Reviewerly/exHarmony huggingface dataset:
Mava: a research library for distributed multi-agent reinforcement learning in JAX

Multi-agent reinforcement learning (MARL) research is inherently computationally expensive and it is often difficult to obtain a sufficient number of experiment samples to test hypotheses and make robust statistical claims. Furthermore, MARL algorithms are typically complex in their design and can be tricky to implement correctly. These aspects of MARL present a difficult challenge when it comes to creating useful software for advanced research. Our criteria for such software is that it should be simple enough to use to implement new ideas quickly, while at the same time be scalable and fast enough to test those ideas in a reasonable amount of time. In this preliminary technical report, we introduce Mava, a research library for MARL written purely in JAX, that aims to fulfill these criteria. We discuss the design and core features of Mava, and demonstrate its use and performance across a variety of environments. In particular, we show Mava's substantial speed advantage, with improvements of 10-100x compared to other popular MARL frameworks, while maintaining strong performance. This allows for researchers to test ideas in a few minutes instead of several hours. Finally, Mava forms part of an ecosystem of libraries that seamlessly integrate with each other to help facilitate advanced research in MARL. We hope Mava will benefit the community and help drive scientifically sound and statistically robust research in the field. The open-source repository for Mava is available at https://github.com/instadeepai/Mava.
Density Matters: Improved Core-set for Active Domain Adaptive Segmentation

Active domain adaptation has emerged as a solution to balance the expensive annotation cost and the performance of trained models in semantic segmentation. However, existing works usually ignore the correlation between selected samples and its local context in feature space, which leads to inferior usage of annotation budgets. In this work, we revisit the theoretical bound of the classical Core-set method and identify that the performance is closely related to the local sample distribution around selected samples. To estimate the density of local samples efficiently, we introduce a local proxy estimator with Dynamic Masked Convolution and develop a Density-aware Greedy algorithm to optimize the bound. Extensive experiments demonstrate the superiority of our approach. Moreover, with very few labels, our scheme achieves comparable performance to the fully supervised counterpart.
Generic Unsupervised Optimization for a Latent Variable Model With Exponential Family Observables

Latent variable models (LVMs) represent observed variables by parameterized functions of latent variables. Prominent examples of LVMs for unsupervised learning are probabilistic PCA or probabilistic SC which both assume a weighted linear summation of the latents to determine the mean of a Gaussian distribution for the observables. In many cases, however, observables do not follow a Gaussian distribution. For unsupervised learning, LVMs which assume specific non-Gaussian observables have therefore been considered. Already for specific choices of distributions, parameter optimization is challenging and only a few previous contributions considered LVMs with more generally defined observable distributions. Here, we consider LVMs that are defined for a range of different distributions, i.e., observables can follow any (regular) distribution of the exponential family. The novel class of LVMs presented is defined for binary latents, and it uses maximization in place of summation to link the latents to observables. To derive an optimization procedure, we follow an EM approach for maximum likelihood parameter estimation. We show that a set of very concise parameter update equations can be derived which feature the same functional form for all exponential family distributions. The derived generic optimization can consequently be applied to different types of metric data as well as to different types of discrete data. Also, the derived optimization equations can be combined with a recently suggested variational acceleration which is likewise generically applicable to the LVMs considered here. So, the combination maintains generic and direct applicability of the derived optimization procedure, but, crucially, enables efficient scalability. We numerically verify our analytical results and discuss some potential applications such as learning of variance structure, noise type estimation and denoising.
Self-Evaluation Improves Selective Generation in Large Language Models

Safe deployment of large language models (LLMs) may benefit from a reliable method for assessing their generated content to determine when to abstain or to selectively generate. While likelihood-based metrics such as perplexity are widely employed, recent research has demonstrated the limitations of using sequence-level probability estimates given by LLMs as reliable indicators of generation quality. Conversely, LLMs have demonstrated strong calibration at the token level, particularly when it comes to choosing correct answers in multiple-choice questions or evaluating true/false statements. In this work, we reformulate open-ended generation tasks into token-level prediction tasks, and leverage LLMs' superior calibration at the token level. We instruct an LLM to self-evaluate its answers, employing either a multi-way comparison or a point-wise evaluation approach, with the option to include a ``None of the above'' option to express the model's uncertainty explicitly. We benchmark a range of scoring methods based on self-evaluation and evaluate their performance in selective generation using TruthfulQA and TL;DR. Through experiments with PaLM-2 and GPT-3, we demonstrate that self-evaluation based scores not only improve accuracy, but also correlate better with the overall quality of generated content.
Distributional Latent Variable Models with an Application in Active Cognitive Testing

Cognitive modeling commonly relies on asking participants to complete a battery of varied tests in order to estimate attention, working memory, and other latent variables. In many cases, these tests result in highly variable observation models. A near-ubiquitous approach is to repeat many observations for each test, resulting in a distribution over the outcomes from each test given to each subject. In this paper, we explore the usage of latent variable modeling to enable learning across many correlated variables simultaneously. We extend latent variable models (LVMs) to the setting where observed data for each subject are a series of observations from many different distributions, rather than simple vectors to be reconstructed. By embedding test battery results for individuals in a latent space that is trained jointly across a population, we are able to leverage correlations both between tests for a single participant and between multiple participants. We then propose an active learning framework that leverages this model to conduct more efficient cognitive test batteries. We validate our approach by demonstrating with real-time data acquisition that it performs comparably to conventional methods in making item-level predictions with fewer test items.
Unbiasing Enhanced Sampling on a High-dimensional Free Energy Surface with Deep Generative Model

Biased enhanced sampling methods utilizing collective variables (CVs) are powerful tools for sampling conformational ensembles. Due to high intrinsic dimensions, efficiently generating conformational ensembles for complex systems requires enhanced sampling on high-dimensional free energy surfaces. While methods like temperature-accelerated molecular dynamics (TAMD) can adopt many CVs in a simulation, unbiasing the simulation requires accurate modeling of a high-dimensional CV probability distribution, which is challenging for traditional density estimation techniques. Here we propose an unbiasing method based on the score-based diffusion model, a deep generative learning method that excels in density estimation across complex data landscapes. We test the score-based diffusion unbiasing method on TAMD simulations. The results demonstrate that this unbiasing approach significantly outperforms traditional unbiasing methods, and can generate accurate unbiased conformational ensembles for simulations with a number of CVs higher than usual ranges.
Joint Alignment of Multivariate Quasi-Periodic Functional Data Using Deep Learning

The joint alignment of multivariate functional data plays an important role in various fields such as signal processing, neuroscience and medicine, including the statistical analysis of data from wearable devices. Traditional methods often ignore the phase variability and instead focus on the variability in the observed amplitude. We present a novel method for joint alignment of multivariate quasi-periodic functions using deep neural networks, decomposing, but retaining all the information in the data by preserving both phase and amplitude variability. Our proposed neural network uses a special activation of the output that builds on the unit simplex transformation, and we utilize a loss function based on the Fisher-Rao metric to train our model. Furthermore, our method is unsupervised and can provide an optimal common template function as well as subject-specific templates. We demonstrate our method on two simulated datasets and one real example, comprising data from 12-lead 10s electrocardiogram recordings.
Utilizing Novel Quantum Counters for Grover's Algorithm to Solve the Dominating Set Problem

Grover's algorithm is a well-known unstructured quantum search algorithm run on quantum computers. It constructs an oracle and calls the oracle O($\sqrt N$) times to locate specific data out of N unsorted data. This represents a quadratic speedup compared to the classical unstructured data sequential search algorithm, which requires to call the oracle O(N) times. We are currently in the noisy intermediate-scale quantum (NISQ) era in which quantum computers have a limited number of qubits, short decoherence time, and low gate fidelity. It is thus desirable to design quantum components with three good properties: (i) a reduced number of qubits, (ii) shorter quantum depth, and (iii) fewer gates. This paper utilizes novel quantum counters with the above-mentioned three good properties to construct the oracle of Grover's algorithm to efficiently solve the dominating set problem (DSP), as defined below. For a given graph G=(V, E), a dominating set (DS) D is a subset of the vertex set V, such that every vertex is in D or has an adjacent vertex in D. The DSP is to decide for a given graph G and an integer k whether there exists a DS with size k. Algorithms solving the DSP have many applications. For example, they can be applied to check whether k routers suffice to connect all computers in a computer network. The DSP is an NP-complete problem, indicating that no classical algorithm exists to solve the DSP with polynomial time complexity in the worst case. Therefore, using quantum algorithms, such as Grover's algorithm, to exploit the potent computational capabilities of quantum computers to solve the DSP is highly promising. We execute the whole quantum circuit of Grover's algorithm using novel quantum counters through the IBM Quantum Lab service to validate that the circuit can solve the DSP efficiently and correctly.
Two-sample KS test with approxQuantile in Apache Spark

The classical two-sample test of Kolmogorov-Smirnov (KS) is widely used to test whether empirical samples come from the same distribution. Even though most statistical packages provide an implementation, carrying out the test in big data settings can be challenging because it requires a full sort of the data. The popular Apache Spark system for big data processing provides a 1-sample KS test, but not the 2-sample version. Moreover, recent Spark versions provide the approxQuantile method for querying $\epsilon$-approximate quantiles. We build on approxQuantile to propose a variation of the classical Kolmogorov-Smirnov two-sample test that constructs approximate cumulative distribution functions (CDF) from $\epsilon$-approximate quantiles. We derive error bounds of the approximate CDF and show how to use this information to carry out KS tests. Psuedocode for the approach requires 15 executable lines. A Python implementation appears in the appendix.
PBES: PCA Based Exemplar Sampling Algorithm for Continual Learning

We propose a novel exemplar selection approach based on Principal Component Analysis (PCA) and median sampling, and a neural network training regime in the setting of class-incremental learning. This approach avoids the pitfalls due to outliers in the data and is both simple to implement and use across various incremental machine learning models. It also has independent usage as a sampling algorithm. We achieve better performance compared to state-of-the-art methods.
Robust Estimation of Nonlinear Properties of Quantum Processes

Accurate and robust estimation of quantum process properties is crucial for quantum information processing and quantum many-body physics. Combining classical shadow tomography and randomized benchmarking, Helsen et al. introduced a method to estimate the linear properties of quantum processes. In this work, we focus on the estimation protocols of nonlinear process properties that are robust to state preparation and measurement errors. We introduce two protocols, both utilizing random gate sequences but employing different post-processing methods, which make them suitable for measuring different nonlinear properties. The first protocol offers a robust and sound method to estimate the out-of-time-ordered correlation, as demonstrated numerically in an Ising model. The second protocol estimates unitarity, effectively characterizing the incoherence of quantum channels. We expect the two protocols to be useful tools for exploring quantum many-body physics and characterizing quantum processes.
CETN: Contrast-enhanced Through Network for CTR Prediction

Click-through rate (CTR) Prediction is a crucial task in personalized information retrievals, such as industrial recommender systems, online advertising, and web search. Most existing CTR Prediction models utilize explicit feature interactions to overcome the performance bottleneck of implicit feature interactions. Hence, deep CTR models based on parallel structures (e.g., DCN, FinalMLP, xDeepFM) have been proposed to obtain joint information from different semantic spaces. However, these parallel subcomponents lack effective supervisory signals, making it challenging to efficiently capture valuable multi-views feature interaction information in different semantic spaces. To address this issue, we propose a simple yet effective novel CTR model: Contrast-enhanced Through Network for CTR (CETN), so as to ensure the diversity and homogeneity of feature interaction information. Specifically, CETN employs product-based feature interactions and the augmentation (perturbation) concept from contrastive learning to segment different semantic spaces, each with distinct activation functions. This improves diversity in the feature interaction information captured by the model. Additionally, we introduce self-supervised signals and through connection within each semantic space to ensure the homogeneity of the captured feature interaction information. The experiments and research conducted on four real datasets demonstrate that our model consistently outperforms twenty baseline models in terms of AUC and Logloss.
SLS4D: Sparse Latent Space for 4D Novel View Synthesis

Neural radiance field (NeRF) has achieved great success in novel view synthesis and 3D representation for static scenarios. Existing dynamic NeRFs usually exploit a locally dense grid to fit the deformation field; however, they fail to capture the global dynamics and concomitantly yield models of heavy parameters. We observe that the 4D space is inherently sparse. Firstly, the deformation field is sparse in spatial but dense in temporal due to the continuity of of motion. Secondly, the radiance field is only valid on the surface of the underlying scene, usually occupying a small fraction of the whole space. We thus propose to represent the 4D scene using a learnable sparse latent space, a.k.a. SLS4D. Specifically, SLS4D first uses dense learnable time slot features to depict the temporal space, from which the deformation field is fitted with linear multi-layer perceptions (MLP) to predict the displacement of a 3D position at any time. It then learns the spatial features of a 3D position using another sparse latent space. This is achieved by learning the adaptive weights of each latent code with the attention mechanism. Extensive experiments demonstrate the effectiveness of our SLS4D: it achieves the best 4D novel view synthesis using only about $6\%$ parameters of the most recent work.
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation

The ability of quantum computers to overcome the exponential memory scaling of many-body problems is expected to transform quantum chemistry. Quantum algorithms require accurate representations of electronic states on a quantum device, but current approximations struggle to combine chemical accuracy and gate-efficiency while preserving physical symmetries, and rely on measurement-intensive adaptive methods that tailor the wave function ansatz to each molecule. In this contribution, we present a symmetry-preserving and gate-efficient ansatz that provides chemically accurate molecular energies with a well-defined circuit structure. Our approach exploits local qubit connectivity, orbital optimisation, and connections with generalised valence bond theory to maximise the accuracy that is obtained with shallow quantum circuits. Numerical simulations for molecules with weak and strong electron correlation, including benzene, water, and the singlet-triplet gap in tetramethyleneethane, demonstrate that chemically accurate energies are achieved with as much as 84% fewer two-qubit gates compared to the current state-of-the-art. These advances pave the way for the next generation of electronic structure approximations for future quantum computing.
Beyond Over-Protection: A Targeted Approach to Spectre Mitigation and Performance Optimization

Since the advent of Spectre attacks, researchers and practitioners have developed a range of hardware and software measures to counter transient execution attacks. A prime example of such mitigation is speculative load hardening in LLVM, which protects against leaks by tracking the speculation state and masking values during misspeculation. LLVM relies on static analysis to harden programs using slh that often results in over-protection, which incurs performance overhead. We extended an existing side-channel model validation framework, Scam-V, to check the vulnerability of programs to Spectre-PHT attacks and optimize the protection of programs using the slh approach. We illustrate the efficacy of Scam-V by first demonstrating that it can automatically identify Spectre vulnerabilities in real programs, e.g., fragments of crypto-libraries. We then develop an optimization mechanism that validates the necessity of slh hardening w.r.t. the target platform. Our experiments showed that hardening introduced by LLVM in most cases could be significantly improved when the underlying microarchitecture properties are considered.
Attention-Based VR Facial Animation with Visual Mouth Camera Guidance for Immersive Telepresence Avatars

Facial animation in virtual reality environments is essential for applications that necessitate clear visibility of the user's face and the ability to convey emotional signals. In our scenario, we animate the face of an operator who controls a robotic Avatar system. The use of facial animation is particularly valuable when the perception of interacting with a specific individual, rather than just a robot, is intended. Purely keypoint-driven animation approaches struggle with the complexity of facial movements. We present a hybrid method that uses both keypoints and direct visual guidance from a mouth camera. Our method generalizes to unseen operators and requires only a quick enrolment step with capture of two short videos. Multiple source images are selected with the intention to cover different facial expressions. Given a mouth camera frame from the HMD, we dynamically construct the target keypoints and apply an attention mechanism to determine the importance of each source image. To resolve keypoint ambiguities and animate a broader range of mouth expressions, we propose to inject visual mouth camera information into the latent space. We enable training on large-scale speaking head datasets by simulating the mouth camera input with its perspective differences and facial deformations. Our method outperforms a baseline in quality, capability, and temporal consistency. In addition, we highlight how the facial animation contributed to our victory at the ANA Avatar XPRIZE Finals.
Part Representation Learning with Teacher-Student Decoder for Occluded Person Re-identification

Occluded person re-identification (ReID) is a very challenging task due to the occlusion disturbance and incomplete target information. Leveraging external cues such as human pose or parsing to locate and align part features has been proven to be very effective in occluded person ReID. Meanwhile, recent Transformer structures have a strong ability of long-range modeling. Considering the above facts, we propose a Teacher-Student Decoder (TSD) framework for occluded person ReID, which utilizes the Transformer decoder with the help of human parsing. More specifically, our proposed TSD consists of a Parsing-aware Teacher Decoder (PTD) and a Standard Student Decoder (SSD). PTD employs human parsing cues to restrict Transformer's attention and imparts this information to SSD through feature distillation. Thereby, SSD can learn from PTD to aggregate information of body parts automatically. Moreover, a mask generator is designed to provide discriminative regions for better ReID. In addition, existing occluded person ReID benchmarks utilize occluded samples as queries, which will amplify the role of alleviating occlusion interference and underestimate the impact of the feature absence issue. Contrastively, we propose a new benchmark with non-occluded queries, serving as a complement to the existing benchmark. Extensive experiments demonstrate that our proposed method is superior and the new benchmark is essential. The source codes are available at https://github.com/hh23333/TSD.
Disentangling Linear Mode-Connectivity

Linear mode-connectivity (LMC) (or lack thereof) is one of the intriguing characteristics of neural network loss landscapes. While empirically well established, it unfortunately still lacks a proper theoretical understanding. Even worse, although empirical data points are abound, a systematic study of when networks exhibit LMC is largely missing in the literature. In this work we aim to close this gap. We explore how LMC is affected by three factors: (1) architecture (sparsity, weight-sharing), (2) training strategy (optimization setup) as well as (3) the underlying dataset. We place particular emphasis on minimal but non-trivial settings, removing as much unnecessary complexity as possible. We believe that our insights can guide future theoretical works on uncovering the inner workings of LMC.
The Spectrum of Asymptotic Cayley Trees

We characterize the spectrum of the transition matrix for simple random walk on graphs consisting of a finite graph with a finite number of infinite Cayley trees attached. We show that there is a continuous spectrum identical to that for a Cayley tree and, in general, a non-empty pure point spectrum. We apply our results to studying continuous time quantum walk on these graphs. If the pure point spectrum is nonempty the walk is in general confined with a nonzero probability.