Towards Reasonable Concept Bottleneck Models

In this paper, we propose $\textbf{C}$oncept $\textbf{REA}$soning $\textbf{M}$odels (CREAM), a novel family of Concept Bottleneck Models (CBMs) that: (i) explicitly encodes concept-concept (${\texttt{C-C}}$) and concept-task (${\texttt{C$\rightarrow$Y}}$) relationships to enforce a desired model reasoning; and (ii) use a regularized side-channel to achieve competitive task performance, while keeping high concept importance. Specifically, CREAM architecturally embeds (bi)directed concept-concept, and concept to task relationships specified by a human expert, while severing undesired information flows (e.g., to handle mutually exclusive concepts). Moreover, CREAM integrates a black-box side-channel that is regularized to encourage task predictions to be grounded in the relevant concepts, thereby utilizing the side-channel only when necessary to enhance performance. Our experiments show that: (i) CREAM mainly relies on concepts while achieving task performance on par with black-box models; and (ii) the embedded ${\texttt{C-C}}$ and ${\texttt{C$\rightarrow$Y}}$ relationships ease model interventions and mitigate concept leakage.

Per-Domain Generalizing Policies: On Validation Instances and Scaling Behavior

Recent work has shown that successful per-domain generalizing action policies can be learned. Scaling behavior, from small training instances to large test instances, is the key objective; and the use of validation instances larger than training instances is one key to achieve it. Prior work has used fixed validation sets. Here, we introduce a method generating the validation set dynamically, on the fly, increasing instance size so long as informative and feasible.We also introduce refined methodology for evaluating scaling behavior, generating test instances systematically to guarantee a given confidence in coverage performance for each instance size. In experiments, dynamic validation improves scaling behavior of GNN policies in all 9 domains used.

Hyper-Transforming Latent Diffusion Models

We introduce a novel generative framework for functions by integrating Implicit Neural Representations (INRs) and Transformer-based hypernetworks into latent variable models. Unlike prior approaches that rely on MLP-based hypernetworks with scalability limitations, our method employs a Transformer-based decoder to generate INR parameters from latent variables, addressing both representation capacity and computational efficiency. Our framework extends latent diffusion models (LDMs) to INR generation by replacing standard decoders with a Transformer-based hypernetwork, which can be trained either from scratch or via hyper-transforming-a strategy that fine-tunes only the decoder while freezing the pre-trained latent space. This enables efficient adaptation of existing generative models to INR-based representations without requiring full retraining.

A Causal Framework to Measure and Mitigate Non-binary Treatment Discrimination

Fairness studies of algorithmic decision-making systems often simplify complex decision processes, such as bail or loan approvals, into binary classification tasks. However, these approaches overlook that such decisions are not inherently binary (e.g., approve or not approve bail or loan); they also involve non-binary treatment decisions (e.g., bail conditions or loan terms) that can influence the downstream outcomes (e.g., loan repayment or reoffending). In this paper, we argue that non-binary treatment decisions are integral to the decision process and controlled by decision-makers and, therefore, should be central to fairness analyses in algorithmic decision-making. We propose a causal framework that extends fairness analyses and explicitly distinguishes between decision-subjects' covariates and the treatment decisions. This specification allows decision-makers to use our framework to (i) measure treatment disparity and its downstream effects in historical data and, using counterfactual reasoning, (ii) mitigate the impact of past unfair treatment decisions when automating decision-making. We use our framework to empirically analyze four widely used loan approval datasets to reveal potential disparity in non-binary treatment decisions and their discriminatory impact on outcomes, highlighting the need to incorporate treatment decisions in fairness assessments. Moreover, by intervening in treatment decisions, we show that our framework effectively mitigates treatment discrimination from historical data to ensure fair risk score estimation and (non-binary) decision-making processes that benefit all stakeholders.

DeCaFlow: A Deconfounding Causal Generative Model

Causal generative models (CGMs) have recently emerged as capable approaches to simulate the causal mechanisms generating our observations, enabling causal inference. Unfortunately, existing approaches either are overly restrictive, assuming the absence of hidden confounders, or lack generality, being tailored to a particular query and graph. In this work, we introduce DeCaFlow, a CGM that accounts for hidden confounders in a single amortized training process using only observational data and the causal graph. Importantly, DeCaFlow can provably identify all causal queries with a valid adjustment set or sufficiently informative proxy variables. Remarkably, for the first time to our knowledge, we show that a confounded counterfactual query is identifiable, and thus solvable by DeCaFlow, as long as its interventional counterpart is as well. Our empirical results on diverse settings (including the Ecoli70 dataset, with 3 independent hidden confounders, tens of observed variables and hundreds of causal queries) show that DeCaFlow outperforms existing approaches, while demonstrating its out-of-the-box flexibility.

COPA: Comparing the Incomparable to Explore the Pareto Front

In machine learning (ML), it is common to account for multiple objectives when, e.g., selecting a model to deploy. However, it is often unclear how one should compare, aggregate and, ultimately, trade-off these objectives, as they might be measured in different units or scales. For example, when deploying large language models (LLMs), we might not only care about their performance, but also their CO2 consumption. In this work, we investigate how objectives can be sensibly compared and aggregated to navigate their Pareto front. To do so, we propose to make incomparable objectives comparable via their CDFs, approximated by their relative rankings. This allows us to aggregate them while matching user-specific preferences, allowing practitioners to meaningfully navigate and search for models in the Pareto front. We demonstrate the potential impact of our methodology in diverse areas such as LLM selection, domain generalization, and AutoML benchmarking, where classical ways to aggregate and normalize objectives fail.

A Practical Approach to Causal Inference over Time

In this paper, we focus on estimating the causal effect of an intervention over time on a dynamical system. To that end, we formally define causal interventions and their effects over time on discrete-time stochastic processes (DSPs). Then, we show under which conditions the equilibrium states of a DSP, both before and after a causal intervention, can be captured by a structural causal model (SCM). With such an equivalence at hand, we provide an explicit mapping from vector autoregressive models (VARs), broadly applied in econometrics, to linear, but potentially cyclic and/or affected by unmeasured confounders, SCMs. The resulting causal VAR framework allows us to perform causal inference over time from observational time series data. Our experiments on synthetic and real-world datasets show that the proposed framework achieves strong performance in terms of observational forecasting while enabling accurate estimation of the causal effect of interventions on dynamical systems. We demonstrate, through a case study, the potential practical questions that can be addressed using the proposed causal VAR framework.

Improving the interpretability of GNN predictions through conformal-based graph sparsification

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the task at hand, thus hindering the interpretability of their predictions. In contrast to prior work, in this paper we propose a GNN \emph{training} approach that jointly i) finds the most predictive subgraph by removing edges and/or nodes -- -\emph{without making assumptions about the subgraph structure} -- while ii) optimizing the performance of the graph classification task. To that end, we rely on reinforcement learning to solve the resulting bi-level optimization with a reward function based on conformal predictions to account for the current in-training uncertainty of the classifier. Our empirical results on nine different graph classification datasets show that our method competes in performance with baselines while relying on significantly sparser subgraphs, leading to more interpretable GNN-based predictions.

Designing Long-term Group Fair Policies in Dynamical Systems

Neglecting the effect that decisions have on individuals (and thus, on the underlying data distribution) when designing algorithmic decision-making policies may increase inequalities and unfairness in the long term - even if fairness considerations were taken in the policy design process. In this paper, we propose a novel framework for achieving long-term group fairness in dynamical systems, in which current decisions may affect an individual's features in the next step, and thus, future decisions. Specifically, our framework allows us to identify a time-independent policy that converges, if deployed, to the targeted fair stationary state of the system in the long term, independently of the initial data distribution. We model the system dynamics with a time-homogeneous Markov chain and optimize the policy leveraging the Markov chain convergence theorem to ensure unique convergence. We provide examples of different targeted fair states of the system, encompassing a range of long-term goals for society and policymakers. Furthermore, we show how our approach facilitates the evaluation of different long-term targets by examining their impact on the group-conditional population distribution in the long term and how it evolves until convergence.

Causal normalizing flows: from theory to practice

In this work, we deepen on the use of normalizing flows for causal reasoning. Specifically, we first leverage recent results on non-linear ICA to show that causal models are identifiable from observational data given a causal ordering, and thus can be recovered using autoregressive normalizing flows (NFs). Second, we analyze different design and learning choices for causal normalizing flows to capture the underlying causal data-generating process. Third, we describe how to implement the do-operator in causal NFs, and thus, how to answer interventional and counterfactual questions. Finally, in our experiments, we validate our design and training choices through a comprehensive ablation study; compare causal NFs to other approaches for approximating causal models; and empirically demonstrate that causal NFs can be used to address real-world problems, where the presence of mixed discrete-continuous data and partial knowledge on the causal graph is the norm. The code for this work can be found at https://github.com/psanch21/causal-flows.