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Social Aspects/Accountability, Transparency and Interpretability

Mateo Espinosa Zarlenga, Katie Collins, Krishnamurthy Dvijotham, Adrian Weller, Zohreh Shams, Mateja Jamnik

Concept Bottleneck Models (CBMs) tackle the opacity of neural architectures by constructing and explaining their predictions using a set of high-level concepts. A special property of these models is that they permit concept interventions, wherein users can correct mispredicted concepts and thus improve the model's performance. Recent work, however, has shown that intervention efficacy can be highly dependent on the order in which concepts are intervened on and on the model's architecture and training hyperparameters. We argue that this is rooted in a CBM's lack of train-time incentives for the model to be appropriately receptive to concept interventions. To address this, we propose Intervention-aware Concept Embedding models (IntCEMs), a novel CBM-based architecture and training paradigm that improves a model's receptiveness to test-time interventions. Our model learns a concept intervention policy in an end-to-end fashion from where it can sample meaningful intervention trajectories at train-time. This conditions IntCEMs to effectively select and receive concept interventions when deployed at test-time. Our experiments show that IntCEMs significantly outperform state-of-the-art concept-interpretable models when provided with test-time concept interventions, demonstrating the effectiveness of our approach.

Social Aspects/Accountability, Transparency and Interpretability

Fraser Mince, Dzung Dinh, Jonas Kgomo, Neil Thompson, Sara Hooker

Pushing the boundaries of machine learning often requires exploring different hardware and software combinations. However, this ability to experiment with different systems can be at odds with the drive for efficiency, which has produced increasingly specialized AI hardware and incentivized consolidation around a narrow set of ML frameworks. Exploratory research can be further restricted if software and hardware are co-evolving, making it even harder to stray away from a given tooling stack. While this friction increasingly impacts the rate of innovation in machine learning, to our knowledge the lack of portability in tooling has not been quantified. In this work we ask: How portable are popular ML software frameworks? We conduct a large scale study of the portability of mainstream ML frameworks across different hardware types. Our findings paint an uncomfortable picture -- frameworks can lose more than 40% of their key functions when ported to other hardware. Worse, even when functions are portable, the slowdown in their performance can be extreme. Collectively, our results reveal how costly straying from a narrow set of hardware-software combinations can be - and thus how specialization incurs an exploration cost that can impede innovation in machine learning research.

Social Aspects/Accountability, Transparency and Interpretability

Zi Wang, Alexander Ku, Jason Baldridge, Tom Griffiths, Been Kim

Understanding which concepts models can and cannot represent has been fundamental to many tasks: from effective and responsible use of models to detecting out of distribution data. We introduce Gaussian process probes (GPP), a unified and simple framework for probing and measuring uncertainty about concepts represented by models. As a Bayesian extension of linear probing methods, GPP asks what kind of distribution over classifiers (of concepts) is induced by the model. This distribution can be used to measure both what the model represents and how confident the probe is about what the model represents. GPP can be applied to any pre-trained model with vector representations of inputs (e.g., activations). It does not require access to training data, gradients, or the architecture. We validate GPP on datasets containing both synthetic and real images. Our experiments show it can (1) probe a model's representations of concepts even with a very small number of examples, (2) accurately measure both epistemic uncertainty (how confident the probe is) and aleatory uncertainty (how fuzzy the concepts are to the model), and (3) detect out of distribution data using those uncertainty measures as well as classic methods do. By using Gaussian processes to expand what probing can offer, GPP provides a data-efficient, versatile and uncertainty-aware tool for understanding and evaluating the capabilities of machine learning models.

Social Aspects/Accountability, Transparency and Interpretability

Devleena Das, Sonia Chernova, Been Kim

As more non-AI experts use complex AI systems for daily tasks, there has been an increasing effort to develop methods that produce explanations of AI decision making that are understandable by non-AI experts. Towards this effort, leveraging higher-level concepts and producing concept-based explanations have become a popular method. Most concept-based explanations have been developed for classification techniques, and we posit that the few existing methods for sequential decision making are limited in scope. In this work, we first contribute a desiderata for defining ``concepts'' in sequential decision making settings. Additionally, inspired by the Protege Effect which states explaining knowledge often reinforces one's self-learning, we explore how concept-based explanations of an RL agent's decision making can in turn improve the agent's learning rate, as well as improve end-user understanding of the agent's decision making. To this end, we contribute a unified framework, State2Explanation (S2E), that involves learning a joint embedding model between state-action pairs and concept-based explanations, and leveraging such learned model to both (1) inform reward shaping during an agent's training, and (2) provide explanations to end-users at deployment for improved task performance. Our experimental validations, in Connect 4 and Lunar Lander, demonstrate the success of S2E in providing a dual-benefit, successfully informing reward shaping and improving agent learning rate, as well as significantly improving end user task performance at deployment time.

Social Aspects/Accountability, Transparency and Interpretability

Jaroslaw Blasiok, Parikshit Gopalan, Lunjia Hu, Preetum Nakkiran

Optimizing proper loss functions is popularly believed to yield predictors with good calibration properties; the intuition being that for such losses, the global optimum is to predict the ground-truth probabilities, which is indeed calibrated. However, typical machine learning models are trained to approximately minimize loss over restricted families of predictors, that are unlikely to contain the ground truth. Under what circumstances does optimizing proper loss over a restricted family yield calibrated models? What precise calibration guarantees does it give? In this work, we provide a rigorous answer to these questions. We replace the global optimality with a local optimality condition stipulating that the (proper) loss of the predictor cannot be reduced much by post-processing its predictions with a certain family of Lipschitz functions. We show that any predictor with this local optimality satisfies smooth calibration as defined in [Kakade and Foster, 2008, Błasiok et al., 2023]. Local optimality is plausibly satisfied by well-trained DNNs, which suggests an explanation for why they are calibrated from proper loss minimization alone. Finally, we show that the connection between local optimality and calibration error goes both ways: nearly calibrated predictors are also nearly locally optimal.

Reinforcement Learning/Planning

Pulkit Verma, Rushang Karia, Siddharth Srivastava

It is essential for users to understand what their AI systems can and can't do in order to use them safely. However, the problem of enabling users to assess AI systems with sequential decision-making (SDM) capabilities is relatively understudied. This paper presents a new approach for modeling the capabilities of black-box AI systems that can plan and act, along with the possible effects and requirements for executing those capabilities in stochastic settings. We present an active-learning approach that can effectively interact with a black-box SDM system and learn an interpretable probabilistic model describing its capabilities. Theoretical analysis of the approach identifies the conditions under which the learning process is guaranteed to converge to the correct model of the agent; empirical evaluations on different agents and simulated scenarios show that this approach is few-shot generalizable and can effectively describe the capabilities of arbitrary black-box SDM agents in a sample-efficient manner.

Deep Learning/Generative Models and Autoencoders

Dihong Jiang, Sun Sun, Yaoliang Yu

Differential privacy (DP) has emerged as a rigorous notion to quantify data privacy. Subsequently, Renyi differential privacy (RDP) becomes an alternative to the ordinary DP notion in both theoretical and empirical studies, for its convenient compositional rules and flexibility. However, most mechanisms with DP (RDP) guarantees are essentially based on randomizing a fixed, finite-dimensional vector output. In this work, following Hall et al. (2013) we further extend RDP to functional outputs, where the output space can be infinite-dimensional, and develop all necessary tools, *e.g.*, (subsampled) Gaussian mechanism, composition, and post-processing rules, to facilitate its practical adoption. As an illustration, we apply functional RDP (f-RDP) to functions in the reproducing kernel Hilbert space (RKHS) to develop a differentially private generative model (DPGM), where training can be interpreted as iteratively releasing loss functions (in an RKHS) with DP (RDP) guarantees. Empirically, the new training paradigm achieves a significant improvement in privacy-utility trade-off compared to existing alternatives, especially when $\epsilon=0.2$. Our code is available at https://github.com/dihjiang/DP-kernel.

Social Aspects/Accountability, Transparency and Interpretability

Quentin Delfosse, Hikaru Shindo, Devendra Dhami, Kristian Kersting

The limited priors required by neural networks make them the dominating choice to encode and learn policies using reinforcement learning (RL). However, they are also black-boxes, making it hard to understand the agent's behavior, especially when working on the image level. Therefore, neuro-symbolic RL aims at creating policies that are interpretable in the first place.Unfortunately, interpretability is not explainability. To achieve both, we introduce Neurally gUided Differentiable loGic policiEs (NUDGE). NUDGE exploits trained neural network-based agents to guide the search of candidate-weighted logic rules, then uses differentiable logic to train the logic agents. Our experimental evaluation demonstrates that NUDGE agents can induce interpretable and explainable policies while outperforming purely neural ones and showing good flexibility to environments of different initial states and problem sizes.

Social Aspects/Accountability, Transparency and Interpretability

Yifan Zhang, Haowei He, Zhiquan Tan, Yang Yuan

In the current landscape of explanation methodologies, most predominant approaches, such as SHAP and LIME, employ removal-based techniques to evaluate the impact of individual features by simulating various scenarios with specific features omitted. Nonetheless, these methods primarily emphasize efficiency in the original context, often resulting in general inconsistencies. In this paper, we demonstrate that such inconsistency is an inherent aspect of these approaches by establishing the Impossible Trinity Theorem, which posits that interpretability, efficiency, and consistency cannot hold simultaneously. Recognizing that the attainment of an ideal explanation remains elusive, we propose the utilization of interpretation error as a metric to gauge inefficiencies and inconsistencies. To this end, we present two novel algorithms founded on the standard polynomial basis, aimed at minimizing interpretation error. Our empirical findings indicate that the proposed methods achieve a substantial reduction in interpretation error, up to 31.8 times lower when compared to alternative techniques.

Deep Learning/Generative Models and Autoencoders

Marco Bellagente, Manuel Brack, Hannah Teufel, Felix Friedrich, Björn Deiseroth, Constantin Eichenberg, Andrew Dai, Robert Baldock, Souradeep Nanda, Koen Oostermeijer 等

The recent popularity of text-to-image diffusion models (DM) can largely be attributed to the intuitive interface they provide to users. The intended generation can be expressed in natural language, with the model producing faithful interpretations of text prompts. However, expressing complex or nuanced ideas in text alone can be difficult. To ease image generation, we propose MultiFusion that allows one to express complex and nuanced concepts with arbitrarily interleaved inputs of multiple modalities and languages. MultiFusion leverages pre-trained models and aligns them for integration into a cohesive system, thereby avoiding the need for extensive training from scratch. Our experimental results demonstrate the efficient transfer of capabilities from individual modules to the downstream model. Specifically, the fusion of all independent components allows the image generation module to utilize multilingual, interleaved multimodal inputs despite being trained solely on monomodal data in a single language.

Deep Learning/Graph Neural Networks

Lukas Gosch, Simon Geisler, Daniel Sturm, Bertrand Charpentier, Daniel Zügner, Stephan Günnemann

Despite its success in the image domain, adversarial training did not (yet) stand out as an effective defense for Graph Neural Networks (GNNs) against graph structure perturbations. In the pursuit of fixing adversarial training (1) we show and overcome fundamental theoretical as well as practical limitations of the adopted graph learning setting in prior work; (2) we reveal that flexible GNNs based on learnable graph diffusion are able to adjust to adversarial perturbations, while the learned message passing scheme is naturally interpretable; (3) we introduce the first attack for structure perturbations that, while targeting multiple nodes at once, is capable of handling global (graph-level) as well as local (node-level) constraints. Including these contributions, we demonstrate that adversarial training is a state-of-the-art defense against adversarial structure perturbations.

Applications/Computer Vision

Joy Hsu, Jiayuan Mao, Josh Tenenbaum, Jiajun Wu

Recent works such as VisProg and ViperGPT have smartly composed foundation models for visual reasoning—using large language models (LLMs) to produce programs that can be executed by pre-trained vision-language models. However, they operate in limited domains, such as 2D images, not fully exploiting the generalization of language: abstract concepts like “*left*” can also be grounded in 3D, temporal, and action data, as in moving to your *left*. This limited generalization stems from these inference-only methods’ inability to learn or adapt pre-trained models to a new domain. We propose the **L**ogic-**E**nhanced **F**ounda**T**ion Model (**LEFT**), a unified framework that *learns* to ground and reason with concepts across domains with a differentiable, domain-independent, first-order logic-based program executor. LEFT has an LLM interpreter that outputs a program represented in a general, logic-based reasoning language, which is shared across all domains and tasks. LEFT’s executor then executes the program with trainable domain-specific grounding modules. We show that LEFT flexibly learns concepts in four domains: 2D images, 3D scenes, human motions, and robotic manipulation. It exhibits strong reasoning ability in a wide variety of tasks, including those that are complex and not seen during training, and can be easily applied to new domains.

Applications/Robotics

Zhiao Huang, Feng Chen, Yewen Pu, Chunru Lin, Hao Su, Chuang Gan

Combining gradient-based trajectory optimization with differentiable physics simulation is an efficient technique for solving soft-body manipulation problems.Using a well-crafted optimization objective, the solver can quickly converge onto a valid trajectory.However, writing the appropriate objective functions requires expert knowledge, making it difficult to collect a large set of naturalistic problems from non-expert users.We introduce DiffVL, a method that enables non-expert users to communicate soft-body manipulation tasks -- a combination of vision and natural language, given in multiple stages -- that can be readily leveraged by a differential physics solver. We have developed GUI tools that enable non-expert users to specify 100 tasks inspired by real-life soft-body manipulations from online videos, which we'll make public.We leverage large language models to translate task descriptions into machine-interpretable optimization objectives. The optimization objectives can help differentiable physics solvers to solve these long-horizon multistage tasks that are challenging for previous baselines.

Deep Learning/Self-Supervised Learning

Shengcao Cao, Dhiraj Joshi, Liangyan Gui, Yu-Xiong Wang

The human visual perception system demonstrates exceptional capabilities in learning without explicit supervision and understanding the part-to-whole composition of objects. Drawing inspiration from these two abilities, we propose Hierarchical Adaptive Self-Supervised Object Detection (HASSOD), a novel approach that learns to detect objects and understand their compositions without human supervision. HASSOD employs a hierarchical adaptive clustering strategy to group regions into object masks based on self-supervised visual representations, adaptively determining the number of objects per image. Furthermore, HASSOD identifies the hierarchical levels of objects in terms of composition, by analyzing coverage relations between masks and constructing tree structures. This additional self-supervised learning task leads to improved detection performance and enhanced interpretability. Lastly, we abandon the inefficient multi-round self-training process utilized in prior methods and instead adapt the Mean Teacher framework from semi-supervised learning, which leads to a smoother and more efficient training process. Through extensive experiments on prevalent image datasets, we demonstrate the superiority of HASSOD over existing methods, thereby advancing the state of the art in self-supervised object detection. Notably, we improve Mask AR from 20.2 to 22.5 on LVIS, and from 17.0 to 26.0 on SA-1B. Project page: https://HASSOD-NeurIPS23.github.io.

Applications/Neuroscience, Cognitive Science

Mitchell Ostrow, Adam Eisen, Leo Kozachkov, Ila Fiete

How can we tell whether two neural networks utilize the same internal processes for a particular computation? This question is pertinent for multiple subfields of neuroscience and machine learning, including neuroAI, mechanistic interpretability, and brain-machine interfaces. Standard approaches for comparing neural networks focus on the spatial geometry of latent states. Yet in recurrent networks, computations are implemented at the level of dynamics, and two networks performing the same computation with equivalent dynamics need not exhibit the same geometry. To bridge this gap, we introduce a novel similarity metric that compares two systems at the level of their dynamics, called Dynamical Similarity Analysis (DSA). Our method incorporates two components: Using recent advances in data-driven dynamical systems theory, we learn a high-dimensional linear system that accurately captures core features of the original nonlinear dynamics. Next, we compare different systems passed through this embedding using a novel extension of Procrustes Analysis that accounts for how vector fields change under orthogonal transformation. In four case studies, we demonstrate that our method disentangles conjugate and non-conjugate recurrent neural networks (RNNs), while geometric methods fall short. We additionally show that our method can distinguish learning rules in an unsupervised manner. Our method opens the door to comparative analyses of the essential temporal structure of computation in neural circuits.

Applications/Computer Vision

Ruiying Lu, YuJie Wu, Long Tian, Dongsheng Wang, Bo Chen, Xiyang Liu, Ruimin Hu

Unsupervised image Anomaly Detection (UAD) aims to learn robust and discriminative representations of normal samples. While separate solutions per class endow expensive computation and limited generalizability, this paper focuses on building a unified framework for multiple classes. Under such a challenging setting, popular reconstruction-based networks with continuous latent representation assumption always suffer from the "identical shortcut" issue, where both normal and abnormal samples can be well recovered and difficult to distinguish. To address this pivotal issue, we propose a hierarchical vector quantized prototype-oriented Transformer under a probabilistic framework. First, instead of learning the continuous representations, we preserve the typical normal patterns as discrete iconic prototypes, and confirm the importance of Vector Quantization in preventing the model from falling into the shortcut. The vector quantized iconic prototypes are integrated into the Transformer for reconstruction, such that the abnormal data point is flipped to a normal data point. Second, we investigate an exquisite hierarchical framework to relieve the codebook collapse issue and replenish frail normal patterns. Third, a prototype-oriented optimal transport method is proposed to better regulate the prototypes and hierarchically evaluate the abnormal score. By evaluating on MVTec-AD and VisA datasets, our model surpasses the state-of-the-art alternatives and possesses good interpretability. The code is available at https://github.com/RuiyingLu/HVQ-Trans.

Miscellaneous Aspects of Machine Learning/Causality

Saptarshi Roy, Raymond K. W. Wong, Yang Ni

Discovering causal relationship using multivariate functional data has received a significant amount of attention very recently. In this article, we introduce a functional linear structural equation model for causal structure learning when the underlying graph involving the multivariate functions may have cycles. To enhance interpretability, our model involves a low-dimensional causal embedded space such that all the relevant causal information in the multivariate functional data is preserved in this lower-dimensional subspace. We prove that the proposed model is causally identifiable under standard assumptions that are often made in the causal discovery literature. To carry out inference of our model, we develop a fully Bayesian framework with suitable prior specifications and uncertainty quantification through posterior summaries. We illustrate the superior performance of our method over existing methods in terms of causal graph estimation through extensive simulation studies. We also demonstrate the proposed method using a brain EEG dataset.

Applications/Computer Vision

Lin Li, Jun Xiao, Guikun Chen, Jian Shao, Yueting Zhuang, Long Chen

Pretrained vision-language models, such as CLIP, have demonstrated strong generalization capabilities, making them promising tools in the realm of zero-shot visual recognition. Visual relation detection (VRD) is a typical task that identifies relationship (or interaction) types between object pairs within an image. However, naively utilizing CLIP with prevalent class-based prompts for zero-shot VRD has several weaknesses, e.g., it struggles to distinguish between different fine-grained relation types and it neglects essential spatial information of two objects. To this end, we propose a novel method for zero-shot VRD: RECODE, which solves RElation detection via COmposite DEscription prompts. Specifically, RECODE first decomposes each predicate category into subject, object, and spatial components. Then, it leverages large language models (LLMs) to generate description-based prompts (or visual cues) for each component. Different visual cues enhance the discriminability of similar relation categories from different perspectives, which significantly boosts performance in VRD. To dynamically fuse different cues, we further introduce a chain-of-thought method that prompts LLMs to generate reasonable weights for different visual cues. Extensive experiments on four VRD benchmarks have demonstrated the effectiveness and interpretability of RECODE.

Social Aspects/Accountability, Transparency and Interpretability

Ziqian Zhong, Ziming Liu, Max Tegmark, Jacob Andreas

Do neural networks, trained on well-understood algorithmic tasks, reliably rediscover known algorithms? Several recent studies, on tasks ranging from group operations to in-context linear regression, have suggested that the answer is yes. Using modular addition as a prototypical problem, we show that algorithm discovery in neural networks is sometimes more complex: small changes to model hyperparameters and initializations can induce discovery of qualitatively different algorithms from a fixed training set, and even learning of multiple different solutions in parallel. In modular addition, we specifically show that models learn a known *Clock* algorithm, a previously undescribed, less intuitive, but comprehensible procedure we term the *Pizza* algorithm, and a variety of even more complex procedures. Our results show that even simple learning problems can admit a surprising diversity of solutions, motivating the development of new tools for mechanistically characterizing the behavior of neural networks across the algorithmic phase space.

Social Aspects/Fairness, Equity, Justice and Safety

Ben Chugg, Santiago Cortes-Gomez, Bryan Wilder, Aaditya Ramdas

We provide practical, efficient, and nonparametric methods for auditing the fairness of deployed classification and regression models. Whereas previous work relies on a fixed-sample size, our methods are sequential and allow for the continuous monitoring of incoming data, making them highly amenable to tracking the fairness of real-world systems. We also allow the data to be collected by a probabilistic policy as opposed to sampled uniformly from the population. This enables auditing to be conducted on data gathered for another purpose. Moreover, this policy may change over time and different policies may be used on different subpopulations. Finally, our methods can handle distribution shift resulting from either changes to the model or changes in the underlying population. Our approach is based on recent progress in anytime-valid inference and game-theoretic statistics---the ``testing by betting'' framework in particular. These connections ensure that our methods are interpretable, fast, and easy to implement. We demonstrate the efficacy of our approach on three benchmark fairness datasets.