Deep neural networks often exploit spurious associations, a failure known as shortcut learning. Auditing for shortcuts requires testing many candidate concepts, such as acquisition settings or demographics. Current concept-based explainability methods test one concept at a time, asking whether it is decodable from a layer. These methods flag concepts that are merely correlated with the outcome or with each other, and their scores are not comparable across layers or concept types. We introduce ICON decomposition, which quantifies how much of a layer's variance each concept explains given all other concepts and the outcome, and how much none of them explains, yielding layer-comparable, calibrated scores that suppress false positives. On simulated data, ICON recovers concept importance more accurately than seven existing methods. On skin-cancer models with inserted artifacts, it detects induced shortcuts where baselines report false positives. On two brain-imaging models, ICON's sparse explanations are validated by retraining and out-of-distribution tests.
Roshan Prakash Rane, Marco Simnacher, Manuel Pfeuffer et al.· 0 citations
Masked prediction learns by inferring missing variables from visible context. This raises a fundamental question: when does near-optimal conditional prediction determine the joint data law? We study this via an $\varepsilon$-identifiability modulus measuring the largest joint-law error compatible with masked-prediction excess risk at most $\varepsilon$. For slow-mixing data laws with separated global modes, we show that a model can assign substantially incorrect probabilities to entire data regimes while incurring exponentially small excess risk. An exact information decomposition reveals why: for a fixed mask, the prediction loss detects only the portion of the mode-weight mismatch that the visible context leaves unresolved. For small mode-weight perturbations, this sensitivity is proportional to residual mode uncertainty. Once averaged over masks, this residual uncertainty governs the objective's sensitivity to global mode frequencies, with low-visibility masks restoring mode-weight sensitivity and positive full-mask mass providing universal joint-law control under the joint conditional objective. We provide computational and empirical evidence for these predictions through exact calculations, controlled optimization experiments, and measurements on natural text. More broadly, our study suggests that a predictive objective can identify global distinctions only insofar as its conditioning structure leaves them unresolved.
Synthetic sequential tabular data are increasingly used for privacy-preserving data sharing and research, yet conventional tabular metrics often overlook temporal structure. Existing single-table and relational evaluation protocols largely collapse records into static distributions, leaving key temporal properties insufficiently evaluated. We introduce Seq2Synth, a unified benchmark for assessing these properties. Its taxonomy characterizes temporal and schema properties to determine applicable evaluations, covering timestamp, cross-sectional, longitudinal, and structural fidelity, alongside trajectory-aware utility and privacy. Across seven core datasets from a 13-dataset benchmark and eight generators, models with near-perfect static fidelity still violate basic temporal constraints, producing duplicate timestamps, irregular intervals, and incomplete observation grids. Moreover, static and temporal-aware rankings diverge substantially, showing that temporal fidelity must be evaluated directly rather than inferred from static or relational scores. Project page and online appendices are available at: https://seq2synth.github.io/.
Kiwan Kwon, Kangmin Kim, Hojin Lee et al.· 0 citations
Reduced-order modeling of high-dimensional dynamical systems is often hindered by closure effects arising from unresolved variables, which can introduce non-Markovian dependence into the resolved dynamics. Motivated by the history-dependent memory term arising in the Mori--Zwanzig formalism, we recast non-Markovian closure modeling as a sequence modeling problem and propose the Mamba-Assisted Closure (MAC) framework. MAC employs a Mamba-based sequence model to predict the closure from the resolved trajectory and couples the learned closure with the reduced-order governing equations through a numerical integrator to advance the resolved variables in time. During training, the selective scan mechanism in Mamba enables efficient parallel sequence processing with linear scaling in sequence length, while autoregressive inference proceeds through recurrent state updates at essentially constant per-step cost. We evaluate MAC on four benchmark systems with complementary characteristics: the viscous Burgers' equation, the chaotic two-scale Lorenz '96 system, the 3-bus DeMarco--Zheng power-grid system, and the dispersive Korteweg--de Vries equation. Across these benchmarks, MAC consistently improves predictive accuracy and long-time rollout stability relative to the comparison models, demonstrating an effective and computationally scalable approach to non-Markovian closure modeling.
Foundation models of brain activity promise a new frontier for in silico neuroscience by emulating neural responses to complex stimuli across tasks and modalities. A natural next step is to ask whether these models can also be used in reverse. Can we recover a stimulus or its properties from synthetic brain activity? We study this question in a proof-of-concept setting using TRIBEv2. We pair the brain emulator with large language models (LLMs) that generate news headlines from linguistic parameters such as valence, arousal, and dominance. We then use simulation-based inference to learn a probabilistic mapping from brain maps to latent stimulus parameters. Our results show that these parameters can be recovered from predicted brain maps, demonstrating that the emulator's synthetic neural encodings preserve information about the controlled stimulus dimensions. They also show that LLMs can serve as controllable stimulus generators for simulated experiments. Together, these findings provide a step toward decoding and inverse design with foundation brain models.
Niels Leif Bracher, Xavier Intes, Stefan T. Radev· 0 citations
Time Series Foundation Models (TSFMs) leverage extensive pretraining to accurately predict unseen time series during inference, without the need for task-specific fine-tuning. Through large-scale evaluations on standard benchmarks, we find that leading transformer-based TSFMs exhibit redundant components in their intermediate layers. We introduce a set of tools for mechanistic interpretability of TSFMs, including ablations of specific components and direct logit attribution on the residual stream. Our findings are consistent across several leading TSFMs with diverse architectures, and across a diverse set of real-world and synthetic time-series datasets. We discover that all models in our study are robust to ablations of entire layers. Furthermore, we develop a theoretical framework framing transformers as kernel regressors, motivating a purely intrinsic strategy for ablating heads based on the stable rank of the per-head projection matrices. Using this approach, we uncover the specific heads responsible for degenerate phenomena widely observed in TSFMs, such as parroting of motifs from the context and seasonality bias. Our study sheds light on the universal properties of this emerging class of architectures for continuous-time sequence modeling.
Anthony Bao, Venkata Hasith Vattikuti, Jeffrey Lai et al.· 0 citations
Graph Neural Networks (GNNs) have achieved remarkable success across a range of learning tasks. However, scaling GNNs to large graphs remains a significant challenge, especially for graph-level tasks. In this work, we introduce SHAKE-GNN, a novel scalable graph-level GNN framework based on a hierarchy of Kirchhoff Forests, a class of random spanning forests used to construct stochastic multi-resolution decompositions of graphs. SHAKE-GNN produces multi-scale representations, enabling flexible trade-offs between efficiency and performance. We introduce an improved, data-driven strategy for selecting the trade-off parameter and analyse the time-complexity of SHAKE-GNN. Experimental results on multiple large-scale graph classification benchmarks demonstrate that SHAKE-GNN achieves competitive performance while offering improved scalability.
The attention mechanism lies at the core of the transformer architecture, providing an interpretable model-internal signal that has motivated a growing interest in attention-based model explanations. Although attention weights do not directly determine model outputs, they reflect patterns of token influence that can inform and complement established explainability techniques. This work studies the potential of utilising the information encoded in attention weights to provide meaningful model explanations by integrating them into explainable AI (XAI) frameworks that target fundamentally different aspects of model behaviour. To this end, we develop two novel explanation methods applicable to both natural language processing and computer vision tasks. The first integrates attention weights into the Shapley value decomposition by redefining the characteristic function in terms of pairwise token interactions via attention weights, thus adapting this widely used game-theoretic solution concept to provide attention-driven attributions for local explanations. The second incorporates attention weights into token-level directional derivatives defined through concept activation vectors to measure concept sensitivity for global explanations. Our empirical evaluations on standard benchmarks and in a comparison study with widely used explanation methods show that attention weights can be meaningfully incorporated into the studied XAI frameworks, highlighting their value in enriching transformer explainability.
Marte Eggen, Jacob Lysn{\ae}s-Larsen, Inga Str\"umke· 0 citations
Amortized inference is the task of training a parametric model, such as a neural network, to approximate a distribution with a given unnormalized density where exact sampling is intractable. When sampling is implemented as a sequential decision-making process, reinforcement learning (RL) methods, such as generative flow networks, can be used to train the sampling policy. Off-policy RL training facilitates the discovery of diverse, high-reward candidates, but existing methods still face challenges in efficient exploration. We propose to use an adaptive training distribution (the \teacher) to guide the training of the primary amortized sampler (the \student). The \teacher, an auxiliary behavior model, is trained to sample high-loss regions of the \student and can generalize across unexplored modes, thereby enhancing mode coverage by providing an efficient training curriculum. We validate the effectiveness of this approach in a synthetic environment designed to present an exploration challenge, two diffusion-based sampling tasks, and four biochemical discovery tasks demonstrating its ability to improve sample efficiency and mode coverage. Source code is available at https://github.com/alstn12088/adaptive-teacher.
Minsu Kim, Sanghyeok Choi, Taeyoung Yun et al.· 0 citations
Despite the extreme popularity of deep learning in science and industry, its formal understanding is limited. This thesis puts forth notions of rank as key for developing a theory of deep learning, focusing on the fundamental aspects of generalization and expressiveness. In particular, we establish that gradient-based training can induce an implicit regularization towards low rank for several neural network architectures, and demonstrate empirically that this phenomenon may facilitate an explanation of generalization over natural data (e.g., audio, images, and text). Then, we characterize the ability of graph neural networks to model interactions via a notion of rank, which is commonly used for quantifying entanglement in quantum physics. A central tool underlying these results is a connection between neural networks and tensor factorizations. Practical implications of our theory for designing explicit regularization schemes and data preprocessing algorithms are presented.
We present a new algorithm for amortized inference in sparse probabilistic graphical models (PGMs), which we call $\Delta$-amortized inference ($\Delta$-AI). Our approach is based on the observation that when the sampling of variables in a PGM is seen as a sequence of actions taken by an agent, sparsity of the PGM enables local credit assignment in the agent's policy learning objective. This yields a local constraint that can be turned into a local loss in the style of generative flow networks (GFlowNets) that enables off-policy training but avoids the need to instantiate all the random variables for each parameter update, thus speeding up training considerably. The $\Delta$-AI objective matches the conditional distribution of a variable given its Markov blanket in a tractable learned sampler, which has the structure of a Bayesian network, with the same conditional distribution under the target PGM. As such, the trained sampler recovers marginals and conditional distributions of interest and enables inference of partial subsets of variables. We illustrate $\Delta$-AI's effectiveness for sampling from synthetic PGMs and training latent variable models with sparse factor structure.
Jean-Pierre Falet, Hae Beom Lee, Esmeralda S. Whitammer et al.· 0 citations
This paper builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically used to model distributions over continuous spaces, and generative flow networks (GFlowNets), which have been used for distributions over discrete structures such as graphs. We demonstrate that, in certain cases, VI algorithms are equivalent to special cases of GFlowNets in the sense of equality of expected gradients of their learning objectives. We then point out the differences between the two families and show how these differences emerge experimentally. Notably, GFlowNets, which borrow ideas from reinforcement learning, are more amenable than VI to off-policy training without the cost of high gradient variance induced by importance sampling. We argue that this property of GFlowNets can provide advantages for capturing diversity in multimodal target distributions.
Esmeralda S. Whitammer, Salem Lahlou, Tristan Deleu et al.· 0 citations
