OpenRaiser/Intern-Atlas huggingface dataset:
Learning Data Representations with Joint Diffusion Models
Venue: arXiv cs.LG 2023
Year: 2023

Joint machine learning models that allow synthesizing and classifying data often offer uneven performance between those tasks or are unstable to train. In this work, we depart from a set of empirical observations that indicate the usefulness of internal representations built by contemporary deep diffusion-based generative models not only for generating but also predicting. We then propose to extend the vanilla diffusion model with a classifier that allows for stable joint end-to-end training with shared parameterization between those objectives. The resulting joint diffusion model outperforms recent state-of-the-art hybrid methods in terms of both classification and generation quality on all evaluated benchmarks. On top of our joint training approach, we present how we can directly benefit from shared generative and discriminative representations by introducing a method for visual counterfactual explanations.
Enhancing NOMA Networks via Reconfigurable Multi-Functional Surface
Venue: arXiv cs.IT 2023
Year: 2023

By flexibly manipulating the radio propagation environment, reconfigurable intelligent surface (RIS) is a promising technique for future wireless communications. However, the single-side coverage and double-fading attenuation faced by conventional RISs largely restrict their applications. To address this issue, we propose a novel concept of multi-functional RIS (MF-RIS), which provides reflection, transmission, and amplification simultaneously for the incident signal. With the aim of enhancing the performance of a non-orthogonal multiple-access (NOMA) downlink multiuser network, we deploy an MF-RIS to maximize the sum rate by jointly optimizing the active beamforming and MF-RIS coefficients. Then, an alternating optimization algorithm is proposed to solve the formulated non-convex problem by exploiting successive convex approximation and penalty-based method. Numerical results show that the proposed MF-RIS outperforms conventional RISs under different settings.
Exploring QSAR Models for Activity-Cliff Prediction
Venue: arXiv cs.LG 2023
Year: 2023

Pairs of similar compounds that only differ by a small structural modification but exhibit a large difference in their binding affinity for a given target are known as activity cliffs (ACs). It has been hypothesised that quantitative structure-activity relationship (QSAR) models struggle to predict ACs and that ACs thus form a major source of prediction error. However, a study to explore the AC-prediction power of modern QSAR methods and its relationship to general QSAR-prediction performance is lacking. We systematically construct nine distinct QSAR models by combining three molecular representation methods (extended-connectivity fingerprints, physicochemical-descriptor vectors and graph isomorphism networks) with three regression techniques (random forests, k-nearest neighbours and multilayer perceptrons); we then use each resulting model to classify pairs of similar compounds as ACs or non-ACs and to predict the activities of individual molecules in three case studies: dopamine receptor D2, factor Xa, and SARS-CoV-2 main protease. We observe low AC-sensitivity amongst the tested models when the activities of both compounds are unknown, but a substantial increase in AC-sensitivity when the actual activity of one of the compounds is given. Graph isomorphism features are found to be competitive with or superior to classical molecular representations for AC-classification and can thus be employed as baseline AC-prediction models or simple compound-optimisation tools. For general QSAR-prediction, however, extended-connectivity fingerprints still consistently deliver the best performance. Our results provide strong support for the hypothesis that indeed QSAR methods frequently fail to predict ACs. We propose twin-network training for deep learning models as a potential future pathway to increase AC-sensitivity and thus overall QSAR performance.
Round-Robin Beyond Additive Agents: Existence and Fairness of Approximate Equilibria
Venue: arXiv cs.GT 2023
Year: 2023

Fair allocation of indivisible goods has attracted extensive attention over the last two decades, yielding numerous elegant algorithmic results and producing challenging open questions. The problem becomes much harder in the presence of strategic agents. Ideally, one would want to design truthful mechanisms that produce allocations with fairness guarantees. However, in the standard setting without monetary transfers, it is generally impossible to have truthful mechanisms that provide non-trivial fairness guarantees. Recently, Amanatidis et al. [2021] suggested the study of mechanisms that produce fair allocations in their equilibria. Specifically, when the agents have additive valuation functions, the simple Round-Robin algorithm always has pure Nash equilibria and the corresponding allocations are envy-free up to one good (EF1) with respect to the agents' true valuation functions. Following this agenda, we show that this outstanding property of the Round-Robin mechanism extends much beyond the above default assumption of additivity. In particular, we prove that for agents with cancelable valuation functions (a natural class that contains, e.g., additive and budget-additive functions), this simple mechanism always has equilibria and even its approximate equilibria correspond to approximately EF1 allocations with respect to the agents' true valuation functions. Further, we show that the approximate EF1 fairness of approximate equilibria surprisingly holds for the important class of submodular valuation functions as well, even though exact equilibria fail to exist!
InstructTTS: Modelling Expressive TTS in Discrete Latent Space with Natural Language Style Prompt
Venue: arXiv cs.SD 2023
Year: 2023

Expressive text-to-speech (TTS) aims to synthesize different speaking style speech according to human's demands. Nowadays, there are two common ways to control speaking styles: (1) Pre-defining a group of speaking style and using categorical index to denote different speaking style. However, there are limitations in the diversity of expressiveness, as these models can only generate the pre-defined styles. (2) Using reference speech as style input, which results in a problem that the extracted style information is not intuitive or interpretable. In this study, we attempt to use natural language as style prompt to control the styles in the synthetic speech, e.g., "Sigh tone in full of sad mood with some helpless feeling". Considering that there is no existing TTS corpus which is proper to benchmark this novel task, we first construct a speech corpus, whose speech samples are annotated with not only content transcriptions but also style descriptions in natural language. Then we propose an expressive TTS model, named as InstructTTS, which is novel in the sense of following aspects: (1) We fully take the advantage of self-supervised learning and cross-modal metric learning, and propose a novel three-stage training procedure to obtain a robust sentence embedding model, which can effectively capture semantic information from the style prompts and control the speaking style in the generated speech. (2) We propose to model acoustic features in discrete latent space and train a novel discrete diffusion probabilistic model to generate vector-quantized (VQ) acoustic tokens rather than the commonly-used mel spectrogram. (3) We jointly apply mutual information (MI) estimation and minimization during acoustic model training to minimize style-speaker and style-content MI, avoiding possible content and speaker information leakage from the style prompt.
Are Defenses for Graph Neural Networks Robust?
Venue: arXiv cs.LG 2023
Year: 2023

A cursory reading of the literature suggests that we have made a lot of progress in designing effective adversarial defenses for Graph Neural Networks (GNNs). Yet, the standard methodology has a serious flaw - virtually all of the defenses are evaluated against non-adaptive attacks leading to overly optimistic robustness estimates. We perform a thorough robustness analysis of 7 of the most popular defenses spanning the entire spectrum of strategies, i.e., aimed at improving the graph, the architecture, or the training. The results are sobering - most defenses show no or only marginal improvement compared to an undefended baseline. We advocate using custom adaptive attacks as a gold standard and we outline the lessons we learned from successfully designing such attacks. Moreover, our diverse collection of perturbed graphs forms a (black-box) unit test offering a first glance at a model's robustness.
Preserving local densities in low-dimensional embeddings
Venue: arXiv cs.LG 2023
Year: 2023

Low-dimensional embeddings and visualizations are an indispensable tool for analysis of high-dimensional data. State-of-the-art methods, such as tSNE and UMAP, excel in unveiling local structures hidden in high-dimensional data and are therefore routinely applied in standard analysis pipelines in biology. We show, however, that these methods fail to reconstruct local properties, such as relative differences in densities (Fig. 1) and that apparent differences in cluster size can arise from computational artifact caused by differing sample sizes (Fig. 2). Providing a theoretical analysis of this issue, we then suggest dtSNE, which approximately conserves local densities. In an extensive study on synthetic benchmark and real world data comparing against five state-of-the-art methods, we empirically show that dtSNE provides similar global reconstruction, but yields much more accurate depictions of local distances and relative densities.
A Bayesian Generative Adversarial Network (GAN) to Generate Synthetic Time-Series Data, Application in Combined Sewer Flow Prediction
Venue: arXiv cs.LG 2023
Year: 2023

Despite various breakthroughs in machine learning and data analysis techniques for improving smart operation and management of urban water infrastructures, some key limitations obstruct this progress. Among these shortcomings, the absence of freely available data due to data privacy or high costs of data gathering and the nonexistence of adequate rare or extreme events in the available data plays a crucial role. Here, Generative Adversarial Networks (GANs) can help overcome these challenges. In machine learning, generative models are a class of methods capable of learning data distribution to generate artificial data. In this study, we developed a GAN model to generate synthetic time series to balance our limited recorded time series data and improve the accuracy of a data-driven model for combined sewer flow prediction. We considered the sewer system of a small town in Germany as the test case. Precipitation and inflow to the storage tanks are used for the Data-Driven model development. The aim is to predict the flow using precipitation data and examine the impact of data augmentation using synthetic data in model performance. Results show that GAN can successfully generate synthetic time series from real data distribution, which helps more accurate peak flow prediction. However, the model without data augmentation works better for dry weather prediction. Therefore, an ensemble model is suggested to combine the advantages of both models.
Dynamic Scheduled Sampling with Imitation Loss for Neural Text Generation
Venue: arXiv cs.CL 2023
Year: 2023

State-of-the-art neural text generation models are typically trained to maximize the likelihood of each token in the ground-truth sequence conditioned on the previous target tokens. However, during inference, the model needs to make a prediction conditioned on the tokens generated by itself. This train-test discrepancy is referred to as exposure bias. Scheduled sampling is a curriculum learning strategy that gradually exposes the model to its own predictions during training to mitigate this bias. Most of the proposed approaches design a scheduler based on training steps, which generally requires careful tuning depending on the training setup. In this work, we introduce Dynamic Scheduled Sampling with Imitation Loss (DySI), which maintains the schedule based solely on the training time accuracy, while enhancing the curriculum learning by introducing an imitation loss, which attempts to make the behavior of the decoder indistinguishable from the behavior of a teacher-forced decoder. DySI is universally applicable across training setups with minimal tuning. Extensive experiments and analysis show that DySI not only achieves notable improvements on standard machine translation benchmarks, but also significantly improves the robustness of other text generation models.
The Touché23-ValueEval Dataset for Identifying Human Values behind Arguments
Venue: arXiv cs.CL 2023
Year: 2023

We present the Touché23-ValueEval Dataset for Identifying Human Values behind Arguments. To investigate approaches for the automated detection of human values behind arguments, we collected 9324 arguments from 6 diverse sources, covering religious texts, political discussions, free-text arguments, newspaper editorials, and online democracy platforms. Each argument was annotated by 3 crowdworkers for 54 values. The Touché23-ValueEval dataset extends the Webis-ArgValues-22. In comparison to the previous dataset, the effectiveness of a 1-Baseline decreases, but that of an out-of-the-box BERT model increases. Therefore, though the classification difficulty increased as per the label distribution, the larger dataset allows for training better models.
Age of Information With Non-Poisson Updates in Cache-Updating Networks
Venue: arXiv cs.IT 2023
Year: 2023

We study age of information in multi-hop multi-cast cache-enabled networks where the inter-update times on the links are not necessarily exponentially distributed. We focus on the set of non-arithmetic distributions for inter-update times, which includes continuous probability distributions as a subset. We first characterize instantaneous age of information at each node for arbitrary networks. We then explicate the recursive equations for instantaneous age of information in multi-hop networks and derive closed form expressions for expected age of information at an end-user. We show that expected age in multi-hop networks exhibits an additive structure. Further, we show that the expected age at each user is directly proportional to the variance of inter-update times at all links between a user and the source. We expect the analysis in this work to help alleviate the over-dependence on Poisson processes for future work in age of information.
Interpreting Robustness Proofs of Deep Neural Networks
Venue: arXiv cs.LG 2023
Year: 2023

In recent years numerous methods have been developed to formally verify the robustness of deep neural networks (DNNs). Though the proposed techniques are effective in providing mathematical guarantees about the DNNs behavior, it is not clear whether the proofs generated by these methods are human-interpretable. In this paper, we bridge this gap by developing new concepts, algorithms, and representations to generate human understandable interpretations of the proofs. Leveraging the proposed method, we show that the robustness proofs of standard DNNs rely on spurious input features, while the proofs of DNNs trained to be provably robust filter out even the semantically meaningful features. The proofs for the DNNs combining adversarial and provably robust training are the most effective at selectively filtering out spurious features as well as relying on human-understandable input features.
Zero-Memory Graph Exploration with Unknown Inports
Venue: arXiv cs.DS 2023
Year: 2023

We study a very restrictive graph exploration problem. In our model, an agent without persistent memory is placed on a vertex of a graph and only sees the adjacent vertices. The goal is to visit every vertex of the graph, return to the start vertex, and terminate. The agent does not know through which edge it entered a vertex. The agent may color the current vertex and can see the colors of the neighboring vertices in an arbitrary order. The agent may not recolor a vertex. We investigate the number of colors necessary and sufficient to explore all graphs. We prove that n-1 colors are necessary and sufficient for exploration in general, 3 colors are necessary and sufficient if only trees are to be explored, and min(2k-3,n-1) colors are necessary and min(2k-1,n-1) colors are sufficient on graphs of size n and circumference $k$, where the circumference is the length of a longest cycle. This only holds if an algorithm has to explore all graphs and not merely certain graph classes. We give an example for a graph class where each graph can be explored with 4 colors, although the graphs have maximal circumference. Moreover, we prove that recoloring vertices is very powerful by designing an algorithm with recoloring that uses only 7 colors and explores all graphs.
Harmonizing DevOps Taxonomies -- Theory Operationalization and Testing
Venue: arXiv cs.SE 2023
Year: 2023

DevOps responds the growing need of companies to streamline the software development process and, thus, has experienced widespread adoption in the past years. However, the successful adoption of DevOps requires companies to address significant cultural and organizational changes. Understanding the organizational structure and characteristics of teams adopting DevOps is key, and comprehending the existing theories and representations of team taxonomies is critical to guide companies in a more systematic and structured DevOps adoption process. As there was no unified theory to explain the different topologies of DevOps teams, in previous work, we built a theory to represent the organizational structure and characteristics of teams adopting DevOps, harmonizing the existing knowledge. In this paper, we expand the theory-building in the context of DevOps Team Taxonomies. Our main contributions are presenting and executing the Operationalization and Testing phases for a continuously evolving theory on DevOps team structures. We operationalize the constructs and propositions that make up our theory to generate empirically testable hypotheses to confirm or disconfirm the theory. Specifically, we focus on the research operation side of the theory-research cycle: identifying propositions, deriving empirical indicators from constructs, establishing testable hypotheses, and testing them. We performed the operationalization and testing of the DevOps Team Taxonomies Theory, which resulted in an empirically verified and trustworthy theory. Our theory has 28 propositions representing this model that map properties to the constructs of our theory. The operationalization generated 34 testable hypotheses, and we thoroughly tested 11 of them. The testing has proved the effectiveness of the theoretical framework, while the operationalization of the constructs has enhanced the initial framework.
Interaction and Decision Making-aware Motion Planning using Branch Model Predictive Control
Venue: arXiv cs.RO 2023
Year: 2023

Motion planning for autonomous vehicles sharing the road with human drivers remains challenging. The difficulty arises from three challenging aspects: human drivers are 1) multi-modal, 2) interacting with the autonomous vehicle, and 3) actively making decisions based on the current state of the traffic scene. We propose a motion planning framework based on Branch Model Predictive Control to deal with these challenges. The multi-modality is addressed by considering multiple future outcomes associated with different decisions taken by the human driver. The interactive nature of humans is considered by modeling them as reactive agents impacted by the actions of the autonomous vehicle. Finally, we consider a model developed in human neuroscience studies as a possible way of encoding the decision making process of human drivers. We present simulation results in various scenarios, showing the advantages of the proposed method and its ability to plan assertive maneuvers that convey intent to humans.
Randomized Control of Wireless Temporal Coherence via Reconfigurable Intelligent Surface
Venue: arXiv cs.IT 2023
Year: 2023

A reconfigurable intelligent surface (RIS) can shape the wireless propagation channel by inducing controlled phase shift variations to the impinging signals. Multiple works have considered the use of RIS by time-varying configurations of reflection coefficients. In this work we use the RIS to control the channel coherence time and introduce a generalized discrete-time-varying channel model for RIS-aided systems. We characterize the temporal variation of channel correlation by assuming that a configuration of RIS' elements changes at every time step. The analysis converges to a randomized framework to control the channel coherence time by setting the number of RIS' elements and their phase shifts. The main result is a framework for a flexible block-fading model, where the number of samples within a coherence block can be dynamically adapted.
OrthoReg: Improving Graph-regularized MLPs via Orthogonality Regularization
Venue: arXiv cs.LG 2023
Year: 2023

Graph Neural Networks (GNNs) are currently dominating in modeling graph-structure data, while their high reliance on graph structure for inference significantly impedes them from widespread applications. By contrast, Graph-regularized MLPs (GR-MLPs) implicitly inject the graph structure information into model weights, while their performance can hardly match that of GNNs in most tasks. This motivates us to study the causes of the limited performance of GR-MLPs. In this paper, we first demonstrate that node embeddings learned from conventional GR-MLPs suffer from dimensional collapse, a phenomenon in which the largest a few eigenvalues dominate the embedding space, through empirical observations and theoretical analysis. As a result, the expressive power of the learned node representations is constrained. We further propose OrthoReg, a novel GR-MLP model to mitigate the dimensional collapse issue. Through a soft regularization loss on the correlation matrix of node embeddings, OrthoReg explicitly encourages orthogonal node representations and thus can naturally avoid dimensionally collapsed representations. Experiments on traditional transductive semi-supervised classification tasks and inductive node classification for cold-start scenarios demonstrate its effectiveness and superiority.
Real Estate Property Valuation using Self-Supervised Vision Transformers
Venue: arXiv cs.CV 2023
Year: 2023

The use of Artificial Intelligence (AI) in the real estate market has been growing in recent years. In this paper, we propose a new method for property valuation that utilizes self-supervised vision transformers, a recent breakthrough in computer vision and deep learning. Our proposed algorithm uses a combination of machine learning, computer vision and hedonic pricing models trained on real estate data to estimate the value of a given property. We collected and pre-processed a data set of real estate properties in the city of Boulder, Colorado and used it to train, validate and test our algorithm. Our data set consisted of qualitative images (including house interiors, exteriors, and street views) as well as quantitative features such as the number of bedrooms, bathrooms, square footage, lot square footage, property age, crime rates, and proximity to amenities. We evaluated the performance of our model using metrics such as Root Mean Squared Error (RMSE). Our findings indicate that these techniques are able to accurately predict the value of properties, with a low RMSE. The proposed algorithm outperforms traditional appraisal methods that do not leverage property images and has the potential to be used in real-world applications.