Department of Computer Science, KU Leuven
Abstract:The lack of transparency in the decision-making processes of deep learning systems presents a significant challenge in modern artificial intelligence (AI), as it impairs users' ability to rely on and verify these systems. To address this challenge, Concept Bottleneck Models (CBMs) have made significant progress by incorporating human-interpretable concepts into deep learning architectures. This approach allows predictions to be traced back to specific concept patterns that users can understand and potentially intervene on. However, existing CBMs' task predictors are not fully interpretable, preventing a thorough analysis and any form of formal verification of their decision-making process prior to deployment, thereby raising significant reliability concerns. To bridge this gap, we introduce Concept-based Memory Reasoner (CMR), a novel CBM designed to provide a human-understandable and provably-verifiable task prediction process. Our approach is to model each task prediction as a neural selection mechanism over a memory of learnable logic rules, followed by a symbolic evaluation of the selected rule. The presence of an explicit memory and the symbolic evaluation allow domain experts to inspect and formally verify the validity of certain global properties of interest for the task prediction process. Experimental results demonstrate that CMR achieves comparable accuracy-interpretability trade-offs to state-of-the-art CBMs, discovers logic rules consistent with ground truths, allows for rule interventions, and allows pre-deployment verification.
Abstract:Causal opacity denotes the difficulty in understanding the "hidden" causal structure underlying a deep neural network's (DNN) reasoning. This leads to the inability to rely on and verify state-of-the-art DNN-based systems especially in high-stakes scenarios. For this reason, causal opacity represents a key open challenge at the intersection of deep learning, interpretability, and causality. This work addresses this gap by introducing Causal Concept Embedding Models (Causal CEMs), a class of interpretable models whose decision-making process is causally transparent by design. The results of our experiments show that Causal CEMs can: (i) match the generalization performance of causally-opaque models, (ii) support the analysis of interventional and counterfactual scenarios, thereby improving the model's causal interpretability and supporting the effective verification of its reliability and fairness, and (iii) enable human-in-the-loop corrections to mispredicted intermediate reasoning steps, boosting not just downstream accuracy after corrections but also accuracy of the explanation provided for a specific instance.
Abstract:Neuro-symbolic systems (NeSy), which claim to combine the best of both learning and reasoning capabilities of artificial intelligence, are missing a core property of reasoning systems: Declarativeness. The lack of declarativeness is caused by the functional nature of neural predicates inherited from neural networks. We propose and implement a general framework for fully declarative neural predicates, which hence extends to fully declarative NeSy frameworks. We first show that the declarative extension preserves the learning and reasoning capabilities while being able to answer arbitrary queries while only being trained on a single query type.
Abstract:Current deep learning models are not designed to simultaneously address three fundamental questions: predict class labels to solve a given classification task (the "What?"), explain task predictions (the "Why?"), and imagine alternative scenarios that could result in different predictions (the "What if?"). The inability to answer these questions represents a crucial gap in deploying reliable AI agents, calibrating human trust, and deepening human-machine interaction. To bridge this gap, we introduce CounterFactual Concept Bottleneck Models (CF-CBMs), a class of models designed to efficiently address the above queries all at once without the need to run post-hoc searches. Our results show that CF-CBMs produce: accurate predictions (the "What?"), simple explanations for task predictions (the "Why?"), and interpretable counterfactuals (the "What if?"). CF-CBMs can also sample or estimate the most probable counterfactual to: (i) explain the effect of concept interventions on tasks, (ii) show users how to get a desired class label, and (iii) propose concept interventions via "task-driven" interventions.
Abstract:The design of interpretable deep learning models working in relational domains poses an open challenge: interpretable deep learning methods, such as Concept-Based Models (CBMs), are not designed to solve relational problems, while relational models are not as interpretable as CBMs. To address this problem, we propose Relational Concept-Based Models, a family of relational deep learning methods providing interpretable task predictions. Our experiments, ranging from image classification to link prediction in knowledge graphs, show that relational CBMs (i) match generalization performance of existing relational black-boxes (as opposed to non-relational CBMs), (ii) support the generation of quantified concept-based explanations, (iii) effectively respond to test-time interventions, and (iv) withstand demanding settings including out-of-distribution scenarios, limited training data regimes, and scarce concept supervisions.
Abstract:Deep learning methods are highly accurate, yet their opaque decision process prevents them from earning full human trust. Concept-based models aim to address this issue by learning tasks based on a set of human-understandable concepts. However, state-of-the-art concept-based models rely on high-dimensional concept embedding representations which lack a clear semantic meaning, thus questioning the interpretability of their decision process. To overcome this limitation, we propose the Deep Concept Reasoner (DCR), the first interpretable concept-based model that builds upon concept embeddings. In DCR, neural networks do not make task predictions directly, but they build syntactic rule structures using concept embeddings. DCR then executes these rules on meaningful concept truth degrees to provide a final interpretable and semantically-consistent prediction in a differentiable manner. Our experiments show that DCR: (i) improves up to +25% w.r.t. state-of-the-art interpretable concept-based models on challenging benchmarks (ii) discovers meaningful logic rules matching known ground truths even in the absence of concept supervision during training, and (iii), facilitates the generation of counterfactual examples providing the learnt rules as guidance.
Abstract:Knowledge Graph Embeddings (KGE) have become a quite popular class of models specifically devised to deal with ontologies and graph structure data, as they can implicitly encode statistical dependencies between entities and relations in a latent space. KGE techniques are particularly effective for the biomedical domain, where it is quite common to deal with large knowledge graphs underlying complex interactions between biological and chemical objects. Recently in the literature, the PharmKG dataset has been proposed as one of the most challenging knowledge graph biomedical benchmark, with hundreds of thousands of relational facts between genes, diseases and chemicals. Despite KGEs can scale to very large relational domains, they generally fail at representing more complex relational dependencies between facts, like logic rules, which may be fundamental in complex experimental settings. In this paper, we exploit logic rules to enhance the embedding representations of KGEs on the PharmKG dataset. To this end, we adopt Relational Reasoning Network (R2N), a recently proposed neural-symbolic approach showing promising results on knowledge graph completion tasks. An R2N uses the available logic rules to build a neural architecture that reasons over KGE latent representations. In the experiments, we show that our approach is able to significantly improve the current state-of-the-art on the PharmKG dataset. Finally, we provide an ablation study to experimentally compare the effect of alternative sets of rules according to different selection criteria and varying the number of considered rules.
Abstract:Neural-symbolic AI (NeSy) allows neural networks to exploit symbolic background knowledge in the form of logic. It has been shown to aid learning in the limited data regime and to facilitate inference on out-of-distribution data. Probabilistic NeSy focuses on integrating neural networks with both logic and probability theory, which additionally allows learning under uncertainty. A major limitation of current probabilistic NeSy systems, such as DeepProbLog, is their restriction to finite probability distributions, i.e., discrete random variables. In contrast, deep probabilistic programming (DPP) excels in modelling and optimising continuous probability distributions. Hence, we introduce DeepSeaProbLog, a neural probabilistic logic programming language that incorporates DPP techniques into NeSy. Doing so results in the support of inference and learning of both discrete and continuous probability distributions under logical constraints. Our main contributions are 1) the semantics of DeepSeaProbLog and its corresponding inference algorithm, 2) a proven asymptotically unbiased learning algorithm, and 3) a series of experiments that illustrate the versatility of our approach.
Abstract:Safe Reinforcement learning (Safe RL) aims at learning optimal policies while staying safe. A popular solution to Safe RL is shielding, which uses a logical safety specification to prevent an RL agent from taking unsafe actions. However, traditional shielding techniques are difficult to integrate with continuous, end-to-end deep RL methods. To this end, we introduce Probabilistic Logic Policy Gradient (PLPG). PLPG is a model-based Safe RL technique that uses probabilistic logic programming to model logical safety constraints as differentiable functions. Therefore, PLPG can be seamlessly applied to any policy gradient algorithm while still providing the same convergence guarantees. In our experiments, we show that PLPG learns safer and more rewarding policies compared to other state-of-the-art shielding techniques.
Abstract:Deploying AI-powered systems requires trustworthy models supporting effective human interactions, going beyond raw prediction accuracy. Concept bottleneck models promote trustworthiness by conditioning classification tasks on an intermediate level of human-like concepts. This enables human interventions which can correct mispredicted concepts to improve the model's performance. However, existing concept bottleneck models are unable to find optimal compromises between high task accuracy, robust concept-based explanations, and effective interventions on concepts -- particularly in real-world conditions where complete and accurate concept supervisions are scarce. To address this, we propose Concept Embedding Models, a novel family of concept bottleneck models which goes beyond the current accuracy-vs-interpretability trade-off by learning interpretable high-dimensional concept representations. Our experiments demonstrate that Concept Embedding Models (1) attain better or competitive task accuracy w.r.t. standard neural models without concepts, (2) provide concept representations capturing meaningful semantics including and beyond their ground truth labels, (3) support test-time concept interventions whose effect in test accuracy surpasses that in standard concept bottleneck models, and (4) scale to real-world conditions where complete concept supervisions are scarce.