Anqi Wu

Ari Blau, Christoph Gebhardt, Andres Bendesky et al.

Multi-animal pose estimation is essential for studying animals' social behaviors in neuroscience and neuroethology. Advanced approaches have been proposed to support multi-animal estimation and achieve state-of-the-art performance. However, these models rarely exploit unlabeled data during training even though real world applications have exponentially more unlabeled frames than labeled frames. Manually adding dense annotations for a large number of images or videos is costly and labor-intensive, especially for multiple instances. Given these deficiencies, we propose a novel semi-supervised architecture for multi-animal pose estimation, leveraging the abundant structures pervasive in unlabeled frames in behavior videos to enhance training, which is critical for sparsely-labeled problems. The resulting algorithm will provide superior multi-animal pose estimation results on three animal experiments compared to the state-of-the-art baseline and exhibits more predictive power in sparsely-labeled data regimes.

Han Yi Chiu, Liang Zhao, Anqi Wu

The decoding of brain neural networks has been an intriguing topic in neuroscience for a well-rounded understanding of different types of brain disorders and cognitive stimuli. Integrating different types of connectivity, e.g., Functional Connectivity (FC) and Structural Connectivity (SC), from multi-modal imaging techniques can take their complementary information into account and therefore have the potential to get better decoding capability. However, traditional approaches for integrating FC and SC overlook the dynamical variations, which stand a great chance to over-generalize the brain neural network. In this paper, we propose a Joint kernel Graph Attention Network (JGAT), which is a new multi-modal temporal graph attention network framework. It integrates the data from functional Magnetic Resonance Images (fMRI) and Diffusion Weighted Imaging (DWI) while preserving the dynamic information at the same time. We conduct brain-decoding tasks with our JGAT on four independent datasets: three of 7T fMRI datasets from the Human Connectome Project (HCP) and one from animal neural recordings. Furthermore, with Attention Scores (AS) and Frame Scores (FS) computed and learned from the model, we can locate several informative temporal segments and build meaningful dynamical pathways along the temporal domain for the HCP datasets. The URL to the code of JGAT model: https://github.com/BRAINML-GT/JGAT.

Chengrui Li, Anqi Wu

The state-of-the-art dimensionality reduction approaches largely rely on complicated optimization procedures. On the other hand, closed-form approaches requiring merely eigen-decomposition do not have enough sophistication and nonlinearity. In this paper, we propose a novel nonlinear dimensionality reduction method -- Inverse Kernel Decomposition (IKD) -- based on an eigen-decomposition of the sample covariance matrix of data. The method is inspired by Gaussian process latent variable models (GPLVMs) and has comparable performance with GPLVMs. To deal with very noisy data with weak correlations, we propose two solutions -- blockwise and geodesic -- to make use of locally correlated data points and provide better and numerically more stable latent estimations. We use synthetic datasets and four real-world datasets to show that IKD is a better dimensionality reduction method than other eigen-decomposition-based methods, and achieves comparable performance against optimization-based methods with faster running speeds. Open-source IKD implementation in Python can be accessed at this \url{https://github.com/JerrySoybean/ikd}.

Yule Wang, Zijing Wu, Chengrui Li et al.

In the field of behavior-related brain computation, it is necessary to align raw neural signals against the drastic domain shift among them. A foundational framework within neuroscience research posits that trial-based neural population activities rely on low-dimensional latent dynamics, thus focusing on the latter greatly facilitates the alignment procedure. Despite this field's progress, existing methods ignore the intrinsic spatio-temporal structure during the alignment phase. Hence, their solutions usually lead to poor quality in latent dynamics structures and overall performance. To tackle this problem, we propose an alignment method ERDiff, which leverages the expressivity of the diffusion model to preserve the spatio-temporal structure of latent dynamics. Specifically, the latent dynamics structures of the source domain are first extracted by a diffusion model. Then, under the guidance of this diffusion model, such structures are well-recovered through a maximum likelihood alignment procedure in the target domain. We first demonstrate the effectiveness of our proposed method on a synthetic dataset. Then, when applied to neural recordings from the non-human primate motor cortex, under both cross-day and inter-subject settings, our method consistently manifests its capability of preserving the spatiotemporal structure of latent dynamics and outperforms existing approaches in alignment goodness-of-fit and neural decoding performance.

Feiyang Wu, Zhaoyuan Gu, Hanran Wu et al.

Enabling bipedal walking robots to learn how to maneuver over highly uneven, dynamically changing terrains is challenging due to the complexity of robot dynamics and interacted environments. Recent advancements in learning from demonstrations have shown promising results for robot learning in complex environments. While imitation learning of expert policies has been well-explored, the study of learning expert reward functions is largely under-explored in legged locomotion. This paper brings state-of-the-art Inverse Reinforcement Learning (IRL) techniques to solving bipedal locomotion problems over complex terrains. We propose algorithms for learning expert reward functions, and we subsequently analyze the learned functions. Through nonlinear function approximation, we uncover meaningful insights into the expert's locomotion strategies. Furthermore, we empirically demonstrate that training a bipedal locomotion policy with the inferred reward functions enhances its walking performance on unseen terrains, highlighting the adaptability offered by reward learning.

Chengrui Li, Soon Ho Kim, Chris Rodgers et al.

Exposing meaningful and interpretable neural interactions is critical to understanding neural circuits. Inferred neural interactions from neural signals primarily reflect functional interactions. In a long experiment, subject animals may experience different stages defined by the experiment, stimuli, or behavioral states, and hence functional interactions can change over time. To model dynamically changing functional interactions, prior work employs state-switching generalized linear models with hidden Markov models (i.e., HMM-GLMs). However, we argue they lack biological plausibility, as functional interactions are shaped and confined by the underlying anatomical connectome. Here, we propose a novel prior-informed state-switching GLM. We introduce both a Gaussian prior and a one-hot prior over the GLM in each state. The priors are learnable. We will show that the learned prior should capture the state-constant interaction, shedding light on the underlying anatomical connectome and revealing more likely physical neuron interactions. The state-dependent interaction modeled by each GLM offers traceability to capture functional variations across multiple brain states. Our methods effectively recover true interaction structures in simulated data, achieve the highest predictive likelihood with real neural datasets, and render interaction structures and hidden states more interpretable when applied to real neural data.

Chengrui Li, Yule Wang, Weihan Li et al.

Maximizing the log-likelihood is a crucial aspect of learning latent variable models, and variational inference (VI) stands as the commonly adopted method. However, VI can encounter challenges in achieving a high log-likelihood when dealing with complicated posterior distributions. In response to this limitation, we introduce a novel variational importance sampling (VIS) approach that directly estimates and maximizes the log-likelihood. VIS leverages the optimal proposal distribution, achieved by minimizing the forward $χ^2$ divergence, to enhance log-likelihood estimation. We apply VIS to various popular latent variable models, including mixture models, variational auto-encoders, and partially observable generalized linear models. Results demonstrate that our approach consistently outperforms state-of-the-art baselines, both in terms of log-likelihood and model parameter estimation.

Wei Zhu, Abirath Raju, Abdulaziz Shamsah et al.

This study presents an emotion-aware navigation framework -- EmoBipedNav -- using deep reinforcement learning (DRL) for bipedal robots walking in socially interactive environments. The inherent locomotion constraints of bipedal robots challenge their safe maneuvering capabilities in dynamic environments. When combined with the intricacies of social environments, including pedestrian interactions and social cues, such as emotions, these challenges become even more pronounced. To address these coupled problems, we propose a two-stage pipeline that considers both bipedal locomotion constraints and complex social environments. Specifically, social navigation scenarios are represented using sequential LiDAR grid maps (LGMs), from which we extract latent features, including collision regions, emotion-related discomfort zones, social interactions, and the spatio-temporal dynamics of evolving environments. The extracted features are directly mapped to the actions of reduced-order models (ROMs) through a DRL architecture. Furthermore, the proposed framework incorporates full-order dynamics and locomotion constraints during training, effectively accounting for tracking errors and restrictions of the locomotion controller while planning the trajectory with ROMs. Comprehensive experiments demonstrate that our approach exceeds both model-based planners and DRL-based baselines. The hardware videos and open-source code are available at https://gatech-lidar.github.io/emobipednav.github.io/.

Qi She, Anqi Wu

Latent dynamics discovery is challenging in extracting complex dynamics from high-dimensional noisy neural data. Many dimensionality reduction methods have been widely adopted to extract low-dimensional, smooth and time-evolving latent trajectories. However, simple state transition structures, linear embedding assumptions, or inflexible inference networks impede the accurate recovery of dynamic portraits. In this paper, we propose a novel latent dynamic model that is capable of capturing nonlinear, non-Markovian, long short-term time-dependent dynamics via recurrent neural networks and tackling complex nonlinear embedding via non-parametric Gaussian process. Due to the complexity and intractability of the model and its inference, we also provide a powerful inference network with bi-directional long short-term memory networks that encode both past and future information into posterior distributions. In the experiment, we show that our model outperforms other state-of-the-art methods in reconstructing insightful latent dynamics from both simulated and experimental neural datasets with either Gaussian or Poisson observations, especially in the low-sample scenario. Our codes and additional materials are available at https://github.com/sheqi/GP-RNN_UAI2019.

Amelie Minji Kim, Anqi Wu, Ye Zhao

We propose a novel hierarchical diffusion planner that embeds task and motion structure directly into the noise model. Unlike standard diffusion-based planners that rely on zero-mean, isotropic Gaussian corruption, we introduce task-conditioned structured Gaussians whose means and covariances are derived from Gaussian Process Motion Planning (GPMP), explicitly encoding trajectory smoothness and task semantics in the prior. We first generalize the standard diffusion process to biased, non-isotropic corruption with closed-form forward and posterior expressions. Building on this formulation, our hierarchical design separates prior instantiation from trajectory denoising. At the upper level, the model predicts sparse, task-centric key states and their associated timings, which instantiate a structured Gaussian prior (mean and covariance). At the lower level, the full trajectory is denoised under this fixed prior, treating the upper-level outputs as noisy observations. Experiments on Maze2D goal-reaching and KUKA block stacking show consistently higher success rates and smoother trajectories than isotropic baselines, achieving dataset-level smoothness substantially earlier during training. Ablation studies further show that explicitly structuring the corruption process provides benefits beyond neural conditioning the denoising network alone. Overall, our approach concentrates the prior's probability mass near feasible and semantically meaningful trajectories. Our project page is available at https://hta-diffusion.github.io.

Jingyang Ke, Weihan Li, Amartya Pradhan et al.

Understanding freely moving animal behavior is central to neuroscience, where pose estimation and behavioral understanding form the foundation for linking neural activity to natural actions. Yet both tasks still depend heavily on human annotation or unstable unsupervised pipelines, limiting scalability and reproducibility. We present BehaviorVLM, a unified vision-language framework for pose estimation and behavioral understanding that requires no task-specific finetuning and minimal human labeling by guiding pretrained Vision-Language Models (VLMs) through detailed, explicit, and verifiable reasoning steps. For pose estimation, we leverage quantum-dot-grounded behavioral data and propose a multi-stage pipeline that integrates temporal, spatial, and cross-view reasoning. This design greatly reduces human annotation effort, exposes low-confidence labels through geometric checks such as reprojection error, and produces labels that can later be filtered, corrected, or used to fine-tune downstream pose models. For behavioral understanding, we propose a pipeline that integrates deep embedded clustering for over-segmented behavior discovery, VLM-based per-clip video captioning, and LLM-based reasoning to merge and semantically label behavioral segments. The behavioral pipeline can operate directly from visual information and does not require keypoints to segment behavior. Together, these components enable scalable, interpretable, and label-light analysis of multi-animal behavior.

Yule Wang, Chengrui Li, Weihan Li et al.

Understanding the neural basis of behavior is a fundamental goal in neuroscience. Current research in large-scale neuro-behavioral data analysis often relies on decoding models, which quantify behavioral information in neural data but lack details on behavior encoding. This raises an intriguing scientific question: ``how can we enable in-depth exploration of neural representations in behavioral tasks, revealing interpretable neural dynamics associated with behaviors''. However, addressing this issue is challenging due to the varied behavioral encoding across different brain regions and mixed selectivity at the population level. To tackle this limitation, our approach, named ``BeNeDiff'', first identifies a fine-grained and disentangled neural subspace using a behavior-informed latent variable model. It then employs state-of-the-art generative diffusion models to synthesize behavior videos that interpret the neural dynamics of each latent factor. We validate the method on multi-session datasets containing widefield calcium imaging recordings across the dorsal cortex. Through guiding the diffusion model to activate individual latent factors, we verify that the neural dynamics of latent factors in the disentangled neural subspace provide interpretable quantifications of the behaviors of interest. At the same time, the neural subspace in BeNeDiff demonstrates high disentanglement and neural reconstruction quality.

Weihan Li, Chengrui Li, Yule Wang et al.

Studying the complex interactions between different brain regions is crucial in neuroscience. Various statistical methods have explored the latent communication across multiple brain regions. Two main categories are the Gaussian Process (GP) and Linear Dynamical System (LDS), each with unique strengths. The GP-based approach effectively discovers latent variables with frequency bands and communication directions. Conversely, the LDS-based approach is computationally efficient but lacks powerful expressiveness in latent representation. In this study, we merge both methodologies by creating an LDS mirroring a multi-output GP, termed Multi-Region Markovian Gaussian Process (MRM-GP). Our work establishes a connection between an LDS and a multi-output GP that explicitly models frequencies and phase delays within the latent space of neural recordings. Consequently, the model achieves a linear inference cost over time points and provides an interpretable low-dimensional representation, revealing communication directions across brain regions and separating oscillatory communications into different frequency bands.

Feiyang Wu, Xavier Nal, Jaehwi Jang et al.

Humanoid robots promise transformative capabilities for industrial and service applications. While recent advances in Reinforcement Learning (RL) yield impressive results in locomotion, manipulation, and navigation, the proposed methods typically require enormous simulation samples to account for real-world variability. This work proposes a novel one-stage training framework-Learn to Teach (L2T)-which unifies teacher and student policy learning. Our approach recycles simulator samples and synchronizes the learning trajectories through shared dynamics, significantly reducing sample complexities and training time while achieving state-of-the-art performance. Furthermore, we validate the RL variant (L2T-RL) through extensive simulations and hardware tests on the Digit robot, demonstrating zero-shot sim-to-real transfer and robust performance over 12+ challenging terrains without depth estimation modules.

Chengrui Li, Yunmiao Wang, Yule Wang et al.

A fully disentangled variational auto-encoder (VAE) aims to identify disentangled latent components from observations. However, enforcing full independence between all latent components may be too strict for certain datasets. In some cases, multiple factors may be entangled together in a non-separable manner, or a single independent semantic meaning could be represented by multiple latent components within a higher-dimensional manifold. To address such scenarios with greater flexibility, we develop the Partially Disentangled VAE (PDisVAE), which generalizes the total correlation (TC) term in fully disentangled VAEs to a partial correlation (PC) term. This framework can handle group-wise independence and can naturally reduce to either the standard VAE or the fully disentangled VAE. Validation through three synthetic experiments demonstrates the correctness and practicality of PDisVAE. When applied to real-world datasets, PDisVAE discovers valuable information that is difficult to find using fully disentangled VAEs, implying its versatility and effectiveness.

Jingyang Ke, Feiyang Wu, Jiyi Wang et al.

Traditional approaches to studying decision-making in neuroscience focus on simplified behavioral tasks where animals perform repetitive, stereotyped actions to receive explicit rewards. While informative, these methods constrain our understanding of decision-making to short timescale behaviors driven by explicit goals. In natural environments, animals exhibit more complex, long-term behaviors driven by intrinsic motivations that are often unobservable. Recent works in time-varying inverse reinforcement learning (IRL) aim to capture shifting motivations in long-term, freely moving behaviors. However, a crucial challenge remains: animals make decisions based on their history, not just their current state. To address this, we introduce SWIRL (SWitching IRL), a novel framework that extends traditional IRL by incorporating time-varying, history-dependent reward functions. SWIRL models long behavioral sequences as transitions between short-term decision-making processes, each governed by a unique reward function. SWIRL incorporates biologically plausible history dependency to capture how past decisions and environmental contexts shape behavior, offering a more accurate description of animal decision-making. We apply SWIRL to simulated and real-world animal behavior datasets and show that it outperforms models lacking history dependency, both quantitatively and qualitatively. This work presents the first IRL model to incorporate history-dependent policies and rewards to advance our understanding of complex, naturalistic decision-making in animals.

Chengrui Li, Weihan Li, Yule Wang et al.

The partially observable generalized linear model (POGLM) is a powerful tool for understanding neural connectivity under the assumption of existing hidden neurons. With spike trains only recorded from visible neurons, existing works use variational inference to learn POGLM meanwhile presenting the difficulty of learning this latent variable model. There are two main issues: (1) the sampled Poisson hidden spike count hinders the use of the pathwise gradient estimator in VI; and (2) the existing design of the variational model is neither expressive nor time-efficient, which further affects the performance. For (1), we propose a new differentiable POGLM, which enables the pathwise gradient estimator, better than the score function gradient estimator used in existing works. For (2), we propose the forward-backward message-passing sampling scheme for the variational model. Comprehensive experiments show that our differentiable POGLMs with our forward-backward message passing produce a better performance on one synthetic and two real-world datasets. Furthermore, our new method yields more interpretable parameters, underscoring its significance in neuroscience.

Michael Ibrahim, Hanqi Zhao, Eli Sennesh et al.

Poisson-distributed latent variable models are widely used in computational neuroscience, but differentiating through discrete stochastic samples remains challenging. Two approaches address this: Exponential Arrival Time (EAT) simulation and Gumbel-SoftMax (GSM) relaxation. We provide the first systematic comparison of these methods, along with practical guidance for practitioners. Our main technical contribution is a modification to the EAT method that theoretically guarantees an unbiased first moment (exactly matching the firing rate), and reduces second-moment bias. We evaluate these methods on their distributional fidelity, gradient quality, and performance on two tasks: (1) variational autoencoders with Poisson latents, and (2) partially observable generalized linear models, where latent neural connectivity must be inferred from observed spike trains. Across all metrics, our modified EAT method exhibits better overall performance (often comparable to exact gradients), and substantially higher robustness to hyperparameter choices. Together, our results clarify the trade-offs between these methods and offer concrete recommendations for practitioners working with Poisson latent variable models.

Chengrui Li, Yunmiao Wang, Yule Wang et al.

Low-rank recurrent neural networks (lrRNNs) are a class of models that uncover low-dimensional latent dynamics underlying neural population activity. Although their functional connectivity is low-rank, it lacks disentanglement interpretations, making it difficult to assign distinct computational roles to different latent dimensions. To address this, we propose the Disentangled Recurrent Neural Network (DisRNN), a generative lrRNN framework that assumes group-wise independence among latent dynamics while allowing flexible within-group entanglement. These independent latent groups allow latent dynamics to evolve separately, but are internally rich for complex computation. We reformulate the lrRNN under a variational autoencoder (VAE) framework, enabling us to introduce a partial correlation penalty that encourages disentanglement between groups of latent dimensions. Experiments on synthetic, monkey M1, and mouse voltage imaging data show that DisRNN consistently improves the disentanglement and interpretability of learned neural latent trajectories in low-dimensional space and low-rank connectivity over baseline lrRNNs that do not encourage partial disentanglement.

Feiyang Wu, Ye Zhao, Anqi Wu

We propose a distributional framework for offline Inverse Reinforcement Learning (IRL) that jointly models uncertainty over reward functions and full distributions of returns. Unlike conventional IRL approaches that recover a deterministic reward estimate or match only expected returns, our method captures richer structure in expert behavior, particularly in learning the reward distribution, by minimizing first-order stochastic dominance (FSD) violations and thus integrating distortion risk measures (DRMs) into policy learning, enabling the recovery of both reward distributions and distribution-aware policies. This formulation is well-suited for behavior analysis and risk-aware imitation learning. Empirical results on synthetic benchmarks, real-world neurobehavioral data, and MuJoCo control tasks demonstrate that our method recovers expressive reward representations and achieves state-of-the-art imitation performance.

Yule Wang, Joseph Yu, Chengrui Li et al.

Understanding how neural populations in higher visual areas encode object-centered visual information remains a central challenge in computational neuroscience. Prior works have investigated representational alignment between artificial neural networks and the visual cortex. Nevertheless, these findings are indirect and offer limited insights to the structure of neural populations themselves. Similarly, decoding-based methods have quantified semantic features from neural populations but have not uncovered their underlying organizations. This leaves open a scientific question: "how feature-specific visual information is distributed across neural populations in higher visual areas, and whether it is organized into structured, semantically meaningful subspaces." To tackle this problem, we present MIG-Vis, a method that leverages the generative power of diffusion models to visualize and validate the visual-semantic attributes encoded in neural latent subspaces. Our method first uses a variational autoencoder to infer a group-wise disentangled neural latent subspace from neural populations. Subsequently, we propose a mutual information (MI)-guided diffusion synthesis procedure to visualize the specific visual-semantic features encoded by each latent group. We validate MIG-Vis on multi-session neural spiking datasets from the inferior temporal (IT) cortex of two macaques. The synthesized results demonstrate that our method identifies neural latent groups with clear semantic selectivity to diverse visual features, including object pose, inter-category transformations, and intra-class content. These findings provide direct, interpretable evidence of structured semantic representation in the higher visual cortex and advance our understanding of its encoding principles.

Jiyi Wang, Jingyang Ke, Bo Dai et al.

Animals flexibly recombine a finite set of core motor motifs to meet diverse task demands, but existing behavior segmentation methods oversimplify this process by imposing discrete syllables under restrictive generative assumptions. To better capture the continuous structure of behavior generation, we introduce motif-based continuous dynamics (MCD) discovery, a framework that (1) uncovers interpretable motif sets as latent basis functions of behavior by leveraging representations of behavioral transition structure, and (2) models behavioral dynamics as continuously evolving mixtures of these motifs. We validate MCD on a multi-task gridworld, a labyrinth navigation task, and freely moving animal behavior. Across settings, it identifies reusable motif components, captures continuous compositional dynamics, and generates realistic trajectories beyond the capabilities of traditional discrete segmentation models. By providing a generative account of how complex animal behaviors emerge from dynamic combinations of fundamental motor motifs, our approach advances the quantitative study of natural behavior.

Weihan Li, Yule Wang, Chengrui Li et al.

Understanding and constructing brain communications that capture dynamic communications across multiple regions is fundamental to modern system neuroscience, yet current methods struggle to find time-varying region-level communications or scale to large neural datasets with long recording durations. We present a novel framework using Markovian Gaussian Processes to learn brain communications with time-varying temporal delays from multi-region neural recordings, named Adaptive Delay Model (ADM). Our method combines Gaussian Processes with State Space Models and employs parallel scan inference algorithms, enabling efficient scaling to large datasets while identifying concurrent communication patterns that evolve over time. This time-varying approach captures how brain region interactions shift dynamically during cognitive processes. Validated on synthetic and multi-region neural recordings datasets, our approach discovers both the directionality and temporal dynamics of neural communication. This work advances our understanding of distributed neural computation and provides a scalable tool for analyzing dynamic brain networks.

Feiyang Wu, Jingyang Ke, Anqi Wu

We study the problem of Inverse Reinforcement Learning (IRL) with an average-reward criterion. The goal is to recover an unknown policy and a reward function when the agent only has samples of states and actions from an experienced agent. Previous IRL methods assume that the expert is trained in a discounted environment, and the discount factor is known. This work alleviates this assumption by proposing an average-reward framework with efficient learning algorithms. We develop novel stochastic first-order methods to solve the IRL problem under the average-reward setting, which requires solving an Average-reward Markov Decision Process (AMDP) as a subproblem. To solve the subproblem, we develop a Stochastic Policy Mirror Descent (SPMD) method under general state and action spaces that needs $\mathcal{O}(1/\varepsilon)$ steps of gradient computation. Equipped with SPMD, we propose the Inverse Policy Mirror Descent (IPMD) method for solving the IRL problem with a $\mathcal{O}(1/\varepsilon^2)$ complexity. To the best of our knowledge, the aforementioned complexity results are new in IRL. Finally, we corroborate our analysis with numerical experiments using the MuJoCo benchmark and additional control tasks.

Anqi Wu

Researchers have been facing a difficult problem that data generation mechanisms could be influenced by internal or external factors leading to the training and test data with quite different distributions, consequently traditional classification or regression from the training set is unable to achieve satisfying results on test data. In this paper, we address this nontrivial domain generalization problem by finding a central subspace in which domain-based covariance is minimized while the functional relationship is simultaneously maximally preserved. We propose a novel variance measurement for multiple domains so as to minimize the difference between conditional distributions across domains with solid theoretical demonstration and supports, meanwhile, the algorithm preserves the functional relationship via maximizing the variance of conditional expectations given output. Furthermore, we also provide a fast implementation that requires much less computation and smaller memory for large-scale matrix operations, suitable for not only domain generalization but also other kernel-based eigenvalue decompositions. To show the practicality of the proposed method, we compare our methods against some well-known dimension reduction and domain generalization techniques on both synthetic data and real-world applications. We show that for small-scale datasets, we are able to achieve better quantitative results indicating better generalization performance over unseen test datasets. For large-scale problems, the proposed fast implementation maintains the quantitative performance but at a substantially lower computational cost.

Felix Pei, Joel Ye, David Zoltowski et al.

Advances in neural recording present increasing opportunities to study neural activity in unprecedented detail. Latent variable models (LVMs) are promising tools for analyzing this rich activity across diverse neural systems and behaviors, as LVMs do not depend on known relationships between the activity and external experimental variables. However, progress with LVMs for neuronal population activity is currently impeded by a lack of standardization, resulting in methods being developed and compared in an ad hoc manner. To coordinate these modeling efforts, we introduce a benchmark suite for latent variable modeling of neural population activity. We curate four datasets of neural spiking activity from cognitive, sensory, and motor areas to promote models that apply to the wide variety of activity seen across these areas. We identify unsupervised evaluation as a common framework for evaluating models across datasets, and apply several baselines that demonstrate benchmark diversity. We release this benchmark through EvalAI. http://neurallatents.github.io

Ming Bo Cai, Michael Shvartsman, Anqi Wu et al.

With the wide adoption of functional magnetic resonance imaging (fMRI) by cognitive neuroscience researchers, large volumes of brain imaging data have been accumulated in recent years. Aggregating these data to derive scientific insights often faces the challenge that fMRI data are high-dimensional, heterogeneous across people, and noisy. These challenges demand the development of computational tools that are tailored both for the neuroscience questions and for the properties of the data. We review a few recently developed algorithms in various domains of fMRI research: fMRI in naturalistic tasks, analyzing full-brain functional connectivity, pattern classification, inferring representational similarity and modeling structured residuals. These algorithms all tackle the challenges in fMRI similarly: they start by making clear statements of assumptions about neural data and existing domain knowledge, incorporating those assumptions and domain knowledge into probabilistic graphical models, and using those models to estimate properties of interest or latent structures in the data. Such approaches can avoid erroneous findings, reduce the impact of noise, better utilize known properties of the data, and better aggregate data across groups of subjects. With these successful cases, we advocate wider adoption of explicit model construction in cognitive neuroscience. Although we focus on fMRI, the principle illustrated here is generally applicable to brain data of other modalities.

Anqi Wu, Sebastian Nowozin, Edward Meeds et al.

Bayesian neural networks (BNNs) hold great promise as a flexible and principled solution to deal with uncertainty when learning from finite data. Among approaches to realize probabilistic inference in deep neural networks, variational Bayes (VB) is theoretically grounded, generally applicable, and computationally efficient. With wide recognition of potential advantages, why is it that variational Bayes has seen very limited practical use for BNNs in real applications? We argue that variational inference in neural networks is fragile: successful implementations require careful initialization and tuning of prior variances, as well as controlling the variance of Monte Carlo gradient estimates. We provide two innovations that aim to turn VB into a robust inference tool for Bayesian neural networks: first, we introduce a novel deterministic method to approximate moments in neural networks, eliminating gradient variance; second, we introduce a hierarchical prior for parameters and a novel Empirical Bayes procedure for automatically selecting prior variances. Combining these two innovations, the resulting method is highly efficient and robust. On the application of heteroscedastic regression we demonstrate good predictive performance over alternative approaches.

Anqi Wu, Oluwasanmi Koyejo, Jonathan W. Pillow

In many problem settings, parameter vectors are not merely sparse but dependent in such a way that non-zero coefficients tend to cluster together. We refer to this form of dependency as "region sparsity." Classical sparse regression methods, such as the lasso and automatic relevance determination (ARD), which model parameters as independent a priori, and therefore do not exploit such dependencies. Here we introduce a hierarchical model for smooth, region-sparse weight vectors and tensors in a linear regression setting. Our approach represents a hierarchical extension of the relevance determination framework, where we add a transformed Gaussian process to model the dependencies between the prior variances of regression weights. We combine this with a structured model of the prior variances of Fourier coefficients, which eliminates unnecessary high frequencies. The resulting prior encourages weights to be region-sparse in two different bases simultaneously. We develop Laplace approximation and Monte Carlo Markov Chain (MCMC) sampling to provide efficient inference for the posterior. Furthermore, a two-stage convex relaxation of the Laplace approximation approach is also provided to relax the inevitable non-convexity during the optimization. We finally show substantial improvements over comparable methods for both simulated and real datasets from brain imaging.

Anqi Wu, Mikio C. Aoi, Jonathan W. Pillow

An exciting branch of machine learning research focuses on methods for learning, optimizing, and integrating unknown functions that are difficult or costly to evaluate. A popular Bayesian approach to this problem uses a Gaussian process (GP) to construct a posterior distribution over the function of interest given a set of observed measurements, and selects new points to evaluate using the statistics of this posterior. Here we extend these methods to exploit derivative information from the unknown function. We describe methods for Bayesian optimization (BO) and Bayesian quadrature (BQ) in settings where first and second derivatives may be evaluated along with the function itself. We perform sampling-based inference in order to incorporate uncertainty over hyperparameters, and show that both hyperparameter and function uncertainty decrease much more rapidly when using derivative information. Moreover, we introduce techniques for overcoming ill-conditioning issues that have plagued earlier methods for gradient-enhanced Gaussian processes and kriging. We illustrate the efficacy of these methods using applications to real and simulated Bayesian optimization and quadrature problems, and show that exploting derivatives can provide substantial gains over standard methods.