Mitigating shortcuts, where models exploit spurious correlations in training data, remains a significant challenge for improving generalization. Regularization methods have been proposed to address this issue by enhancing model generalizability. However, we demonstrate that these methods can sometimes overregularize, inadvertently suppressing causal features along with spurious ones. In this work, we analyze the theoretical mechanisms by which regularization mitigates shortcuts and explore the limits of its effectiveness. Additionally, we identify the conditions under which regularization can successfully eliminate shortcuts without compromising causal features. Through experiments on synthetic and real-world datasets, our comprehensive analysis provides valuable insights into the strengths and limitations of regularization techniques for addressing shortcuts, offering guidance for developing more robust models.

Within batch reinforcement learning, safe policy improvement seeks to ensure that the learned policy performs at least as well as the behavior policy that generated the dataset. The core challenge is seeking improvements while balancing risk when many state-action pairs may be infrequently visited. In this work, we introduce Decision Points RL (DPRL), an algorithm that restricts the set of state-action pairs (or regions for continuous states) considered for improvement. DPRL ensures high-confidence improvement in densely visited states (called ‘decision points’) while still utilizing data from sparsely visited states by using them for trajectory-based value estimates. By selectively limiting the state-actions where the policy deviates from the behavior, we achieve tighter theoretical guarantees that depend only on the counts of frequently observed state-action pairs rather than on state-action space size. Our empirical results confirm DPRL provides both safety and performance improvements across synthetic and real-world applications.

Discount regularization, using a shorter planning horizon when calculating the optimal policy, is a popular choice to avoid overfitting when faced with sparse or noisy data. It is commonly interpreted as de-emphasizing or ignoring delayed effects. In this paper, we prove two alternative views of discount regularization that expose unintended consequences and motivate novel regularization methods. In model-based RL, planning under a lower discount factor acts like a prior with stronger regularization on state-action pairs with more transition data. This leads to poor performance when the transition matrix is estimated from data sets with uneven amounts of data across state-action pairs. In model-free RL, discount regularization equates to planning using a weighted average Bellman update, where the agent plans as if the values of all state-action pairs are closer than implied by the data. Our equivalence theorems motivate simple methods that generalize discount regularization by setting parameters locally for individual state-action pairs rather than globally. We demonstrate the failures of discount regularization and how we remedy them using our state-action-specific methods across empirical examples with both tabular and continuous state spaces.

Discount regularization, using a shorter planning horizon when calculating the optimal policy, is a popular choice to restrict planning to a less complex set of policies when estimating an MDP from sparse or noisy data (Jiang et al., 2015). It is commonly understood that discount regularization functions by de-emphasizing or ignoring delayed effects. In this paper, we reveal an alternate view of discount regularization that exposes unintended consequences. We demonstrate that planning under a lower discount factor produces an identical optimal policy to planning using any prior on the transition matrix that has the same distribution for all states and actions. In fact, it functions like a prior with stronger regularization on state-action pairs with more transition data. This leads to poor performance when the transition matrix is estimated from data sets with uneven amounts of data across state-action pairs. Our equivalence theorem leads to an explicit formula to set regularization parameters locally for individual state-action pairs rather than globally. We demonstrate the failures of discount regularization and how we remedy them using our state-action-specific method across simple empirical examples as well as a medical cancer simulator.

Concept bottleneck models (CBMs) enhance the interpretability of their predictions by first predicting high-level concepts given features, and subsequently predicting outcomes on the basis of these concepts. Recently, it was demonstrated that training the label predictor directly on the probabilities produced by the concept predictor as opposed to the ground-truth concepts, improves label predictions. However, this results in corruptions in the concept predictions that impact the concept accuracy as well as our ability to intervene on the concepts -- a key proposed benefit of CBMs. In this work, we investigate and address two issues with CBMs that cause this disparity in performance: having an insufficient concept set and using inexpressive concept predictor. With our modifications, CBMs become competitive in terms of predictive performance, with models that otherwise leak additional information in the concept probabilities, while having dramatically increased concept accuracy and intervention accuracy.

Deep models have advanced prediction in many domains, but their lack of interpretability remains a key barrier to the adoption in many real world applications. There exists a large body of work aiming to help humans understand these black box functions to varying levels of granularity – for example, through distillation, gradients, or adversarial examples. These methods however, all tackle interpretability as a separate process after training. In this work, we take a different approach and explicitly regularize deep models so that they are well-approximated by processes that humans can step through in little time. Specifically, we train several families of deep neural networks to resemble compact, axis-aligned decision trees without significant compromises in accuracy. The resulting axis-aligned decision functions uniquely make tree regularized models easy for humans to interpret. Moreover, for situations in which a single, global tree is a poor estimator, we introduce a regional tree regularizer that encourages the deep model to resemble a compact, axis-aligned decision tree in predefined, human-interpretable contexts. Using intuitive toy examples, benchmark image datasets, and medical tasks for patients in critical care and with HIV, we demonstrate that this new family of tree regularizers yield models that are easier for humans to simulate than L1 or L2 penalties without sacrificing predictive power.

The lack of interpretability remains a barrier to adopting deep neural networks across many safety-critical domains. Tree regularization was recently proposed to encourage a deep neural network's decisions to resemble those of a globally compact, axis-aligned decision tree. However, it is often unreasonable to expect a single tree to predict well across all possible inputs. In practice, doing so could lead to neither interpretable nor performant optima. To address this issue, we propose regional tree regularization – a method that encourages a deep model to be well-approximated by several separate decision trees specific to predefined regions of the input space. Across many datasets, including two healthcare applications, we show our approach delivers simpler explanations than other regularization schemes without compromising accuracy. Specifically, our regional regularizer finds many more “desirable” optima compared to global analogues.

Off-policy evaluation in reinforcement learning offers the chance of using observational data to improve future outcomes in domains such as healthcare and education, but safe deployment in high stakes settings requires ways of assessing its validity. Traditional measures such as confidence intervals may be insufficient due to noise, limited data and confounding. In this paper we develop a method that could serve as a hybrid human-AI system, to enable human experts to analyze the validity of policy evaluation estimates. This is accomplished by highlighting observations in the data whose removal will have a large effect on the OPE estimate, and formulating a set of rules for choosing which ones to present to domain experts for validation. We develop methods to compute exactly the influence functions for fitted Q-evaluation with two different function classes: kernel-based and linear least squares, as well as importance sampling methods. Experiments on medical simulations and real-world intensive care unit data demonstrate that our method can be used to identify limitations in the evaluation process and make evaluation more robust.

Symmetry transformations induce invariances and are a crucial building block of modern machine learning algorithms. In many complex domains, such as the chemical space, invariances can be observed, yet the corresponding symmetry transformation cannot be formulated analytically. We propose to learn the symmetry transformation with a model consisting of two latent subspaces, where the first subspace captures the target and the second subspace the remaining invariant information. Our approach is based on the deep information bottleneck in combination with a continuous mutual information regulariser. Unlike previous methods, we focus on the challenging task of minimising mutual information in continuous domains. To this end, we base the calculation of mutual information on correlation matrices in combination with a bijective variable transformation. Extensive experiments demonstrate that our model outperforms state-of-the-art methods on artificial and molecular datasets.

In this work, we consider the problem of learning a hierarchical generative model of an object from a set of images which show examples of the object in the presence of variable background clutter. Existing approaches to this problem are limited by making strong a-priori assumptions about the object’s geometric structure and require seg- mented training data for learning. In this paper, we propose a novel framework for learning hierarchical compositional models (HCMs) which do not suffer from the mentioned limitations. We present a generalized formulation of HCMs and describe a greedy structure learning framework that consists of two phases: Bottom-up part learning and top-down model composition. Our framework integrates the foreground-background segmentation problem into the structure learning task via a background model. As a result, we can jointly optimize for the number of layers in the hierarchy, the number of parts per layer and a foreground- background segmentation based on class labels only. We show that the learned HCMs are semantically meaningful and achieve competitive results when compared to other generative object models at object classification on a standard transfer learning dataset.

The lack of interpretability remains a key barrier to the adoption of deep models in many applications. In this work, we explicitly regularize deep models so human users might step through the process behind their predictions in little time. Specifically, we train deep time-series models so their class-probability predictions have high accuracy while being closely modeled by decision trees with few nodes. Using intuitive toy examples as well as medical tasks for treating sepsis and HIV, we demonstrate that this new tree regularization yields models that are easier for humans to simulate than simpler L1 or L2 penalties without sacrificing predictive power.

This paper considers a Bayesian view for estimating the Markov blanket of a set of query variables, where the set of potential neighbours here is big. We factorize the posterior such that the Markov blanket is conditionally independent of the network of the potential neighbours. By exploiting this blockwise decoupling, we derive analytic expressions for posterior conditionals. Subsequently, we develop an inference scheme, which makes use of the factorization. As a result, estimation of a sub-network is possible without inferring an entire network. Since the resulting Gibbs sampler scales linearly with the number of variables, it can handle relatively large neighbourhoods. The proposed scheme results in faster convergence and superior mixing of the Markov chain than existing Bayesian network estimation techniques.