Learning Graphical Models
Approximate Message Passing for Bayesian Neural Networks
Sommerfeld, Romeo, Helms, Christian, Herbrich, Ralf
Bayesian neural networks (BNNs) offer the potential for reliable uncertainty quantification and interpretability, which are critical for trustworthy AI in high-stakes domains. In this work, we advance message passing (MP) for BNNs and present a novel framework that models the predictive posterior as a factor graph. To the best of our knowledge, our framework is the first MP method that handles convolutional neural networks and avoids double-counting training data, a limitation of previous MP methods that causes overconfidence. We evaluate our approach on CIFAR-10 with a convolutional neural network of roughly 890k parameters and find that it can compete with the SOTA baselines AdamW and IVON, even having an edge in terms of calibration. On synthetic data, we validate the uncertainty estimates and observe a strong correlation (0.9) between posterior credible intervals and its probability of covering the true data-generating function outside the training range. While our method scales to an MLP with 5.6 million parameters, further improvements are necessary to match the scale and performance of state-of-the-art variational inference methods. Deep learning models have achieved impressive results across various domains, including natural language processing (Vaswani et al., 2023), computer vision (Ravi et al., 2024), and autonomous systems (Bojarski et al., 2016). Yet, they often produce overconfident but incorrect predictions, particularly in ambiguous or out-of-distribution scenarios. Without the ability to effectively quantify uncertainty, this can foster both overreliance and underreliance on models, as users stop trusting their outputs entirely (Zhang et al., 2024), and in high-stakes domains like healthcare or autonomous driving, its application can be dangerous (Henne et al., 2020). To ensure safer deployment in these settings, models must not only predict outcomes but also express how uncertain they are about those predictions to allow for informed decision-making. Bayesian neural networks (BNNs) offer a principled way to quantify uncertainty by capturing a posterior distribution over the model's weights, rather than relying on point estimates as in traditional neural networks. This allows BNNs to express epistemic uncertainty, the model's lack of knowledge about the underlying data distribution.
Episodic Novelty Through Temporal Distance
Jiang, Yuhua, Liu, Qihan, Yang, Yiqin, Ma, Xiaoteng, Zhong, Dianyu, Hu, Hao, Yang, Jun, Liang, Bin, Xu, Bo, Zhang, Chongjie, Zhao, Qianchuan
Exploration in sparse reward environments remains a significant challenge in reinforcement learning, particularly in Contextual Markov Decision Processes (CMDPs), where environments differ across episodes. Existing episodic intrinsic motivation methods for CMDPs primarily rely on count-based approaches, which are ineffective in large state spaces, or on similarity-based methods that lack appropriate metrics for state comparison. To address these shortcomings, we propose Episodic Novelty Through Temporal Distance (ETD), a novel approach that introduces temporal distance as a robust metric for state similarity and intrinsic reward computation. By employing contrastive learning, ETD accurately estimates temporal distances and derives intrinsic rewards based on the novelty of states within the current episode. Extensive experiments on various benchmark tasks demonstrate that ETD significantly outperforms state-of-the-art methods, highlighting its effectiveness in enhancing exploration in sparse reward CMDPs.
Formal Verification of Markov Processes with Learned Parameters
Maaz, Muhammad, Chan, Timothy C. Y.
We introduce the problem of formally verifying properties of Markov processes where the parameters are the output of machine learning models. Our formulation is general and solves a wide range of problems, including verifying properties of probabilistic programs that use machine learning, and subgroup analysis in healthcare modeling. We show that for a broad class of machine learning models, including linear models, tree-based models, and neural networks, verifying properties of Markov chains like reachability, hitting time, and total reward can be formulated as a bilinear program. We develop a decomposition and bound propagation scheme for solving the bilinear program and show through computational experiments that our method solves the problem to global optimality up to 100x faster than state-of-the-art solvers. We also release $\texttt{markovml}$, an open-source tool for building Markov processes, integrating pretrained machine learning models, and verifying their properties, available at https://github.com/mmaaz-git/markovml.
Review for NeurIPS paper: Gibbs Sampling with People
Weaknesses: Overall, I thought this was a strong paper. The main concerns I had were as follows: (1) Mode-seeking versus showing the distribution: The aggregated results in the first experiment seem to show much more homogeneity than the results for GSP or MCMCP. It seems like one limitation of this approach might be that there is limited exploration of the space, perhaps making it hard to move between modes, and also makes it more difficult to see the full shape of the distribution, which I have often taken to be a goal in work using MCMCP. The movement between optimization and seeking a distribution is discussed to some extent in the paper, but I would be interested in seeing this discussed more (and perhaps whether GP without aggregation is likely to lead to more optimization than MCMCP). In the author response, they have shown additional information suggesting that GSP is more mode-seeking but also does a better job of capturing the distribution.
Review for NeurIPS paper: Gibbs Sampling with People
This paper introduces a new method for eliciting human representations of perceptual concepts, such as what RGB values people think correspond to the color "sunset" or what auditory dimensions (e.g. Rather than eliciting representations via guess-and-check (i.e., start with a dataset and then apply human-generated labels), this method (Gibbs Sampling with People, or GSP) enables inference to go in the other direction (i.e., start with labels, and then identify percepts that match those labels). GSP extends prior work (MCMC with People) to allow eliciting representations of much higher-dimensional stimuli. The reviewers unanimously praised this paper for tackling an important and relevant problem in cognitive science, for its breadth of empirical results, and for its novelty over prior work. R2 stated that the paper is "impressive in scale, scope, and results", R3 stated that it was "very relevant to the NeurIPS community and very novel", and R4 felt there could be "a potentially large impact of this work" with "substantial interest" amongst the NeurIPS community.
Reviews: Bipartite expander Hopfield networks as self-decoding high-capacity error correcting codes
As the authors note, capacity is often balanced against robustness; since code redundancy is needed to enable recovery from noise, capacity is necessarily reduced because of the redundancy, making this an especially difficult problem. The authors rise to this challenge and claim to produce a network that exhibits "exponential capacity, robustness to large errors, and self decoding or clean-up of these errors". There network takes the structure of a restricted Boltzmann machine wherein the hidden units are comprised of clusters of neurons that laterally inhibit each other, each with the same connectivity to the input units but with different weights. The authors motivate their network using inspirations and ideas from expander graphs, error correcting codes, and Hopfield Networks. The proposed solution is straightforward and well-motivated, and all the design and algorithm choices seem quite sensible.
Reviews: Bipartite expander Hopfield networks as self-decoding high-capacity error correcting codes
This paper presents a novel form of associative content addressable (ACA) memory systems. The canonical model for ACA memory is the Hopfield network, which can only store approximately N patterns of N bits. The authors use developments from error-correcting codes (ECCs) to implement an ACA that can store e N, N bit patterns. This is accomplished by using a bipartite expander graph, which is essentially a restricted Boltzmann machine (RBM) wherein the hidden nodes are actually clusters of units that are mutually inhibitory. The authors demonstrate that these networks have dynamics that can engage in error correction similar to ECCs, enabling the storage of exponentially many patterns.
Reviews: BatchBALD: Efficient and Diverse Batch Acquisition for Deep Bayesian Active Learning
My score remains the same. The methods proposed in the paper elegantly deals with the problem of redundant acquisition when using BALD in a greedy manner. I have a few questions and hope the authors can address them: (1) Does this problem of redundant acquisition only happen when one uses BALD as the score? Intuitively I would think no, as if one uses any score function greedily, regardless of the contribution of the other samples selected in the same batch, one can still end up with a biased batch that can potentially harm training. If this is the case, then why are var-ratios and mean-std outperforming random?
Reviews: BatchBALD: Efficient and Diverse Batch Acquisition for Deep Bayesian Active Learning
The paper proposes BatchBALD, a batch acquisition function for sample selection in active learning. A greedy optimization algorithm is presented for efficient sample selection and BatchBALD score maximization. The reviewers and AC agree that this is an interesting work and that the approach is clearly presented and convincing. In addition the author response satisfactorily addresses the points raised in the reviews.
Reviews: Markov Random Fields for Collaborative Filtering
The paper presents a novel method for recommendation with collaborative filtering based on Markov Random Fields (MRF). Starting from a general approach that regresses the full graph of items, the paper shows that a valid approximation can be obtained by proceeding with subgraphs that represent Markov blankets of an initial set of items. This approach yields significant computing gains, while yielding better recommendation performance compared to the state-of-the-art represented here by variational auto-encoders. As a general comment, I am wondering whether taking into account the popularity bias makes sense in the approach and if the authors thought about it. The claims are well supported by theoretical analysis.