LGJul 18, 2024
FSP-Laplace: Function-Space Priors for the Laplace Approximation in Bayesian Deep LearningTristan Cinquin, Marvin Pförtner, Vincent Fortuin et al.
Laplace approximations are popular techniques for endowing deep networks with epistemic uncertainty estimates as they can be applied without altering the predictions of the trained network, and they scale to large models and datasets. While the choice of prior strongly affects the resulting posterior distribution, computational tractability and lack of interpretability of the weight space typically limit the Laplace approximation to isotropic Gaussian priors, which are known to cause pathological behavior as depth increases. As a remedy, we directly place a prior on function space. More precisely, since Lebesgue densities do not exist on infinite-dimensional function spaces, we recast training as finding the so-called weak mode of the posterior measure under a Gaussian process (GP) prior restricted to the space of functions representable by the neural network. Through the GP prior, one can express structured and interpretable inductive biases, such as regularity or periodicity, directly in function space, while still exploiting the implicit inductive biases that allow deep networks to generalize. After model linearization, the training objective induces a negative log-posterior density to which we apply a Laplace approximation, leveraging highly scalable methods from matrix-free linear algebra. Our method provides improved results where prior knowledge is abundant (as is the case in many scientific inference tasks). At the same time, it stays competitive for black-box supervised learning problems, where neural networks typically excel.
MLFeb 9, 2023
Trading Information between Latents in Hierarchical Variational AutoencodersTim Z. Xiao, Robert Bamler
Variational Autoencoders (VAEs) were originally motivated (Kingma & Welling, 2014) as probabilistic generative models in which one performs approximate Bayesian inference. The proposal of $β$-VAEs (Higgins et al., 2017) breaks this interpretation and generalizes VAEs to application domains beyond generative modeling (e.g., representation learning, clustering, or lossy data compression) by introducing an objective function that allows practitioners to trade off between the information content ("bit rate") of the latent representation and the distortion of reconstructed data (Alemi et al., 2018). In this paper, we reconsider this rate/distortion trade-off in the context of hierarchical VAEs, i.e., VAEs with more than one layer of latent variables. We identify a general class of inference models for which one can split the rate into contributions from each layer, which can then be tuned independently. We derive theoretical bounds on the performance of downstream tasks as functions of the individual layers' rates and verify our theoretical findings in large-scale experiments. Our results provide guidance for practitioners on which region in rate-space to target for a given application.
CVOct 30, 2023
The SVHN Dataset Is Deceptive for Probabilistic Generative Models Due to a Distribution MismatchTim Z. Xiao, Johannes Zenn, Robert Bamler
The Street View House Numbers (SVHN) dataset is a popular benchmark dataset in deep learning. Originally designed for digit classification tasks, the SVHN dataset has been widely used as a benchmark for various other tasks including generative modeling. However, with this work, we aim to warn the community about an issue of the SVHN dataset as a benchmark for generative modeling tasks: we discover that the official split into training set and test set of the SVHN dataset are not drawn from the same distribution. We empirically show that this distribution mismatch has little impact on the classification task (which may explain why this issue has not been detected before), but it severely affects the evaluation of probabilistic generative models, such as Variational Autoencoders and diffusion models. As a workaround, we propose to mix and re-split the official training and test set when SVHN is used for tasks other than classification. We publish a new split and the indices we used to create it at https://jzenn.github.io/svhn-remix/ .
MLApr 27, 2023
Resampling Gradients Vanish in Differentiable Sequential Monte Carlo SamplersJohannes Zenn, Robert Bamler
Annealed Importance Sampling (AIS) moves particles along a Markov chain from a tractable initial distribution to an intractable target distribution. The recently proposed Differentiable AIS (DAIS) (Geffner and Domke, 2021; Zhang et al., 2021) enables efficient optimization of the transition kernels of AIS and of the distributions. However, we observe a low effective sample size in DAIS, indicating degenerate distributions. We thus propose to extend DAIS by a resampling step inspired by Sequential Monte Carlo. Surprisingly, we find empirically-and can explain theoretically-that it is not necessary to differentiate through the resampling step which avoids gradient variance issues observed in similar approaches for Particle Filters (Maddison et al., 2017; Naesseth et al., 2018; Le et al., 2018).
MLOct 30, 2023
A Note on Generalization in Variational Autoencoders: How Effective Is Synthetic Data & Overparameterization?Tim Z. Xiao, Johannes Zenn, Robert Bamler
Variational autoencoders (VAEs) are deep probabilistic models that are used in scientific applications. Many works try to mitigate this problem from the probabilistic methods perspective by new inference techniques or training procedures. In this paper, we approach the problem instead from the deep learning perspective by investigating the effectiveness of using synthetic data and overparameterization for improving the generalization performance. Our motivation comes from (1) the recent discussion on whether the increasing amount of publicly accessible synthetic data will improve or hurt currently trained generative models; and (2) the modern deep learning insights that overparameterization improves generalization. Our investigation shows how both training on samples from a pre-trained diffusion model, and using more parameters at certain layers are able to effectively mitigate overfitting in VAEs, therefore improving their generalization, amortized inference, and robustness performance. Our study provides timely insights in the current era of synthetic data and scaling laws.
CLApr 7, 2024Code
Your Finetuned Large Language Model is Already a Powerful Out-of-distribution DetectorAndi Zhang, Tim Z. Xiao, Weiyang Liu et al.
We revisit the likelihood ratio between a pretrained large language model (LLM) and its finetuned variant as a criterion for out-of-distribution (OOD) detection. The intuition behind such a criterion is that, the pretrained LLM has the prior knowledge about OOD data due to its large amount of training data, and once finetuned with the in-distribution data, the LLM has sufficient knowledge to distinguish their difference. Leveraging the power of LLMs, we show that, the likelihood ratio can serve as an effective OOD detection criterion. Moreover, we apply the proposed LLM-based likelihood ratio to detect OOD questions in question-answering (QA) systems, which can be used to improve the performance of specialized LLMs for general questions. Given that likelihood can be easily obtained by the loss functions within contemporary neural network frameworks, it is straightforward to implement this approach in practice. Since both the pretrained LLMs and its various finetuned models are widely available from online platforms such as Hugging Face, our proposed criterion can be effortlessly incorporated for OOD detection without the need for further training. We conduct comprehensive evaluation across on multiple settings, including far OOD, near OOD, spam detection, and QA scenarios, to demonstrate the effectiveness of the method. Code can be found at https://github.com/andiac/LLMOODratio
LGMay 24, 2025Code
Reducing Storage of Pretrained Neural Networks by Rate-Constrained Quantization and Entropy CodingAlexander Conzelmann, Robert Bamler
The ever-growing size of neural networks poses serious challenges on resource-constrained devices, such as embedded sensors. Compression algorithms that reduce their size can mitigate these problems, provided that model performance stays close to the original. We propose a novel post-training compression framework that combines rate-aware quantization with entropy coding by (1) extending the well-known layer-wise loss by a quadratic rate estimation, and (2) providing locally exact solutions to this modified objective following the Optimal Brain Surgeon (OBS) method. Our method allows for very fast decoding and is compatible with arbitrary quantization grids. We verify our results empirically by testing on various computer-vision networks, achieving a 20-40\% decrease in bit rate at the same performance as the popular compression algorithm NNCodec. Our code is available at https://github.com/Conzel/cerwu.
MLJan 5, 2022Code
Understanding Entropy Coding With Asymmetric Numeral Systems (ANS): a Statistician's PerspectiveRobert Bamler
Entropy coding is the backbone data compression. Novel machine-learning based compression methods often use a new entropy coder called Asymmetric Numeral Systems (ANS) [Duda et al., 2015], which provides very close to optimal bitrates and simplifies [Townsend et al., 2019] advanced compression techniques such as bits-back coding. However, researchers with a background in machine learning often struggle to understand how ANS works, which prevents them from exploiting its full versatility. This paper is meant as an educational resource to make ANS more approachable by presenting it from a new perspective of latent variable models and the so-called bits-back trick. We guide the reader step by step to a complete implementation of ANS in the Python programming language, which we then generalize for more advanced use cases. We also present and empirically evaluate an open-source library of various entropy coders designed for both research and production use. Related teaching videos and problem sets are available online.
LGFeb 28, 2024
On the Challenges and Opportunities in Generative AILaura Manduchi, Clara Meister, Kushagra Pandey et al.
The field of deep generative modeling has grown rapidly in the last few years. With the availability of massive amounts of training data coupled with advances in scalable unsupervised learning paradigms, recent large-scale generative models show tremendous promise in synthesizing high-resolution images and text, as well as structured data such as videos and molecules. However, we argue that current large-scale generative AI models exhibit several fundamental shortcomings that hinder their widespread adoption across domains. In this work, our objective is to identify these issues and highlight key unresolved challenges in modern generative AI paradigms that should be addressed to further enhance their capabilities, versatility, and reliability. By identifying these challenges, we aim to provide researchers with insights for exploring fruitful research directions, thus fostering the development of more robust and accessible generative AI solutions.
MLDec 31, 2023
A Compact Representation for Bayesian Neural Networks By Removing Permutation SymmetryTim Z. Xiao, Weiyang Liu, Robert Bamler
Bayesian neural networks (BNNs) are a principled approach to modeling predictive uncertainties in deep learning, which are important in safety-critical applications. Since exact Bayesian inference over the weights in a BNN is intractable, various approximate inference methods exist, among which sampling methods such as Hamiltonian Monte Carlo (HMC) are often considered the gold standard. While HMC provides high-quality samples, it lacks interpretable summary statistics because its sample mean and variance is meaningless in neural networks due to permutation symmetry. In this paper, we first show that the role of permutations can be meaningfully quantified by a number of transpositions metric. We then show that the recently proposed rebasin method allows us to summarize HMC samples into a compact representation that provides a meaningful explicit uncertainty estimate for each weight in a neural network, thus unifying sampling methods with variational inference. We show that this compact representation allows us to compare trained BNNs directly in weight space across sampling methods and variational inference, and to efficiently prune neural networks trained without explicit Bayesian frameworks by exploiting uncertainty estimates from HMC.
MLMay 23, 2024
Differentiable Annealed Importance Sampling Minimizes The Symmetrized Kullback-Leibler Divergence Between Initial and Target DistributionJohannes Zenn, Robert Bamler
Differentiable annealed importance sampling (DAIS), proposed by Geffner & Domke (2021) and Zhang et al. (2021), allows optimizing over the initial distribution of AIS. In this paper, we show that, in the limit of many transitions, DAIS minimizes the symmetrized Kullback-Leibler divergence between the initial and target distribution. Thus, DAIS can be seen as a form of variational inference (VI) as its initial distribution is a parametric fit to an intractable target distribution. We empirically evaluate the usefulness of the initial distribution as a variational distribution on synthetic and real-world data, observing that it often provides more accurate uncertainty estimates than VI (optimizing the reverse KL divergence), importance weighted VI, and Markovian score climbing (optimizing the forward KL divergence).
LGJun 11, 2025
Flipping Against All Odds: Reducing LLM Coin Flip Bias via Verbalized Rejection SamplingTim Z. Xiao, Johannes Zenn, Zhen Liu et al.
Large language models (LLMs) can often accurately describe probability distributions using natural language, yet they still struggle to generate faithful samples from them. This mismatch limits their use in tasks requiring reliable stochasticity, such as Monte Carlo methods, agent-based simulations, and randomized decision-making. We investigate this gap between knowledge and sampling in the context of Bernoulli distributions. We introduce Verbalized Rejection Sampling (VRS), a natural-language adaptation of classical rejection sampling that prompts the LLM to reason about and accept or reject proposed samples. Despite relying on the same Bernoulli mechanism internally, VRS substantially reduces sampling bias across models. We provide theoretical analysis showing that, under mild assumptions, VRS improves over direct sampling, with gains attributable to both the algorithm and prompt design. More broadly, our results show how classical probabilistic tools can be verbalized and embedded into LLM workflows to improve reliability, without requiring access to model internals or heavy prompt engineering.
LGJun 12, 2024
Balancing Molecular Information and Empirical Data in the Prediction of Physico-Chemical PropertiesJohannes Zenn, Dominik Gond, Fabian Jirasek et al.
Predicting the physico-chemical properties of pure substances and mixtures is a central task in thermodynamics. Established prediction methods range from fully physics-based ab-initio calculations, which are only feasible for very simple systems, over descriptor-based methods that use some information on the molecules to be modeled together with fitted model parameters (e.g., quantitative-structure-property relationship methods or classical group contribution methods), to representation-learning methods, which may, in extreme cases, completely ignore molecular descriptors and extrapolate only from existing data on the property to be modeled (e.g., matrix completion methods). In this work, we propose a general method for combining molecular descriptors with representation learning using the so-called expectation maximization algorithm from the probabilistic machine learning literature, which uses uncertainty estimates to trade off between the two approaches. The proposed hybrid model exploits chemical structure information using graph neural networks, but it automatically detects cases where structure-based predictions are unreliable, in which case it corrects them by representation-learning based predictions that can better specialize to unusual cases. The effectiveness of the proposed method is demonstrated using the prediction of activity coefficients in binary mixtures as an example. The results are compelling, as the method significantly improves predictive accuracy over the current state of the art, showcasing its potential to advance the prediction of physico-chemical properties in general.
LGJun 6, 2024
Verbalized Machine Learning: Revisiting Machine Learning with Language ModelsTim Z. Xiao, Robert Bamler, Bernhard Schölkopf et al.
Motivated by the progress made by large language models (LLMs), we introduce the framework of verbalized machine learning (VML). In contrast to conventional machine learning (ML) models that are typically optimized over a continuous parameter space, VML constrains the parameter space to be human-interpretable natural language. Such a constraint leads to a new perspective of function approximation, where an LLM with a text prompt can be viewed as a function parameterized by the text prompt. Guided by this perspective, we revisit classical ML problems, such as regression and classification, and find that these problems can be solved by an LLM-parameterized learner and optimizer. The major advantages of VML include (1) easy encoding of inductive bias: prior knowledge about the problem and hypothesis class can be encoded in natural language and fed into the LLM-parameterized learner; (2) automatic model class selection: the optimizer can automatically select a model class based on data and verbalized prior knowledge, and it can update the model class during training; and (3) interpretable learner updates: the LLM-parameterized optimizer can provide explanations for why an update is performed. We empirically verify the effectiveness of VML, and hope that VML can serve as a stepping stone to stronger interpretability.
LGJun 6, 2024
Regularized KL-Divergence for Well-Defined Function-Space Variational Inference in Bayesian neural networksTristan Cinquin, Robert Bamler
Bayesian neural networks (BNN) promise to combine the predictive performance of neural networks with principled uncertainty modeling important for safety-critical systems and decision making. However, posterior uncertainty estimates depend on the choice of prior, and finding informative priors in weight-space has proven difficult. This has motivated variational inference (VI) methods that pose priors directly on the function generated by the BNN rather than on weights. In this paper, we address a fundamental issue with such function-space VI approaches pointed out by Burt et al. (2020), who showed that the objective function (ELBO) is negative infinite for most priors of interest. Our solution builds on generalized VI (Knoblauch et al., 2019) with the regularized KL divergence (Quang, 2019) and is, to the best of our knowledge, the first well-defined variational objective for function-space inference in BNNs with Gaussian process (GP) priors. Experiments show that our method incorporates the properties specified by the GP prior on synthetic and small real-world data sets, and provides competitive uncertainty estimates for regression, classification and out-of-distribution detection compared to BNN baselines with both function and weight-space priors.
LGMar 19, 2024
Predictive, scalable and interpretable knowledge tracing on structured domainsHanqi Zhou, Robert Bamler, Charley M. Wu et al.
Intelligent tutoring systems optimize the selection and timing of learning materials to enhance understanding and long-term retention. This requires estimates of both the learner's progress (''knowledge tracing''; KT), and the prerequisite structure of the learning domain (''knowledge mapping''). While recent deep learning models achieve high KT accuracy, they do so at the expense of the interpretability of psychologically-inspired models. In this work, we present a solution to this trade-off. PSI-KT is a hierarchical generative approach that explicitly models how both individual cognitive traits and the prerequisite structure of knowledge influence learning dynamics, thus achieving interpretability by design. Moreover, by using scalable Bayesian inference, PSI-KT targets the real-world need for efficient personalization even with a growing body of learners and learning histories. Evaluated on three datasets from online learning platforms, PSI-KT achieves superior multi-step predictive accuracy and scalable inference in continual-learning settings, all while providing interpretable representations of learner-specific traits and the prerequisite structure of knowledge that causally supports learning. In sum, predictive, scalable and interpretable knowledge tracing with solid knowledge mapping lays a key foundation for effective personalized learning to make education accessible to a broad, global audience.
CHEM-PHFeb 17, 2022
Hybridizing Physical and Data-driven Prediction Methods for Physicochemical PropertiesFabian Jirasek, Robert Bamler, Stephan Mandt
We present a generic way to hybridize physical and data-driven methods for predicting physicochemical properties. The approach `distills' the physical method's predictions into a prior model and combines it with sparse experimental data using Bayesian inference. We apply the new approach to predict activity coefficients at infinite dilution and obtain significant improvements compared to the data-driven and physical baselines and established ensemble methods from the machine learning literature.
MLNov 6, 2020
User-Dependent Neural Sequence Models for Continuous-Time Event DataAlex Boyd, Robert Bamler, Stephan Mandt et al.
Continuous-time event data are common in applications such as individual behavior data, financial transactions, and medical health records. Modeling such data can be very challenging, in particular for applications with many different types of events, since it requires a model to predict the event types as well as the time of occurrence. Recurrent neural networks that parameterize time-varying intensity functions are the current state-of-the-art for predictive modeling with such data. These models typically assume that all event sequences come from the same data distribution. However, in many applications event sequences are generated by different sources, or users, and their characteristics can be very different. In this paper, we extend the broad class of neural marked point process models to mixtures of latent embeddings, where each mixture component models the characteristic traits of a given user. Our approach relies on augmenting these models with a latent variable that encodes user characteristics, represented by a mixture model over user behavior that is trained via amortized variational inference. We evaluate our methods on four large real-world datasets and demonstrate systematic improvements from our approach over existing work for a variety of predictive metrics such as log-likelihood, next event ranking, and source-of-sequence identification.
IVJun 7, 2020
Improving Inference for Neural Image CompressionYibo Yang, Robert Bamler, Stephan Mandt
We consider the problem of lossy image compression with deep latent variable models. State-of-the-art methods build on hierarchical variational autoencoders (VAEs) and learn inference networks to predict a compressible latent representation of each data point. Drawing on the variational inference perspective on compression, we identify three approximation gaps which limit performance in the conventional approach: an amortization gap, a discretization gap, and a marginalization gap. We propose remedies for each of these three limitations based on ideas related to iterative inference, stochastic annealing for discrete optimization, and bits-back coding, resulting in the first application of bits-back coding to lossy compression. In our experiments, which include extensive baseline comparisons and ablation studies, we achieve new state-of-the-art performance on lossy image compression using an established VAE architecture, by changing only the inference method.
IVFeb 18, 2020
Variational Bayesian QuantizationYibo Yang, Robert Bamler, Stephan Mandt
We propose a novel algorithm for quantizing continuous latent representations in trained models. Our approach applies to deep probabilistic models, such as variational autoencoders (VAEs), and enables both data and model compression. Unlike current end-to-end neural compression methods that cater the model to a fixed quantization scheme, our algorithm separates model design and training from quantization. Consequently, our algorithm enables "plug-and-play" compression with variable rate-distortion trade-off, using a single trained model. Our algorithm can be seen as a novel extension of arithmetic coding to the continuous domain, and uses adaptive quantization accuracy based on estimates of posterior uncertainty. Our experimental results demonstrate the importance of taking into account posterior uncertainties, and show that image compression with the proposed algorithm outperforms JPEG over a wide range of bit rates using only a single standard VAE. Further experiments on Bayesian neural word embeddings demonstrate the versatility of the proposed method.
MLFeb 15, 2020
Extreme Classification via Adversarial Softmax ApproximationRobert Bamler, Stephan Mandt
Training a classifier over a large number of classes, known as 'extreme classification', has become a topic of major interest with applications in technology, science, and e-commerce. Traditional softmax regression induces a gradient cost proportional to the number of classes $C$, which often is prohibitively expensive. A popular scalable softmax approximation relies on uniform negative sampling, which suffers from slow convergence due a poor signal-to-noise ratio. In this paper, we propose a simple training method for drastically enhancing the gradient signal by drawing negative samples from an adversarial model that mimics the data distribution. Our contributions are three-fold: (i) an adversarial sampling mechanism that produces negative samples at a cost only logarithmic in $C$, thus still resulting in cheap gradient updates; (ii) a mathematical proof that this adversarial sampling minimizes the gradient variance while any bias due to non-uniform sampling can be removed; (iii) experimental results on large scale data sets that show a reduction of the training time by an order of magnitude relative to several competitive baselines.
CHEM-PHJan 29, 2020
Machine Learning in Thermodynamics: Prediction of Activity Coefficients by Matrix CompletionFabian Jirasek, Rodrigo A. S. Alves, Julie Damay et al.
Activity coefficients, which are a measure of the non-ideality of liquid mixtures, are a key property in chemical engineering with relevance to modeling chemical and phase equilibria as well as transport processes. Although experimental data on thousands of binary mixtures are available, prediction methods are needed to calculate the activity coefficients in many relevant mixtures that have not been explored to-date. In this report, we propose a probabilistic matrix factorization model for predicting the activity coefficients in arbitrary binary mixtures. Although no physical descriptors for the considered components were used, our method outperforms the state-of-the-art method that has been refined over three decades while requiring much less training effort. This opens perspectives to novel methods for predicting physico-chemical properties of binary mixtures with the potential to revolutionize modeling and simulation in chemical engineering.
MLSep 30, 2019
Tightening Bounds for Variational Inference by Revisiting Perturbation TheoryRobert Bamler, Cheng Zhang, Manfred Opper et al.
Variational inference has become one of the most widely used methods in latent variable modeling. In its basic form, variational inference employs a fully factorized variational distribution and minimizes its KL divergence to the posterior. As the minimization can only be carried out approximately, this approximation induces a bias. In this paper, we revisit perturbation theory as a powerful way of improving the variational approximation. Perturbation theory relies on a form of Taylor expansion of the log marginal likelihood, vaguely in terms of the log ratio of the true posterior and its variational approximation. While first order terms give the classical variational bound, higher-order terms yield corrections that tighten it. However, traditional perturbation theory does not provide a lower bound, making it inapt for stochastic optimization. In this paper, we present a similar yet alternative way of deriving corrections to the ELBO that resemble perturbation theory, but that result in a valid bound. We show in experiments on Gaussian Processes and Variational Autoencoders that the new bounds are more mass covering, and that the resulting posterior covariances are closer to the true posterior and lead to higher likelihoods on held-out data.
MLJul 4, 2019
A Quantum Field Theory of Representation LearningRobert Bamler, Stephan Mandt
Continuous symmetries and their breaking play a prominent role in contemporary physics. Effective low-energy field theories around symmetry breaking states explain diverse phenomena such as superconductivity, magnetism, and the mass of nucleons. We show that such field theories can also be a useful tool in machine learning, in particular for loss functions with continuous symmetries that are spontaneously broken by random initializations. In this paper, we illuminate our earlier published work (Bamler & Mandt, 2018) on this topic more from the perspective of theoretical physics. We show that the analogies between superconductivity and symmetry breaking in temporal representation learning are rather deep, allowing us to formulate a gauge theory of `charged' embedding vectors in time series models. We show that making the loss function gauge invariant speeds up convergence in such models.
MLJul 1, 2019
Augmenting and Tuning Knowledge Graph EmbeddingsRobert Bamler, Farnood Salehi, Stephan Mandt
Knowledge graph embeddings rank among the most successful methods for link prediction in knowledge graphs, i.e., the task of completing an incomplete collection of relational facts. A downside of these models is their strong sensitivity to model hyperparameters, in particular regularizers, which have to be extensively tuned to reach good performance [Kadlec et al., 2017]. We propose an efficient method for large scale hyperparameter tuning by interpreting these models in a probabilistic framework. After a model augmentation that introduces per-entity hyperparameters, we use a variational expectation-maximization approach to tune thousands of such hyperparameters with minimal additional cost. Our approach is agnostic to details of the model and results in a new state of the art in link prediction on standard benchmark data.
MLMar 8, 2018
Improving Optimization for Models With Continuous Symmetry BreakingRobert Bamler, Stephan Mandt
Many loss functions in representation learning are invariant under a continuous symmetry transformation. For example, the loss function of word embeddings (Mikolov et al., 2013) remains unchanged if we simultaneously rotate all word and context embedding vectors. We show that representation learning models for time series possess an approximate continuous symmetry that leads to slow convergence of gradient descent. We propose a new optimization algorithm that speeds up convergence using ideas from gauge theory in physics. Our algorithm leads to orders of magnitude faster convergence and to more interpretable representations, as we show for dynamic extensions of matrix factorization and word embedding models. We further present an example application of our proposed algorithm that translates modern words into their historic equivalents.
CLNov 10, 2017
Bayesian Paragraph VectorsGeng Ji, Robert Bamler, Erik B. Sudderth et al.
Word2vec (Mikolov et al., 2013) has proven to be successful in natural language processing by capturing the semantic relationships between different words. Built on top of single-word embeddings, paragraph vectors (Le and Mikolov, 2014) find fixed-length representations for pieces of text with arbitrary lengths, such as documents, paragraphs, and sentences. In this work, we propose a novel interpretation for neural-network-based paragraph vectors by developing an unsupervised generative model whose maximum likelihood solution corresponds to traditional paragraph vectors. This probabilistic formulation allows us to go beyond point estimates of parameters and to perform Bayesian posterior inference. We find that the entropy of paragraph vectors decreases with the length of documents, and that information about posterior uncertainty improves performance in supervised learning tasks such as sentiment analysis and paraphrase detection.
MLSep 21, 2017
Perturbative Black Box Variational InferenceRobert Bamler, Cheng Zhang, Manfred Opper et al.
Black box variational inference (BBVI) with reparameterization gradients triggered the exploration of divergence measures other than the Kullback-Leibler (KL) divergence, such as alpha divergences. In this paper, we view BBVI with generalized divergences as a form of estimating the marginal likelihood via biased importance sampling. The choice of divergence determines a bias-variance trade-off between the tightness of a bound on the marginal likelihood (low bias) and the variance of its gradient estimators. Drawing on variational perturbation theory of statistical physics, we use these insights to construct a family of new variational bounds. Enumerated by an odd integer order $K$, this family captures the standard KL bound for $K=1$, and converges to the exact marginal likelihood as $K\to\infty$. Compared to alpha-divergences, our reparameterization gradients have a lower variance. We show in experiments on Gaussian Processes and Variational Autoencoders that the new bounds are more mass covering, and that the resulting posterior covariances are closer to the true posterior and lead to higher likelihoods on held-out data.
MLJul 4, 2017
Structured Black Box Variational Inference for Latent Time Series ModelsRobert Bamler, Stephan Mandt
Continuous latent time series models are prevalent in Bayesian modeling; examples include the Kalman filter, dynamic collaborative filtering, or dynamic topic models. These models often benefit from structured, non mean field variational approximations that capture correlations between time steps. Black box variational inference with reparameterization gradients (BBVI) allows us to explore a rich new class of Bayesian non-conjugate latent time series models; however, a naive application of BBVI to such structured variational models would scale quadratically in the number of time steps. We describe a BBVI algorithm analogous to the forward-backward algorithm which instead scales linearly in time. It allows us to efficiently sample from the variational distribution and estimate the gradients of the ELBO. Finally, we show results on the recently proposed dynamic word embedding model, which was trained using our method.
MLFeb 27, 2017
Dynamic Word EmbeddingsRobert Bamler, Stephan Mandt
We present a probabilistic language model for time-stamped text data which tracks the semantic evolution of individual words over time. The model represents words and contexts by latent trajectories in an embedding space. At each moment in time, the embedding vectors are inferred from a probabilistic version of word2vec [Mikolov et al., 2013]. These embedding vectors are connected in time through a latent diffusion process. We describe two scalable variational inference algorithms--skip-gram smoothing and skip-gram filtering--that allow us to train the model jointly over all times; thus learning on all data while simultaneously allowing word and context vectors to drift. Experimental results on three different corpora demonstrate that our dynamic model infers word embedding trajectories that are more interpretable and lead to higher predictive likelihoods than competing methods that are based on static models trained separately on time slices.