Transfer entropy measures directed information flow in time series, and it has become a fundamental quantity in applications spanning neuroscience, finance, and complex systems analysis. However, existing estimation methods suffer from the curse of dimensionality, require restrictive distributional assumptions, or need exponentially large datasets for reliable convergence. We address these limitations in the literature by proposing TENDE (Transfer Entropy Neural Diffusion Estimation), a novel approach that leverages score-based diffusion models to estimate transfer entropy through conditional mutual information. By learning score functions of the relevant conditional distributions, TENDE provides flexible, scalable estimation while making minimal assumptions about the underlying data-generating process. We demonstrate superior accuracy and robustness compared to existing neural estimators and other state-of-the-art approaches across synthetic benchmarks and real data.

Aligning large language models with human feedback at inference time has received increasing attention due to its flexibility. Existing methods rely on generating multiple responses from the base policy for search using a reward model, which can be considered as searching in a discrete response space. However, these methods struggle to explore informative candidates when the base policy is weak or the candidate set is small, resulting in limited effectiveness. In this paper, to address this problem, we propose Simple Energy Adaptation ($\textbf{SEA}$), a simple yet effective algorithm for inference-time alignment. In contrast to expensive search over the discrete space, SEA directly adapts original responses from the base policy toward the optimal one via gradient-based sampling in continuous latent space. Specifically, SEA formulates inference as an iterative optimization procedure on an energy function over actions in the continuous space defined by the optimal policy, enabling simple and effective alignment. For instance, despite its simplicity, SEA outperforms the second-best baseline with a relative improvement of up to $ \textbf{77.51%}$ on AdvBench and $\textbf{16.36%}$ on MATH. Our code is publicly available at https://github.com/yuanyige/sea

Reliably characterizing the full conditional distribution of a multivariate response variable given a set of covariates is crucial for trustworthy decision-making. However, misspecified or miscalibrated multivariate models may yield a poor approximation of the joint distribution of the response variables, leading to unreliable predictions and suboptimal decisions. Furthermore, standard recalibration methods are primarily limited to univariate settings, while conformal prediction techniques, despite generating multivariate prediction regions with coverage guarantees, do not provide a full probability density function. We address this gap by first introducing a novel notion of latent calibration, which assesses probabilistic calibration in the latent space of a conditional normalizing flow. Second, we propose latent recalibration (LR), a novel post-hoc model recalibration method that learns a transformation of the latent space with finite-sample bounds on latent calibration. Unlike existing methods, LR produces a recalibrated distribution with an explicit multivariate density function while remaining computationally efficient. Extensive experiments on both tabular and image datasets show that LR consistently improves latent calibration error and the negative log-likelihood of the recalibrated models.

Clustering tabular data remains a significant open challenge in data analysis and machine learning. Unlike for image data, similarity between tabular records often varies across datasets, making the definition of clusters highly dataset-dependent. Furthermore, the absence of supervised signals complicates hyperparameter tuning in deep learning clustering methods, frequently resulting in unstable performance. To address these issues and reduce the need for per-dataset tuning, we adopt an emerging approach in deep learning: zero-shot learning. We propose ZEUS, a self-contained model capable of clustering new datasets without any additional training or fine-tuning. It operates by decomposing complex datasets into meaningful components that can then be clustered effectively. Thanks to pre-training on synthetic datasets generated from a latent-variable prior, it generalizes across various datasets without requiring user intervention. To the best of our knowledge, ZEUS is the first zero-shot method capable of generating embeddings for tabular data in a fully unsupervised manner. Experimental results demonstrate that it performs on par with or better than traditional clustering algorithms and recent deep learning-based methods, while being significantly faster and more user-friendly.

Many domain experts do not have the time or expertise to write formal Bayesian models. This paper takes an informal problem description as input, and combines a large language model and a probabilistic programming language to define a joint distribution over formal models, latent variables, and data. A posterior over latent variables follows by conditioning on observed data and integrating over formal models. This presents a challenging inference problem. We suggest an inference recipe that amounts to generating many formal models from the large language model, performing approximate inference on each, and then doing a weighted average. This is justified and analyzed as a combination of self-normalized importance sampling, MCMC, and importance-weighted variational inference. Experimentally, this produces sensible predictions from only data and an informal problem description, without the need to specify a formal model.

Although Shapley additive explanations (SHAP) can be computed in polynomial time for simple models like decision trees, they unfortunately become NP-hard to compute for more expressive black-box models like neural networks - where generating explanations is often most critical. In this work, we analyze the problem of computing SHAP explanations for *Tensor Networks (TNs)*, a broader and more expressive class of models than those for which current exact SHAP algorithms are known to hold, and which is widely used for neural network abstraction and compression. First, we introduce a general framework for computing provably exact SHAP explanations for general TNs with arbitrary structures. Interestingly, we show that, when TNs are restricted to a *Tensor Train (TT)* structure, SHAP computation can be performed in *poly-logarithmic* time using *parallel* computation. Thanks to the expressiveness power of TTs, this complexity result can be generalized to many other popular ML models such as decision trees, tree ensembles, linear models, and linear RNNs, therefore tightening previously reported complexity results for these families of models. Finally, by leveraging reductions of binarized neural networks to Tensor Network representations, we demonstrate that SHAP computation can become *efficiently tractable* when the network's *width* is fixed, while it remains computationally hard even with constant *depth*. This highlights an important insight: for this class of models, width - rather than depth - emerges as the primary computational bottleneck in SHAP computation.

Biological and artificial learners are inherently exposed to a stream of data and experience throughout their lifetimes and must constantly adapt to, learn from, or selectively ignore the ongoing input. Recent findings reveal that, even when the performance remains stable, the underlying neural representations can change gradually over time, a phenomenon known as representational drift. Studying the different sources of data and noise that may contribute to drift is essential for understanding lifelong learning in neural systems. However, a systematic study of drift across architectures and learning rules, and the connection to task, are missing. Here, in an online learning setup, we characterize drift as a function of data distribution, and specifically show that the learning noise induced by task-irrelevant stimuli, which the agent learns to ignore in a given context, can create long-term drift in the representation of task-relevant stimuli. Using theory and simulations, we demonstrate this phenomenon both in Hebbian-based learning -- Oja's rule and Similarity Matching -- and in stochastic gradient descent applied to autoencoders and a supervised two-layer network. We consistently observe that the drift rate increases with the variance and the dimension of the data in the task-irrelevant subspace. We further show that this yields different qualitative predictions for the geometry and dimension-dependency of drift than those arising from Gaussian synaptic noise. Overall, our study links the structure of stimuli, task, and learning rule to representational drift and could pave the way for using drift as a signal for uncovering underlying computation in the brain.

Lexical data collection in language documentation often contains transcription errors and undocumented borrowings that can mislead linguistic analysis. We present unsupervised anomaly detection methods to identify phono-tactic inconsistencies in wordlists, applying them to a multilingual dataset of Kokborok varieties with Bangla. Using character-level and syllable-level phonotactic features, our algorithms identify potential transcription errors and borrowings. While precision and recall remain modest due to the subtle nature of these anomalies, syllable-aware features significantly outperform character-level baselines. The high-recall approach provides fieldworkers with a systematic method to flag entries requiring verification, supporting data quality improvement in low-resourced language documentation.

Probes trained on model activations can detect undesirable behaviors like deception or biases that are difficult to identify from outputs alone. This makes them useful detectors to identify misbehavior. Furthermore, they are also valuable training signals, since they not only reward outputs, but also good internal processes for arriving at that output. However, training against interpretability tools raises a fundamental concern: when a monitor becomes a training target, it may cease to be reliable (Goodhart's Law). We propose two methods for training against probes based on Supervised Fine-tuning and Direct Preference Optimization. We conduct an initial exploration of these methods in a testbed for reducing toxicity and evaluate the amount by which probe accuracy drops when training against them. To retain the accuracy of probe-detectors after training, we attempt (1) to train against an ensemble of probes, (2) retain held-out probes that aren't used for training, and (3) retrain new probes after training. First, probe-based preference optimization unexpectedly preserves probe detectability better than classifier-based methods, suggesting the preference learning objective incentivizes maintaining rather than obfuscating relevant representations. Second, probe diversity provides minimal practical benefit - simply retraining probes after optimization recovers high detection accuracy. Our findings suggest probe-based training can be viable for certain alignment methods, though probe ensembles are largely unnecessary when retraining is feasible.

Estimating heterogeneous treatment effects in network settings is complicated by interference, meaning that the outcome of an instance can be influenced by the treatment status of others. Existing causal machine learning approaches usually assume a known exposure mapping that summarizes how the outcome of a given instance is influenced by others' treatment, a simplification that is often unrealistic. Furthermore, the interaction between homophily -- the tendency of similar instances to connect -- and the treatment assignment mechanism can induce a network-level covariate shift that may lead to inaccurate treatment effect estimates, a phenomenon that has not yet been explicitly studied. To address these challenges, we propose HINet, a novel method that integrates graph neural networks with domain adversarial training. This combination allows estimating treatment effects under unknown exposure mappings while mitigating the impact of (network-level) covariate shift. An extensive empirical evaluation on synthetic and semi-synthetic network datasets demonstrates the effectiveness of our approach.