Auke Wiggers, Corrado Rainone, David Zhang, Michaël Defferrard, Taco Cohen

Large language models are increasingly solving tasks that are commonly believed to require human-level reasoning ability. However, these models still perform very poorly on benchmarks of general intelligence such as the Abstraction and Reasoning Corpus (ARC). In this paper, we approach the ARC as a programming-by-examples problem, and introduce a novel and scalable method for language model self-improvement called Code Iteration (CodeIt). Our method iterates between 1) program sampling and hindsight relabeling, and 2) learning from prioritized experience replay. By relabeling the goal of an episode (i.e., the program output given input) to the output actually produced by the sampled program, our method effectively deals with the extreme sparsity of rewards in program synthesis. Applying CodeIt to the ARC dataset, we demonstrate that prioritized hindsight replay, along with pre-training and data-augmentation, leads to successful inter-task generalization. CodeIt is the first neuro-symbolic approach that scales to the full ARC evaluation dataset. Our method solves 15% of ARC evaluation tasks, achieving state-of-the-art performance and outperforming existing neural and symbolic baselines. Our code is available at https://github.com/Qualcomm-AI-research/codeit.

Theory · Learning Theory

Chi-Heng Lin, Chiraag Kaushik, Eva Dyer, Vidya Muthukumar

Data augmentation (DA) is a powerful workhorse for bolstering performance in modern machine learning. Specific augmentations like translations and scaling in computer vision are traditionally believed to improve generalization by generating new (artificial) data from the same distribution. However, this traditional viewpoint does not explain the success of prevalent augmentations in modern machine learning (e.g. randomized masking, cutout, mixup), that greatly alter the training data distribution. In this work, we develop a new theoretical framework to characterize the impact of a general class of DA on underparameterized and overparameterized linear model generalization. Our framework reveals that DA induces implicit spectral regularization through a combination of two distinct effects: a) manipulating the relative proportion of eigenvalues of the data covariance matrix in a training-data-dependent manner, and b) uniformly boosting the entire spectrum of the data covariance matrix through ridge regression. These effects, when applied to popular augmentations, give rise to a wide variety of phenomena, including discrepancies in generalization between overparameterized and underparameterized regimes and differences between regression and classification tasks. Our framework highlights the nuanced and sometimes surprising impacts of DA on generalization, and serves as a testbed for novel augmentation design.

Deep Learning · Other Representation Learning

Chiraag Kaushik, Ran Liu, Chi-Heng Lin, Amrit Khera, Matthew Jin, Wenrui Ma, Vidya Muthukumar, Eva Dyer

Classification models are expected to perform equally well for different classes, yet in practice, there are often large gaps in their performance. This issue of class bias is widely studied in cases of datasets with sample imbalance, but is relatively overlooked in balanced datasets. In this work, we introduce the concept of spectral imbalance in features as a potential source for class disparities and study the connections between spectral imbalance and class bias in both theory and practice. To build the connection between spectral imbalance and class gap, we develop a theoretical framework for studying class disparities and derive exact expressions for the per-class error in a high-dimensional mixture model setting. We then study this phenomenon in 11 different state-of-the-art pre-trained encoders, and show how our proposed framework can be used to compare the quality of encoders, as well as evaluate and combine data augmentation strategies to mitigate the issue. Our work sheds light on the class-dependent effects of learning, and provides new insights into how state-of-the-art pre-trained features may have unknown biases that can be diagnosed through their spectra.

Miscellaneous Aspects of Machine Learning · Kernel methods

Pierre Glaser, Steffan Paul, Alissa M. Hummer, Charlotte Deane, Debora Marks, Alan Amin

We propose a set of kernel-based tools to evaluate the designs and tune the hyperparameters of conditional sequence models, with a focus on problems in computational biology. The backbone of our tools is a new measure of discrepancy between the true conditional distribution and the model's estimate, called the Augmented Conditional Maximum Mean Discrepancy (ACMMD). Provided that the model can be sampled from, the ACMMD can be estimated unbiasedly from data to quantify absolute model fit, integrated within hypothesis tests, and used to evaluate model reliability. We demonstrate the utility of our approach by analyzing a popular protein design model, ProteinMPNN. We are able to reject the hypothesis that ProteinMPNN fits its data for various protein families, and tune the model's temperature hyperparameter to achieve a better fit.

Applications · Time Series

Hongbin Huang, Minghua Chen, Xiao Qiao

Limited data availability poses a major obstacle in training deep learning models for financial applications. Synthesizing financial time series to augment real-world data is challenging due to the irregular and scale-invariant patterns uniquely associated with financial time series - temporal dynamics that repeat with varying duration and magnitude. Such dynamics cannot be captured by existing approaches, which often assume regularity and uniformity in the underlying data. We develop a novel generative framework called FTS-Diffusion to model irregular and scale-invariant patterns that consists of three modules. First, we develop a scale-invariant pattern recognition algorithm to extract recurring patterns that vary in duration and magnitude. Second, we construct a diffusion-based generative network to synthesize segments of patterns. Third, we model the temporal transition of patterns in order to aggregate the generated segments. Extensive experiments show that FTS-Diffusion generates synthetic financial time series highly resembling observed data, outperforming state-of-the-art alternatives. Two downstream experiments demonstrate that augmenting real-world data with synthetic data generated by FTS-Diffusion reduces the error of stock market prediction by up to 17.9%. To the best of our knowledge, this is the first work on generating intricate time series with irregular and scale-invariant patterns, addressing data limitation issues in finance.

Applications · Computer Vision

Xuelun Shen, zhipeng cai, Wei Yin, Matthias Müller, Zijun Li, Kaixuan Wang, Xiaozhi Chen, Cheng Wang

Image matching is a fundamental computer vision problem. While learning-based methods achieve state-of-the-art performance on existing benchmarks, they generalize poorly to in-the-wild images. Such methods typically need to train separate models for different scene types (e.g., indoor vs. outdoor) and are impractical when the scene type is unknown in advance. One of the underlying problems is the limited scalability of existing data construction pipelines, which limits the diversity of standard image matching datasets. To address this problem, we propose GIM, a self-training framework for learning a single generalizable model based on any image matching architecture using internet videos, an abundant and diverse data source. Given an architecture, GIM first trains it on standard domain-specific datasets and then combines it with complementary matching methods to create dense labels on nearby frames of novel videos. These labels are filtered by robust fitting, and then enhanced by propagating them to distant frames. The final model is trained on propagated data with strong augmentations. Not relying on complex 3D reconstruction makes GIM much more efficient and less likely to fail than standard SfM-and-MVS based frameworks. We also propose ZEB, the first zero-shot evaluation benchmark for image matching. By mixing data from diverse domains, ZEB can thoroughly assess the cross-domain generalization performance of different methods. Experiments demonstrate the effectiveness and generality of GIM. Applying GIM consistently improves the zero-shot performance of 3 state-of-the-art image matching architectures as the number of downloaded videos increases (Fig. 1 (a)); with 50 hours of YouTube videos, the relative zero-shot performance improves by 6.9% − 18.1%. GIM also enables generalization to extreme cross-domain data such as Bird Eye View (BEV) images of projected 3D point clouds (Fig. 1 (c)). More importantly, our single zero-shot model consistently outperforms domain-specific baselines when evaluated on downstream tasks inherent to their respective domains. The code will be released upon acceptance.

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

Haoran Deng, Yang Yang, Jiahe Li, Cheng Chen, Weihao Jiang, Shiliang Pu

Updating truncated Singular Value Decomposition (SVD) has extensive applications in representation learning.The continuous evolution of massive-scaled data matrices in practical scenarios highlights the importance of aligning SVD-based models with fast-paced updates.Recent methods for updating truncated SVD can be recognized as Rayleigh-Ritz projection procedures where their projection matrices are augmented based on the original singular vectors.However, the updating process in these methods densifies the update matrix and applies the projection to all singular vectors, resulting in inefficiency.This paper presents a novel method for dynamically approximating the truncated SVD of a sparse and temporally evolving matrix.The proposed method takes advantage of sparsity in the orthogonalization process of the augment matrices and employs an extended decomposition to store projections in the column space of singular vectors independently.Numerical experimental results on updating truncated SVD for evolving sparse matrices show an order of magnitude improvement in the efficiency of our proposed method while maintaining precision comparing to previous methods.

Deep Learning · Large Language Models

Xian Li, Ping Yu, Chunting Zhou, Timo Schick, Omer Levy, Luke Zettlemoyer, Jason E Weston, Mike Lewis

We present a scalable method to build a high quality instruction following language model by automatically labelling human-written text with corresponding instructions. Our approach, named instruction backtranslation, starts with a language model finetuned on a small amount of seed data, and a given web corpus. The seed model is used to construct training examples by generating instruction prompts for web documents (self-augmentation), and then selecting high quality examples from among these candidates (self-curation). This data is then used to finetune a stronger model. Finetuning LLaMa on two iterations of our approach yields a model that outperforms all other LLaMa-based models on the Alpaca leaderboard not relying on distillation data, demonstrating highly effective self-alignment.

Tianrong Chen, Jiatao Gu, Laurent Dinh, Evangelos Theodorou, Joshua Susskind, Shuangfei Zhai

Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it. In this work, we introduce a novel generative modeling framework grounded in \textbf{phase space dynamics}, where a phase space is defined as {an augmented space encompassing both position and velocity.} Leveraging insights from Stochastic Optimal Control, we construct a path measure in the phase space that enables efficient sampling. {In contrast to DMs, our framework demonstrates the capability to generate realistic data points at an early stage of dynamics propagation.} This early prediction sets the stage for efficient data generation by leveraging additional velocity information along the trajectory. On standard image generation benchmarks, our model yields favorable performance over baselines in the regime of small Number of Function Evaluations (NFEs). Furthermore, our approach rivals the performance of diffusion models equipped with efficient sampling techniques, underscoring its potential as a new tool generative modeling.

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 · Everything Else

Yury Gorishniy, Ivan Rubachev, Nikolay Kartashev, Daniil Shlenskii, Akim Kotelnikov, Artem Babenko

Deep learning (DL) models for tabular data problems (e.g. classification, regression) are currently receiving increasingly more attention from researchers.However, despite the recent efforts, the non-DL algorithms based on gradient-boosted decision trees (GBDT) remain a strong go-to solution for these problems.One of the research directions aimed at improving the position of tabular DL involves designing so-called retrieval-augmented models.For a target object, such models retrieve other objects (e.g. the nearest neighbors) from the available training data and use their features and labels to make a better prediction.In this work, we present TabR -- essentially, a feed-forward network with a custom k-Nearest-Neighbors-like component in the middle.On a set of public benchmarks with datasets up to several million objects, TabR marks a big step forward for tabular DL: it demonstrates the best average performance among tabular DL models, becomes the new state-of-the-art on several datasets, and even outperforms GBDT models on the recently proposed "GBDT-friendly" benchmark (see Figure 1).Among the important findings and technical details powering TabR, the main ones lie in the attention-like mechanism that is responsible for retrieving the nearest neighbors and extracting valuable signal from them.In addition to the higher performance, TabR is simple and significantly more efficient compared to prior retrieval-based tabular DL models.

Kimia Hamidieh, Haoran Zhang, Swami Sankaranarayanan, Marzyeh Ghassemi

Supervised learning methods have been found to exhibit inductive biases favoring simpler features. When such features are spuriously correlated with the label, this can result in suboptimal performance on minority subgroups. Despite the growing popularity of methods which learn from unlabeled data, the extent to which these representations rely on spurious features for prediction is unclear. In this work, we explore the impact of spurious features on Self-Supervised Learning (SSL) for visual representation learning. We first empirically show that commonly used augmentations in SSL can cause undesired invariances in the image space, and illustrate this with a simple example. We further show that classical approaches in combating spurious correlations, such as dataset re-sampling during SSL, do not consistently lead to invariant representations. Motivated by these findings, we propose LateTVG to remove spurious information from these representations during pre-training, by regularizing later layers of the encoder via pruning. We find that our method produces representations which outperform the baselines on several benchmarks, without the need for group or label information during SSL.

Deep Learning · Sequential Models, Time series

Maxwell Xu, Alexander Moreno, Hui Wei, Benjamin M Marlin, James Rehg

The success of self-supervised contrastive learning hinges on identifying positive data pairs, such that when they are pushed together in embedding space, the space encodes useful information for subsequent downstream tasks. Constructing positive pairs is non-trivial as the pairing must be similar enough to reflect a shared semantic meaning, but different enough to capture within-class variation. Classical approaches in vision use augmentations to exploit well-established invariances to construct positive pairs, but invariances in the time-series domain are much less obvious. In our work, we propose a novel method of using a learned measure for identifying positive pairs. Our Retrieval-Based Reconstruction (REBAR) measure measures the similarity between two sequences as the reconstruction error that results from reconstructing one sequence with retrieved information from the other. Then, if the two sequences have high REBAR similarity, we label them as a positive pair. Through validation experiments, we show that the REBAR error is a predictor of mutual class membership. Once integrated into a contrastive learning framework, our REBAR method learns an embedding that achieves state-of-the-art performance on downstream tasks across various modalities.

Reinforcement Learning · Inverse

Sheng Xu, Guiliang Liu

Aiming for safe control, Inverse Constrained Reinforcement Learning (ICRL) considers inferring the constraints respected by expert agents from their demonstrations and learning imitation policies that adhere to these constraints. While previous ICRL works often neglected underlying uncertainties during training, we contend that modeling these uncertainties is crucial for facilitating robust constraint inference. This insight leads to the development of an Uncertainty-aware Inverse Constrained Reinforcement Learning (UAICRL) algorithm. Specifically, 1) aleatoric uncertainty arises from the inherent stochasticity of environment dynamics, leading to constraint-violating behaviors in imitation policies. To address this, UAICRL constructs risk-sensitive constraints by incorporating distributional Bellman updates into the cumulative costs model. 2) Epistemic uncertainty, resulting from the model's limited knowledge of Out-of-Distribution (OoD) samples, affects the accuracy of step-wise cost predictions. To tackle this issue, UAICRL develops an information-theoretic quantification of the epistemic uncertainty and mitigates its impact through flow-based generative data augmentation. Empirical results demonstrate that UAICRL consistently outperforms other baselines in continuous and discrete environments with stochastic dynamics. The code is available at https://github.com/Jasonxu1225/UAICRL.

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

Karsten Roth, Lukas Thede, A. Sophia Koepke, Oriol Vinyals, Olivier Henaff, Zeynep Akata

Training deep networks requires various design decisions regarding for instance their architecture, data augmentation, or optimization. In this work, we find these training variations to result in networks learning unique feature sets from the data. Using public model libraries comprising thousands of models trained on canonical datasets like ImageNet, we observe that for arbitrary pairings of pretrained models, one model extracts significant data context unavailable in the other – independent of overall performance. Given any arbitrary pairing of pretrained models and no external rankings (such as separate test sets, e.g. due to data privacy), we investigate if it is possible to transfer such "complementary" knowledge from one model to another without performance degradation – a task made particularly difficult as additional knowledge can be contained in stronger, equiperformant or weaker models. Yet facilitating robust transfer in scenarios agnostic to pretrained model pairings would unlock auxiliary gains and knowledge fusion from any model repository without restrictions on model and problem specifics - including from weaker, lower-performance models. This work therefore provides an initial, in-depth exploration on the viability of such general-purpose knowledge transfer. Across large-scale experiments, we first reveal the shortcomings of standard knowledge distillation techniques, and then propose a much more general extension through data partitioning for successful transfer between nearly all pretrained models, which we show can also be done unsupervised. Finally, we assess both the scalability and impact of fundamental model properties on successful model-agnostic knowledge transfer.

Liyiming Ke, Yunchu Zhang, Abhay Deshpande, Siddhartha Srinivasa, Abhishek Gupta

We present a new technique to enhance the robustness of imitation learning methods by generating corrective data to account for compounding error and disturbances. While existing methods rely on interactive expert labeling, additional offline datasets, or domain-specific invariances, our approach requires minimal additional assumptions beyond expert data. The key insight is to leverage local continuity in the environment dynamics. Our method first constructs a dynamics model from the expert demonstration, enforcing local Lipschitz continuity while skipping the discontinuous regions. In the locally continuous regions, this model allows us to generate corrective labels within the neighborhood of the demonstrations but beyond the actual set of states and actions in the dataset. Training on this augmented data enhances the agent's ability to recover from perturbations and deal with compounding error. We demonstrate the effectiveness of our generated labels through experiments in a variety of robotics domains that have distinct forms of continuity and discontinuity, including classic control, drone flying, high-dimensional navigation, locomotion, and tabletop manipulation.

Optimization · Learning for Optimization

Changwen Zhang, wenli ouyang, Hao Yuan, Liming Gong, Yong Sun, Ziao Guo, Zhichen Dong, Junchi Yan

Branch-and-bound (B\&B) has long been favored for tackling complex Mixed Integer Programming (MIP) problems, where the choice of branching strategy plays a pivotal role. Recently, Imitation Learning (IL)-based policies have emerged as potent alternatives to traditional rule-based approaches. However, it is nontrivial to acquire high-quality training samples, and IL often converges to suboptimal variable choices for branching, restricting the overall performance. In response to these challenges, we propose a novel hybrid online and offline reinforcement learning (RL) approach to enhance the branching policy by cost-effective training sample augmentation. In the online phase, we train an online RL agent to dynamically decide the sample generation processes, drawing from either the learning-based policy or the expert policy. The objective is to strike a balance between exploration and exploitation of the sample generation process. In the offline phase, a value function is trained to fit each decision's cumulative reward and filter the samples with high cumulative returns. This dual-purpose function not only reduces training complexity but also enhances the quality of the samples. To assess the efficacy of our data augmentation mechanism, we conduct comprehensive evaluations across a range of MIP problems. The results consistently show that it excels in making superior branching decisions compared to state-of-the-art learning-based models and the open-source solver SCIP. Notably, it even often outperforms Gurobi.