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This paper establishes a rigorous connection between circuit representations and tensor factorizations, two seemingly distinct yet fundamentally related areas. By connecting these fields, we highlight a series of opportunities that can benefit both communities. Our work generalizes popular tensor factorizations within the circuit language, and unifies various circuit learning algorithms under a single, generalized hierarchical factorization framework. Specifically, we introduce a modular "Lego block" approach to build tensorized circuit architectures. This, in turn, allows us to systematically construct and explore various circuit and tensor factorization models while maintaining tractability. This connection not only clarifies similarities and differences in existing models, but also enables the development of a comprehensive pipeline for building and optimizing new circuit/tensor factorization architectures. We show the effectiveness of our framework through extensive empirical evaluations, and highlight new research opportunities for tensor factorizations in probabilistic modeling.

Large language models (LLMs) are a promising venue for natural language understanding and generation. However, current LLMs are far from reliable: they are prone to generating non-factual information and, more crucially, to contradicting themselves when prompted to reason about relations between entities of the world. These problems are currently addressed with large scale fine-tuning or by delegating reasoning to external tools. In this work, we strive for a middle ground and introduce a loss based on neuro-symbolic reasoning that teaches an LLM to be logically consistent with an external set of facts and rules and improves self-consistency even when the LLM is fine-tuned on a limited set of facts. Our approach also allows to easily combine multiple logical constraints at once in a principled way, delivering LLMs that are more consistent w.r.t. all constraints and improve over several baselines w.r.t. a given constraint. Moreover, our method allows LLMs to extrapolate to unseen but semantically similar factual knowledge, represented in unseen datasets, more systematically.

Designing expressive generative models that support exact and efficient inference is a core question in probabilistic ML. Probabilistic circuits (PCs) offer a framework where this tractability-vs-expressiveness trade-off can be analyzed theoretically. Recently, squared PCs encoding subtractive mixtures via negative parameters have emerged as tractable models that can be exponentially more expressive than monotonic PCs, i.e., PCs with positive parameters only. In this paper, we provide a more precise theoretical characterization of the expressiveness relationships among these models. First, we prove that squared PCs can be less expressive than monotonic ones. Second, we formalize a novel class of PCs -- sum of squares PCs -- that can be exponentially more expressive than both squared and monotonic PCs. Around sum of squares PCs, we build an expressiveness hierarchy that allows us to precisely unify and separate different tractable model classes such as Born Machines and PSD models, and other recently introduced tractable probabilistic models by using complex parameters. Finally, we empirically show the effectiveness of sum of squares circuits in performing distribution estimation.

Code-LLMs, LLMs pre-trained on large code corpora, have shown great progress in learning rich representations of the structure and syntax of code, successfully using it to generate or classify code fragments. At the same time, understanding if they are able to do so because they capture code semantics, and how well, is still an open question. In this paper, we tackle this problem by introducing SeqCoBench, a benchmark for systematically assessing how Code-LLMs can capture code functional equivalence. SeqCoBench contains over 20 code transformations that either preserve or alter the semantics of Python programs. We conduct extensive evaluations in different settings, including zero-shot and parameter-efficient finetuning methods on state-of-the-art (Code-)LLMs to see if they can discern semantically equivalent or different pairs of programs in SeqCoBench. We find that the performance gap between these LLMs and classical match-based retrieval scores is minimal, with both approaches showing a concerning lack of depth in understanding code semantics., Comment: 37 pages

The advent of powerful neural classifiers has increased interest in problems that require both learning and reasoning. These problems are critical for understanding important properties of models, such as trustworthiness, generalization, interpretability, and compliance to safety and structural constraints. However, recent research observed that tasks requiring both learning and reasoning on background knowledge often suffer from reasoning shortcuts (RSs): predictors can solve the downstream reasoning task without associating the correct concepts to the high-dimensional data. To address this issue, we introduce rsbench, a comprehensive benchmark suite designed to systematically evaluate the impact of RSs on models by providing easy access to highly customizable tasks affected by RSs. Furthermore, rsbench implements common metrics for evaluating concept quality and introduces novel formal verification procedures for assessing the presence of RSs in learning tasks. Using rsbench, we highlight that obtaining high quality concepts in both purely neural and neuro-symbolic models is a far-from-solved problem. rsbench is available at: https://unitn-sml.github.io/rsbench.

Probabilistic integral circuits (PICs) have been recently introduced as probabilistic models enjoying the key ingredient behind expressive generative models: continuous latent variables (LVs). PICs are symbolic computational graphs defining continuous LV models as hierarchies of functions that are summed and multiplied together, or integrated over some LVs. They are tractable if LVs can be analytically integrated out, otherwise they can be approximated by tractable probabilistic circuits (PC) encoding a hierarchical numerical quadrature process, called QPCs. So far, only tree-shaped PICs have been explored, and training them via numerical quadrature requires memory-intensive processing at scale. In this paper, we address these issues, and present: (i) a pipeline for building DAG-shaped PICs out of arbitrary variable decompositions, (ii) a procedure for training PICs using tensorized circuit architectures, and (iii) neural functional sharing techniques to allow scalable training. In extensive experiments, we showcase the effectiveness of functional sharing and the superiority of QPCs over traditional PCs.

Large language models (LLMs) are a promising venue for natural language understanding and generation tasks. However, current LLMs are far from reliable: they are prone to generate non-factual information and, more crucially, to contradict themselves when prompted to reason about beliefs of the world. These problems are currently addressed with large scale fine-tuning or by delegating consistent reasoning to external tools. In this work, we strive for a middle ground and introduce a training objective based on principled probabilistic reasoning that teaches a LLM to be consistent with external knowledge in the form of a set of facts and rules. Fine-tuning with our loss on a limited set of facts enables our LLMs to be more logically consistent than previous baselines and allows them to extrapolate to unseen but semantically similar factual knowledge more systematically., Comment: Accepted at ICLR 2024 Workshop on Reliable and Responsible Foundation Models

State-of-the-art neurosymbolic learning systems use probabilistic reasoning to guide neural networks towards predictions that conform to logical constraints over symbols. Many such systems assume that the probabilities of the considered symbols are conditionally independent given the input to simplify learning and reasoning. We study and criticise this assumption, highlighting how it can hinder optimisation and prevent uncertainty quantification. We prove that loss functions bias conditionally independent neural networks to become overconfident in their predictions. As a result, they are unable to represent uncertainty over multiple valid options. Furthermore, we prove that these loss functions are difficult to optimise: they are non-convex, and their minima are usually highly disconnected. Our theoretical analysis gives the foundation for replacing the conditional independence assumption and designing more expressive neurosymbolic probabilistic models., Comment: Accepted at ICML 2024

Neuro-Symbolic (NeSy) predictors that conform to symbolic knowledge - encoding, e.g., safety constraints - can be affected by Reasoning Shortcuts (RSs): They learn concepts consistent with the symbolic knowledge by exploiting unintended semantics. RSs compromise reliability and generalization and, as we show in this paper, they are linked to NeSy models being overconfident about the predicted concepts. Unfortunately, the only trustworthy mitigation strategy requires collecting costly dense supervision over the concepts. Rather than attempting to avoid RSs altogether, we propose to ensure NeSy models are aware of the semantic ambiguity of the concepts they learn, thus enabling their users to identify and distrust low-quality concepts. Starting from three simple desiderata, we derive bears (BE Aware of Reasoning Shortcuts), an ensembling technique that calibrates the model's concept-level confidence without compromising prediction accuracy, thus encouraging NeSy architectures to be uncertain about concepts affected by RSs. We show empirically that bears improves RS-awareness of several state-of-the-art NeSy models, and also facilitates acquiring informative dense annotations for mitigation purposes.

Recent work showed the possibility of building open-vocabulary large language models (LLMs) that directly operate on pixel representations. These models are implemented as autoencoders that reconstruct masked patches of rendered text. However, these pixel-based LLMs are limited to discriminative tasks (e.g., classification) and, similar to BERT, cannot be used to generate text. Therefore, they cannot be used for generative tasks such as free-form question answering. In this work, we introduce PIXAR, the first pixel-based autoregressive LLM that performs text generation. Consisting of only a decoder, PIXAR can perform free-form generative tasks while keeping the number of parameters on par with previous encoder-decoder models. Furthermore, we highlight the challenges of generating text as non-noisy images and show this is due to using a maximum likelihood objective. To overcome this problem, we propose an adversarial pretraining stage that improves the readability and accuracy of PIXAR by 8.1 on LAMBADA and 8.5 on bAbI -- making it comparable to GPT-2 on text generation tasks. This paves the way to build open-vocabulary LLMs that operate on perceptual input only and calls into question the necessity of the usual symbolic input representation, i.e., text as (sub)tokens.

Personal sensing, leveraging data passively and near-continuously collected with wearables from patients in their ecological environment, is a promising paradigm to monitor mood disorders (MDs), a major determinant of worldwide disease burden. However, collecting and annotating wearable data is very resource-intensive. Studies of this kind can thus typically afford to recruit only a couple dozens of patients. This constitutes one of the major obstacles to applying modern supervised machine learning techniques to MDs detection. In this paper, we overcome this data bottleneck and advance the detection of MDs acute episode vs stable state from wearables data on the back of recent advances in self-supervised learning (SSL). This leverages unlabelled data to learn representations during pre-training, subsequently exploited for a supervised task. First, we collected open-access datasets recording with an Empatica E4 spanning different, unrelated to MD monitoring, personal sensing tasks -- from emotion recognition in Super Mario players to stress detection in undergraduates -- and devised a pre-processing pipeline performing on-/off-body detection, sleep-wake detection, segmentation, and (optionally) feature extraction. With 161 E4-recorded subjects, we introduce E4SelfLearning, the largest to date open access collection, and its pre-processing pipeline. Second, we show that SSL confidently outperforms fully-supervised pipelines using either our novel E4-tailored Transformer architecture (E4mer) or classical baseline XGBoost: 81.23% against 75.35% (E4mer) and 72.02% (XGBoost) correctly classified recording segments from 64 (half acute, half stable) patients. Lastly, we illustrate that SSL performance is strongly associated with the specific surrogate task employed for pre-training as well as with unlabelled data availability.

Continuous latent variables (LVs) are a key ingredient of many generative models, as they allow modelling expressive mixtures with an uncountable number of components. In contrast, probabilistic circuits (PCs) are hierarchical discrete mixtures represented as computational graphs composed of input, sum and product units. Unlike continuous LV models, PCs provide tractable inference but are limited to discrete LVs with categorical (i.e. unordered) states. We bridge these model classes by introducing probabilistic integral circuits (PICs), a new language of computational graphs that extends PCs with integral units representing continuous LVs. In the first place, PICs are symbolic computational graphs and are fully tractable in simple cases where analytical integration is possible. In practice, we parameterise PICs with light-weight neural nets delivering an intractable hierarchical continuous mixture that can be approximated arbitrarily well with large PCs using numerical quadrature. On several distribution estimation benchmarks, we show that such PIC-approximating PCs systematically outperform PCs commonly learned via expectation-maximization or SGD.

Sigmoid output layers are widely used in multi-label classification (MLC) tasks, in which multiple labels can be assigned to any input. In many practical MLC tasks, the number of possible labels is in the thousands, often exceeding the number of input features and resulting in a low-rank output layer. In multi-class classification, it is known that such a low-rank output layer is a bottleneck that can result in unargmaxable classes: classes which cannot be predicted for any input. In this paper, we show that for MLC tasks, the analogous sigmoid bottleneck results in exponentially many unargmaxable label combinations. We explain how to detect these unargmaxable outputs and demonstrate their presence in three widely used MLC datasets. We then show that they can be prevented in practice by introducing a Discrete Fourier Transform (DFT) output layer, which guarantees that all sparse label combinations with up to $k$ active labels are argmaxable. Our DFT layer trains faster and is more parameter efficient, matching the F1@k score of a sigmoid layer while using up to 50% fewer trainable parameters. Our code is publicly available at https://github.com/andreasgrv/sigmoid-bottleneck., Comment: Published at AAAI24

Mixture models are traditionally represented and learned by adding several distributions as components. Allowing mixtures to subtract probability mass or density can drastically reduce the number of components needed to model complex distributions. However, learning such subtractive mixtures while ensuring they still encode a non-negative function is challenging. We investigate how to learn and perform inference on deep subtractive mixtures by squaring them. We do this in the framework of probabilistic circuits, which enable us to represent tensorized mixtures and generalize several other subtractive models. We theoretically prove that the class of squared circuits allowing subtractions can be exponentially more expressive than traditional additive mixtures; and, we empirically show this increased expressiveness on a series of real-world distribution estimation tasks.

Knowledge graphs are powerful tools for representing and organising complex biomedical data. Several knowledge graph embedding algorithms have been proposed to learn from and complete knowledge graphs. However, a recent study demonstrates the limited efficacy of these embedding algorithms when applied to biomedical knowledge graphs, raising the question of whether knowledge graph embeddings have limitations in biomedical settings. This study aims to apply state-of-the-art knowledge graph embedding models in the context of a recent biomedical knowledge graph, BioKG, and evaluate their performance and potential downstream uses. We achieve a three-fold improvement in terms of performance based on the HITS@10 score over previous work on the same biomedical knowledge graph. Additionally, we provide interpretable predictions through a rule-based method. We demonstrate that knowledge graph embedding models are applicable in practice by evaluating the best-performing model on four tasks that represent real-life polypharmacy situations. Results suggest that knowledge learnt from large biomedical knowledge graphs can be transferred to such downstream use cases. Our code is available at https://github.com/aryopg/biokge.

Neuro-Symbolic (NeSy) predictive models hold the promise of improved compliance with given constraints, systematic generalization, and interpretability, as they allow to infer labels that are consistent with some prior knowledge by reasoning over high-level concepts extracted from sub-symbolic inputs. It was recently shown that NeSy predictors are affected by reasoning shortcuts: they can attain high accuracy but by leveraging concepts with unintended semantics, thus coming short of their promised advantages. Yet, a systematic characterization of reasoning shortcuts and of potential mitigation strategies is missing. This work fills this gap by characterizing them as unintended optima of the learning objective and identifying four key conditions behind their occurrence. Based on this, we derive several natural mitigation strategies, and analyze their efficacy both theoretically and empirically. Our analysis shows reasoning shortcuts are difficult to deal with, casting doubts on the trustworthiness and interpretability of existing NeSy solutions., Comment: 37th Conference on Neural Information Processing Systems (NeurIPS 2023)

Some of the most successful knowledge graph embedding (KGE) models for link prediction -- CP, RESCAL, TuckER, ComplEx -- can be interpreted as energy-based models. Under this perspective they are not amenable for exact maximum-likelihood estimation (MLE), sampling and struggle to integrate logical constraints. This work re-interprets the score functions of these KGEs as circuits -- constrained computational graphs allowing efficient marginalisation. Then, we design two recipes to obtain efficient generative circuit models by either restricting their activations to be non-negative or squaring their outputs. Our interpretation comes with little or no loss of performance for link prediction, while the circuits framework unlocks exact learning by MLE, efficient sampling of new triples, and guarantee that logical constraints are satisfied by design. Furthermore, our models scale more gracefully than the original KGEs on graphs with millions of entities.

Continual learning (CL) is one of the most promising trends in recent machine learning research. Its goal is to go beyond classical assumptions in machine learning and develop models and learning strategies that present high robustness in dynamic environments. The landscape of CL research is fragmented into several learning evaluation protocols, comprising different learning tasks, datasets, and evaluation metrics. Additionally, the benchmarks adopted so far are still distant from the complexity of real-world scenarios, and are usually tailored to highlight capabilities specific to certain strategies. In such a landscape, it is hard to objectively assess strategies. In this work, we fill this gap for CL on image data by introducing two novel CL benchmarks that involve multiple heterogeneous tasks from six image datasets, with varying levels of complexity and quality. Our aim is to fairly evaluate current state-of-the-art CL strategies on a common ground that is closer to complex real-world scenarios. We additionally structure our benchmarks so that tasks are presented in increasing and decreasing order of complexity -- according to a curriculum -- in order to evaluate if current CL models are able to exploit structure across tasks. We devote particular emphasis to providing the CL community with a rigorous and reproducible evaluation protocol for measuring the ability of a model to generalize and not to forget while learning. Furthermore, we provide an extensive experimental evaluation showing that popular CL strategies, when challenged with our benchmarks, yield sub-par performance, high levels of forgetting, and present a limited ability to effectively leverage curriculum task ordering. We believe that these results highlight the need for rigorous comparisons in future CL works as well as pave the way to design new CL strategies that are able to deal with more complex scenarios.

While showing impressive performance on various kinds of learning tasks, it is yet unclear whether deep learning models have the ability to robustly tackle reasoning tasks. than by learning the underlying reasoning process that is actually required to solve the tasks. Measuring the robustness of reasoning in machine learning models is challenging as one needs to provide a task that cannot be easily shortcut by exploiting spurious statistical correlations in the data, while operating on complex objects and constraints. reasoning task. To address this issue, we propose ChemAlgebra, a benchmark for measuring the reasoning capabilities of deep learning models through the prediction of stoichiometrically-balanced chemical reactions. ChemAlgebra requires manipulating sets of complex discrete objects -- molecules represented as formulas or graphs -- under algebraic constraints such as the mass preservation principle. We believe that ChemAlgebra can serve as a useful test bed for the next generation of machine reasoning models and as a promoter of their development.

We design a predictive layer for structured-output prediction (SOP) that can be plugged into any neural network guaranteeing its predictions are consistent with a set of predefined symbolic constraints. Our Semantic Probabilistic Layer (SPL) can model intricate correlations, and hard constraints, over a structured output space all while being amenable to end-to-end learning via maximum likelihood. SPLs combine exact probabilistic inference with logical reasoning in a clean and modular way, learning complex distributions and restricting their support to solutions of the constraint. As such, they can faithfully, and efficiently, model complex SOP tasks beyond the reach of alternative neuro-symbolic approaches. We empirically demonstrate that SPLs outperform these competitors in terms of accuracy on challenging SOP tasks including hierarchical multi-label classification, pathfinding and preference learning, while retaining perfect constraint satisfaction.

In this position paper, we study interactive learning for structured output spaces, with a focus on active learning, in which labels are unknown and must be acquired, and on skeptical learning, in which the labels are noisy and may need relabeling. These scenarios require expressive models that guarantee reliable and efficient computation of probabilistic quantities to measure uncertainty. We identify conditions under which a class of probabilistic models -- which we denote CRISPs -- meet all of these conditions, thus delivering tractable computation of the above quantities while preserving expressiveness. Building on prior work on tractable probabilistic circuits, we illustrate how CRISPs enable robust and efficient active and skeptical learning in large structured output spaces., Comment: Accepted at the AAAI-22 Workshop on Interactive Machine Learning

Computing the expectation of kernel functions is a ubiquitous task in machine learning, with applications from classical support vector machines to exploiting kernel embeddings of distributions in probabilistic modeling, statistical inference, causal discovery, and deep learning. In all these scenarios, we tend to resort to Monte Carlo estimates as expectations of kernels are intractable in general. In this work, we characterize the conditions under which we can compute expected kernels exactly and efficiently, by leveraging recent advances in probabilistic circuit representations. We first construct a circuit representation for kernels and propose an approach to such tractable computation. We then demonstrate possible advancements for kernel embedding frameworks by exploiting tractable expected kernels to derive new algorithms for two challenging scenarios: 1) reasoning under missing data with kernel support vector regressors; 2) devising a collapsed black-box importance sampling scheme. Finally, we empirically evaluate both algorithms and show that they outperform standard baselines on a variety of datasets.

Circuit representations are becoming the lingua franca to express and reason about tractable generative and discriminative models. In this paper, we show how complex inference scenarios for these models that commonly arise in machine learning -- from computing the expectations of decision tree ensembles to information-theoretic divergences of deep mixture models -- can be represented in terms of tractable modular operations over circuits. Specifically, we characterize the tractability of a vocabulary of simple transformations -- sums, products, quotients, powers, logarithms, and exponentials -- in terms of sufficient structural constraints of the circuits they operate on, and present novel hardness results for the cases in which these properties are not satisfied. Building on these operations, we derive a unified framework for reasoning about tractable models that generalizes several results in the literature and opens up novel tractable inference scenarios.

Guessing games are a prototypical instance of the "learning by interacting" paradigm. This work investigates how well an artificial agent can benefit from playing guessing games when later asked to perform on novel NLP downstream tasks such as Visual Question Answering (VQA). We propose two ways to exploit playing guessing games: 1) a supervised learning scenario in which the agent learns to mimic successful guessing games and 2) a novel way for an agent to play by itself, called Self-play via Iterated Experience Learning (SPIEL). We evaluate the ability of both procedures to generalize: an in-domain evaluation shows an increased accuracy (+7.79) compared with competitors on the evaluation suite CompGuessWhat?!; a transfer evaluation shows improved performance for VQA on the TDIUC dataset in terms of harmonic average accuracy (+5.31) thanks to more fine-grained object representations learned via SPIEL., Comment: Accepted paper for the 16th Conference of the European Chapter of the Association for Computational Linguistics (EACL 2021)

In visual guessing games, a Guesser has to identify a target object in a scene by asking questions to an Oracle. An effective strategy for the players is to learn conceptual representations of objects that are both discriminative and expressive enough to ask questions and guess correctly. However, as shown by Suglia et al. (2020), existing models fail to learn truly multi-modal representations, relying instead on gold category labels for objects in the scene both at training and inference time. This provides an unnatural performance advantage when categories at inference time match those at training time, and it causes models to fail in more realistic "zero-shot" scenarios where out-of-domain object categories are involved. To overcome this issue, we introduce a novel "imagination" module based on Regularized Auto-Encoders, that learns context-aware and category-aware latent embeddings without relying on category labels at inference time. Our imagination module outperforms state-of-the-art competitors by 8.26% gameplay accuracy in the CompGuessWhat?! zero-shot scenario (Suglia et al., 2020), and it improves the Oracle and Guesser accuracy by 2.08% and 12.86% in the GuessWhat?! benchmark, when no gold categories are available at inference time. The imagination module also boosts reasoning about object properties and attributes., Comment: Accepted to the International Conference on Computational Linguistics (COLING) 2020

Probabilistic circuits (PCs) represent a probability distribution as a computational graph. Enforcing structural properties on these graphs guarantees that several inference scenarios become tractable. Among these properties, structured decomposability is a particularly appealing one: it enables the efficient and exact computations of the probability of complex logical formulas, and can be used to reason about the expected output of certain predictive models under missing data. This paper proposes Strudel, a simple, fast and accurate learning algorithm for structured-decomposable PCs. Compared to prior work for learning structured-decomposable PCs, Strudel delivers more accurate single PC models in fewer iterations, and dramatically scales learning when building ensembles of PCs. It achieves this scalability by exploiting another structural property of PCs, called determinism, and by sharing the same computational graph across mixture components. We show these advantages on standard density estimation benchmarks and challenging inference scenarios., Comment: 12 pages, 3 figures, to be published on PGM2020 (The 10th International Conference on Probabilistic Graphical Models)

Decision trees are a popular family of models due to their attractive properties such as interpretability and ability to handle heterogeneous data. Concurrently, missing data is a prevalent occurrence that hinders performance of machine learning models. As such, handling missing data in decision trees is a well studied problem. In this paper, we tackle this problem by taking a probabilistic approach. At deployment time, we use tractable density estimators to compute the "expected prediction" of our models. At learning time, we fine-tune parameters of already learned trees by minimizing their "expected prediction loss" w.r.t.\ our density estimators. We provide brief experiments showcasing effectiveness of our methods compared to few baselines.

Probabilistic circuits (PCs) are a promising avenue for probabilistic modeling, as they permit a wide range of exact and efficient inference routines. Recent ``deep-learning-style'' implementations of PCs strive for a better scalability, but are still difficult to train on real-world data, due to their sparsely connected computational graphs. In this paper, we propose Einsum Networks (EiNets), a novel implementation design for PCs, improving prior art in several regards. At their core, EiNets combine a large number of arithmetic operations in a single monolithic einsum-operation, leading to speedups and memory savings of up to two orders of magnitude, in comparison to previous implementations. As an algorithmic contribution, we show that the implementation of Expectation-Maximization (EM) can be simplified for PCs, by leveraging automatic differentiation. Furthermore, we demonstrate that EiNets scale well to datasets which were previously out of reach, such as SVHN and CelebA, and that they can be used as faithful generative image models.

Weighted model integration (WMI) is a very appealing framework for probabilistic inference: it allows to express the complex dependencies of real-world problems where variables are both continuous and discrete, via the language of Satisfiability Modulo Theories (SMT), as well as to compute probabilistic queries with complex logical and arithmetic constraints. Yet, existing WMI solvers are not ready to scale to these problems. They either ignore the intrinsic dependency structure of the problem at all, or they are limited to too restrictive structures. To narrow this gap, we derive a factorized formalism of WMI enabling us to devise a scalable WMI solver based on message passing, MP-WMI. Namely, MP-WMI is the first WMI solver which allows to: 1) perform exact inference on the full class of tree-structured WMI problems; 2) compute all marginal densities in linear time; 3) amortize inference inter query. Experimental results show that our solver dramatically outperforms the existing WMI solvers on a large set of benchmarks.

Computing expected predictions of discriminative models is a fundamental task in machine learning that appears in many interesting applications such as fairness, handling missing values, and data analysis. Unfortunately, computing expectations of a discriminative model with respect to a probability distribution defined by an arbitrary generative model has been proven to be hard in general. In fact, the task is intractable even for simple models such as logistic regression and a naive Bayes distribution. In this paper, we identify a pair of generative and discriminative models that enables tractable computation of expectations, as well as moments of any order, of the latter with respect to the former in case of regression. Specifically, we consider expressive probabilistic circuits with certain structural constraints that support tractable probabilistic inference. Moreover, we exploit the tractable computation of high-order moments to derive an algorithm to approximate the expectations for classification scenarios in which exact computations are intractable. Our framework to compute expected predictions allows for handling of missing data during prediction time in a principled and accurate way and enables reasoning about the behavior of discriminative models. We empirically show our algorithm to consistently outperform standard imputation techniques on a variety of datasets. Finally, we illustrate how our framework can be used for exploratory data analysis.

Weighted model integration (WMI) is a very appealing framework for probabilistic inference: it allows to express the complex dependencies of real-world hybrid scenarios where variables are heterogeneous in nature (both continuous and discrete) via the language of Satisfiability Modulo Theories (SMT); as well as computing probabilistic queries with arbitrarily complex logical constraints. Recent work has shown WMI inference to be reducible to a model integration (MI) problem, under some assumptions, thus effectively allowing hybrid probabilistic reasoning by volume computations. In this paper, we introduce a novel formulation of MI via a message passing scheme that allows to efficiently compute the marginal densities and statistical moments of all the variables in linear time. As such, we are able to amortize inference for arbitrarily rich MI queries when they conform to the problem structure, here represented as the primal graph associated to the SMT formula. Furthermore, we theoretically trace the tractability boundaries of exact MI. Indeed, we prove that in terms of the structural requirements on the primal graph that make our MI algorithm tractable - bounding its diameter and treewidth - the bounds are not only sufficient, but necessary for tractable inference via MI.

Probabilistic graphical models are a central tool in AI; however, they are generally not as expressive as deep neural models, and inference is notoriously hard and slow. In contrast, deep probabilistic models such as sum-product networks (SPNs) capture joint distributions in a tractable fashion, but still lack the expressive power of intractable models based on deep neural networks. Therefore, we introduce conditional SPNs (CSPNs), conditional density estimators for multivariate and potentially hybrid domains which allow harnessing the expressive power of neural networks while still maintaining tractability guarantees. One way to implement CSPNs is to use an existing SPN structure and condition its parameters on the input, e.g., via a deep neural network. This approach, however, might misrepresent the conditional independence structure present in data. Consequently, we also develop a structure-learning approach that derives both the structure and parameters of CSPNs from data. Our experimental evidence demonstrates that CSPNs are competitive with other probabilistic models and yield superior performance on multilabel image classification compared to mean field and mixture density networks. Furthermore, they can successfully be employed as building blocks for structured probabilistic models, such as autoregressive image models., Comment: 13 pages, 6 figures

Variational Autoencoders (VAEs) provide a theoretically-backed and popular framework for deep generative models. However, learning a VAE from data poses still unanswered theoretical questions and considerable practical challenges. In this work, we propose an alternative framework for generative modeling that is simpler, easier to train, and deterministic, yet has many of the advantages of VAEs. We observe that sampling a stochastic encoder in a Gaussian VAE can be interpreted as simply injecting noise into the input of a deterministic decoder. We investigate how substituting this kind of stochasticity, with other explicit and implicit regularization schemes, can lead to an equally smooth and meaningful latent space without forcing it to conform to an arbitrarily chosen prior. To retrieve a generative mechanism to sample new data, we introduce an ex-post density estimation step that can be readily applied also to existing VAEs, improving their sample quality. We show, in a rigorous empirical study, that the proposed regularized deterministic autoencoders are able to generate samples that are comparable to, or better than, those of VAEs and more powerful alternatives when applied to images as well as to structured data such as molecules. \footnote{An implementation is available at: \url{https://github.com/ParthaEth/Regularized_autoencoders-RAE-}}, Comment: Partha Ghosh and Mehdi S. M. Sajjadi contributed equally to this work

We introduce SPFlow, an open-source Python library providing a simple interface to inference, learning and manipulation routines for deep and tractable probabilistic models called Sum-Product Networks (SPNs). The library allows one to quickly create SPNs both from data and through a domain specific language (DSL). It efficiently implements several probabilistic inference routines like computing marginals, conditionals and (approximate) most probable explanations (MPEs) along with sampling as well as utilities for serializing, plotting and structure statistics on an SPN. Moreover, many of the algorithms proposed in the literature to learn the structure and parameters of SPNs are readily available in SPFlow. Furthermore, SPFlow is extremely extensible and customizable, allowing users to promptly distill new inference and learning routines by injecting custom code into a lightweight functional-oriented API framework. This is achieved in SPFlow by keeping an internal Python representation of the graph structure that also enables practical compilation of an SPN into a TensorFlow graph, C, CUDA or FPGA custom code, significantly speeding-up computations., Comment: 4 pages, 1 figure, code

Making sense of a dataset in an automatic and unsupervised fashion is a challenging problem in statistics and AI. Classical approaches for {exploratory data analysis} are usually not flexible enough to deal with the uncertainty inherent to real-world data: they are often restricted to fixed latent interaction models and homogeneous likelihoods; they are sensitive to missing, corrupt and anomalous data; moreover, their expressiveness generally comes at the price of intractable inference. As a result, supervision from statisticians is usually needed to find the right model for the data. However, since domain experts are not necessarily also experts in statistics, we propose Automatic Bayesian Density Analysis (ABDA) to make exploratory data analysis accessible at large. Specifically, ABDA allows for automatic and efficient missing value estimation, statistical data type and likelihood discovery, anomaly detection and dependency structure mining, on top of providing accurate density estimation. Extensive empirical evidence shows that ABDA is a suitable tool for automatic exploratory analysis of mixed continuous and discrete tabular data., Comment: In proceedings of the Thirty-Third AAAI Conference on Artificial Intelligence (AAAI-19)

The need for consistent treatment of uncertainty has recently triggered increased interest in probabilistic deep learning methods. However, most current approaches have severe limitations when it comes to inference, since many of these models do not even permit to evaluate exact data likelihoods. Sum-product networks (SPNs), on the other hand, are an excellent architecture in that regard, as they allow to efficiently evaluate likelihoods, as well as arbitrary marginalization and conditioning tasks. Nevertheless, SPNs have not been fully explored as serious deep learning models, likely due to their special structural requirements, which complicate learning. In this paper, we make a drastic simplification and use random SPN structures which are trained in a "classical deep learning manner", i.e. employing automatic differentiation, SGD, and GPU support. The resulting models, called RAT-SPNs, yield prediction results comparable to deep neural networks, while still being interpretable as generative model and maintaining well-calibrated uncertainties. This property makes them highly robust under missing input features and enables them to naturally detect outliers and peculiar samples.

While all kinds of mixed data -from personal data, over panel and scientific data, to public and commercial data- are collected and stored, building probabilistic graphical models for these hybrid domains becomes more difficult. Users spend significant amounts of time in identifying the parametric form of the random variables (Gaussian, Poisson, Logit, etc.) involved and learning the mixed models. To make this difficult task easier, we propose the first trainable probabilistic deep architecture for hybrid domains that features tractable queries. It is based on Sum-Product Networks (SPNs) with piecewise polynomial leave distributions together with novel nonparametric decomposition and conditioning steps using the Hirschfeld-Gebelein-R\'enyi Maximum Correlation Coefficient. This relieves the user from deciding a-priori the parametric form of the random variables but is still expressive enough to effectively approximate any continuous distribution and permits efficient learning and inference. Our empirical evidence shows that the architecture, called Mixed SPNs, can indeed capture complex distributions across a wide range of hybrid domains., Comment: 16 Pages, 5 Figures

Sum-Product Networks (SPNs) are recently introduced deep tractable probabilistic models by which several kinds of inference queries can be answered exactly and in a tractable time. Up to now, they have been largely used as black box density estimators, assessed only by comparing their likelihood scores only. In this paper we explore and exploit the inner representations learned by SPNs. We do this with a threefold aim: first we want to get a better understanding of the inner workings of SPNs; secondly, we seek additional ways to evaluate one SPN model and compare it against other probabilistic models, providing diagnostic tools to practitioners; lastly, we want to empirically evaluate how good and meaningful the extracted representations are, as in a classic Representation Learning framework. In order to do so we revise their interpretation as deep neural networks and we propose to exploit several visualization techniques on their node activations and network outputs under different types of inference queries. To investigate these models as feature extractors, we plug some SPNs, learned in a greedy unsupervised fashion on image datasets, in supervised classification learning tasks. We extract several embedding types from node activations by filtering nodes by their type, by their associated feature abstraction level and by their scope. In a thorough empirical comparison we prove them to be competitive against those generated from popular feature extractors as Restricted Boltzmann Machines. Finally, we investigate embeddings generated from random probabilistic marginal queries as means to compare other tractable probabilistic models on a common ground, extending our experiments to Mixtures of Trees., Comment: Machine Learning Journal paper (First Online), 24 pages

Probabilistic models learned as density estimators can be exploited in representation learning beside being toolboxes used to answer inference queries only. However, how to extract useful representations highly depends on the particular model involved. We argue that tractable inference, i.e. inference that can be computed in polynomial time, can enable general schemes to extract features from black box models. We plan to investigate how Tractable Probabilistic Models (TPMs) can be exploited to generate embeddings by random query evaluations. We devise two experimental designs to assess and compare different TPMs as feature extractors in an unsupervised representation learning framework. We show some experimental results on standard image datasets by applying such a method to Sum-Product Networks and Mixture of Trees as tractable models generating embeddings., Comment: 10 pages, submitted to ECML-PKDD 2016 Doctoral Consortium