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Programs increasingly rely on randomization in applications such as cryptography and machine learning. Analyzing randomized programs has been a fruitful research direction, but there is a gap when programs also exploit nondeterminism (for concurrency, efficiency, or algorithmic design). In this paper, we introduce Demonic Outcome Logic for reasoning about programs that exploit both randomization and nondeterminism. The logic includes several novel features, such as reasoning about multiple executions in tandem and manipulating pre- and postconditions using familiar equational laws -- including the distributive law of probabilistic choices over nondeterministic ones. We also give rules for loops that both establish termination and quantify the distribution of final outcomes from a single premise. We illustrate the reasoning capabilities of Demonic Outcome Logic through several case studies, including the Monty Hall problem, an adversarial protocol for simulating fair coins, and a heuristic based probabilistic SAT solver.

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Wasserstein distances greatly influenced and coined various types of generative neural network models. Wasserstein autoencoders are particularly notable for their mathematical simplicity and straight-forward implementation. However, their adaptation to the conditional case displays theoretical difficulties. As a remedy, we propose the use of two paired autoencoders. Under the assumption of an optimal autoencoder pair, we leverage the pairwise independence condition of our prescribed Gaussian latent distribution to overcome this theoretical hurdle. We conduct several experiments to showcase the practical applicability of the resulting paired Wasserstein autoencoders. Here, we consider imaging tasks and enable conditional sampling for denoising, inpainting, and unsupervised image translation. Moreover, we connect our image translation model to the Monge map behind Wasserstein-2 distances.

The alignment between human objectives and machine learning models built on these objectives is a crucial yet challenging problem for achieving Trustworthy AI, particularly when preparing for superintelligence (SI). First, given that SI does not exist today, empirical analysis for direct evidence is difficult. Second, SI is assumed to be more intelligent than humans, capable of deceiving us into underestimating its intelligence, making output-based analysis unreliable. Lastly, what kind of unexpected property SI might have is still unclear. To address these challenges, we propose the Superficial Consciousness Hypothesis under Information Integration Theory (IIT), suggesting that SI could exhibit a complex information-theoretic state like a conscious agent while unconscious. To validate this, we use a hypothetical scenario where SI can update its parameters "at will" to achieve its own objective (mesa-objective) under the constraint of the human objective (base objective). We show that a practical estimate of IIT's consciousness metric is relevant to the widely used perplexity metric, and train GPT-2 with those two objectives. Our preliminary result suggests that this SI-simulating GPT-2 could simultaneously follow the two objectives, supporting the feasibility of the Superficial Consciousness Hypothesis.

In deductive verification and software model checking, dealing with certain specification language constructs can be problematic when the back-end solver is not sufficiently powerful or lacks the required theories. One way to deal with this is to transform, for verification purposes, the program to an equivalent one not using the problematic constructs, and to reason about this equivalent program instead. In this article, we propose program instrumentation as a unifying verification paradigm that subsumes various existing ad-hoc approaches, has a clear formal correctness criterion, can be applied automatically, and can transfer back witnesses and counterexamples. We illustrate our approach on the automated verification of programs that involve quantification and aggregation operations over arrays, such as the maximum value or sum of the elements in a given segment of the array, which are known to be difficult to reason about automatically. We implement our approach in the MonoCera tool, which is tailored to the verification of programs with aggregation, and evaluate it on example programs, including SV-COMP programs.

We propose to transfer representational knowledge from multiple sources to a target noisy matrix completion task by aggregating singular subspaces information. Under our representational similarity framework, we first integrate linear representation information by solving a two-way principal component analysis problem based on a properly debiased matrix-valued dataset. After acquiring better column and row representation estimators from the sources, the original high-dimensional target matrix completion problem is then transformed into a low-dimensional linear regression, of which the statistical efficiency is guaranteed. A variety of extensional arguments, including post-transfer statistical inference and robustness against negative transfer, are also discussed alongside. Finally, extensive simulation results and a number of real data cases are reported to support our claims.

The flexibility and the variety of computing resources offered by the cloud make it particularly attractive for executing user workloads. However, IaaS cloud environments pose non-trivial challenges in the case of workflow scheduling under deadlines and monetary cost constraints. Indeed, given the typical uncertain performance behavior of cloud resources, scheduling algorithms that assume deterministic execution times may fail, thus requiring probabilistic approaches. However, existing probabilistic algorithms are computationally expensive, mainly due to the greater complexity of the workflow scheduling problem in its probabilistic form, and they hardily scale with the size of the problem instance. In this article, we propose EPOSS, a novel workflow scheduling algorithm for IaaS cloud environments based on a probabilistic formulation. Our solution blends together the low execution latency of state-of-the-art scheduling algorithms designed for the case of deterministic execution times and the capability to enforce probabilistic constraints.Designed with computational efficiency in mind, EPOSS achieves one to two orders lower execution times in comparison with existing probabilistic schedulers. Furthermore, it ensures good scaling with respect to workflow size and number of heterogeneous virtual machine types offered by the IaaS cloud environment. We evaluated the benefits of our algorithm via an experimental comparison over a variety of workloads and characteristics of IaaS cloud environments.

Best subset selection is considered the `gold standard' for many sparse learning problems. A variety of optimization techniques have been proposed to attack this non-smooth non-convex problem. In this paper, we investigate the dual forms of a family of $\ell_0$-regularized problems. An efficient primal-dual algorithm is developed based on the primal and dual problem structures. By leveraging the dual range estimation along with the incremental strategy, our algorithm potentially reduces redundant computation and improves the solutions of best subset selection. Theoretical analysis and experiments on synthetic and real-world datasets validate the efficiency and statistical properties of the proposed solutions.

Contrastive learning models have achieved great success in unsupervised visual representation learning, which maximize the similarities between feature representations of different views of the same image, while minimize the similarities between feature representations of views of different images. In text summarization, the output summary is a shorter form of the input document and they have similar meanings. In this paper, we propose a contrastive learning model for supervised abstractive text summarization, where we view a document, its gold summary and its model generated summaries as different views of the same mean representation and maximize the similarities between them during training. We improve over a strong sequence-to-sequence text generation model (i.e., BART) on three different summarization datasets. Human evaluation also shows that our model achieves better faithfulness ratings compared to its counterpart without contrastive objectives.

Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

We advocate the use of implicit fields for learning generative models of shapes and introduce an implicit field decoder for shape generation, aimed at improving the visual quality of the generated shapes. An implicit field assigns a value to each point in 3D space, so that a shape can be extracted as an iso-surface. Our implicit field decoder is trained to perform this assignment by means of a binary classifier. Specifically, it takes a point coordinate, along with a feature vector encoding a shape, and outputs a value which indicates whether the point is outside the shape or not. By replacing conventional decoders by our decoder for representation learning and generative modeling of shapes, we demonstrate superior results for tasks such as shape autoencoding, generation, interpolation, and single-view 3D reconstruction, particularly in terms of visual quality.

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