Concept erasure aims to remove unwanted attributes, such as social or demographic factors, from learned representations, while preserving their task-relevant utility. While the goal of concept erasure is protection against all adversaries, existing methods remain vulnerable to nonlinear ones. This vulnerability arises from their failure to fully capture the complex, nonlinear statistical dependencies between learned representations and unwanted attributes. Moreover, although the existence of a trade-off between utility and erasure is expected, its progression during the erasure process, i.e., the cost of erasure, remains unstudied. In this work, we introduce Obliviator, a post-hoc erasure method designed to fully capture nonlinear statistical dependencies.

Variational inference (VI) is a popular approach in Bayesian inference, that looks for the best approximation of the posterior distribution within a parametric family, minimizing a loss that is typically the (reverse) Kullback-Leibler (KL) divergence. In this paper, we focus on the following parametric family: mixtures of isotropic Gaussians (i.e., with diagonal covariance matrices proportional to the identity) and uniform weights. We develop a variational framework and provide efficient algorithms suited for this family. In contrast with mixtures of Gaussian with generic covariance matrices, this choice presents a balance between accurate approximations of multimodal Bayesian posteriors, while being memory and computationally efficient. Our algorithms implement gradient descent on the location of the mixture components (the modes of the Gaussians), and either (an entropic) Mirror or Bures descent on their variance parameters. We illustrate the performance of our algorithms on numerical experiments.

However, these methods often suffer from a significant one-step bias, which may lead to convergence towards local optima and poor performance in complex or high-dimensional tasks. Recently, Black-Box Optimization (BBO) has achieved success across various scientific and engineering domains, particularly when function evaluations are costly and gradients are unavailable. Motivated by this, we propose the Reinforced EnergyBased Model for Bayesian Optimization (REBMBO), which integrates Gaussian Processes (GP) for local guidance with an Energy-Based Model (EBM) to capture global structural information. Notably, we define each Bayesian Optimization iteration as a Markov Decision Process (MDP) and use Proximal Policy Optimization (PPO) for adaptive multi-step lookahead, dynamically adjusting the depth and direction of exploration to effectively overcome the limitations of traditional BO methods. We conduct extensive experiments on synthetic and real-world benchmarks, confirming the superior performance of REBMBO.

Variational inference seeks the best approximation of a target distribution within a chosen family, where "best" means minimising Kullback-Leibler divergence. When the approximation family is exponential, the optimal approximation satisfies a fixed-point equation. We introduce LSVI (Least Squares Variational Inference), a gradient-free, Monte Carlo-based scheme for the fixed-point recursion, where each iteration boils down to performing ordinary least squares regression on tempered log-target evaluations under the variational approximation. We show that LSVI is equivalent to biased stochastic natural gradient descent and use this to derive convergence rates with respect to the numbers of samples and iterations. When the approximation family is Gaussian, LSVI involves inverting the Fisher information matrix, whose size grows quadratically with dimension d. We exploit the regression formulation to eliminate the need for this inversion, yielding O(d3) complexity in the full-covariance case and O(d) in the mean-field case. Finally, we numerically demonstrate LSVI's performance on various tasks, including logistic regression, discrete variable selection, and Bayesian synthetic likelihood, showing results competitive with state-of-the-art methods, even when gradients are unavailable.

Dynamic GNNs, which integrate temporal and spatial features in Electroencephalography (EEG) data, have shown great potential in automating seizure detection. However, fully capturing the underlying dynamics necessary to represent brain states, such as seizure and non-seizure, remains a non-trivial task and presents two fundamental challenges. First, most existing dynamic GNN methods are built on temporally fixed static graphs, which fail to reflect the evolving nature of brain connectivity during seizure progression. Second, current efforts to jointly model temporal signals and graph structures and, more importantly, their interactions remain nascent, often resulting in inconsistent performance. To address these challenges, we present the first theoretical analysis of these two problems, demonstrating the effectiveness and necessity of explicit dynamic modeling and time-then-graph dynamic GNN method. Building on these insights, we propose EvoBrain, a novel seizure detection model that integrates a two-stream Mamba architecture with a GCN enhanced by Laplacian Positional Encoding, following neurological insights. Moreover, EvoBrainincorporates explicitly dynamic graph structures, allowing both nodes and edges to evolve over time. Our contributions include (a) a theoretical analysis proving the expressivity advantage of explicit dynamic modeling and time-then-graph over other approaches, (b) a novel and efficient model that significantly improves AUROC by 23% and F1 score by 30%, compared with the dynamic GNN baseline, and (c) broad evaluations of our method on the challenging early seizure prediction task.

Multilayer perceptrons (MLPs) are an integral part of large language models, yet their dense representations render them difficult to understand, edit, and steer. Recent methods learn interpretable approximations via neuron-level sparsity, yet fail to faithfully reconstruct the original mapping-significantly increasing model's next-token cross-entropy loss. In this paper, we advocate for moving to layer-level sparsity to overcome the accuracy trade-off in sparse layer approximation. Under this paradigm, we introduce Mixture of Decoders (MxDs). MxDs generalize MLPs and Gated Linear Units, expanding pre-trained dense layers into tens of thousands of specialized sublayers. Through a flexible form of tensor factorization, each sparsely activating MxD sublayer implements a linear transformation with fullrank weights-preserving the original decoders' expressive capacity even under heavy sparsity. Experimentally, we show that MxDs significantly outperform state-of-the-art methods (e.g., Transcoders) on the sparsity-accuracy frontier in language models with up to 3B parameters. Further evaluations on sparse probing and feature steering demonstrate that MxDs learn similarly specialized features of natural language-opening up a promising new avenue for designing interpretable yet faithful decompositions. Our code is included at: https://github.com/

We propose a framework to convert (ε,δ)-approximate Differential Privacy (DP) mechanisms into (ε,0)-pure DP mechanisms under certain conditions, a process we call "purification." This algorithmic technique leverages randomized postprocessing with calibrated noise to eliminate the δ parameter while achieving nearoptimal privacy-utility tradeoff for pure DP. It enables a new design strategy for pure DP algorithms: first run an approximate DP algorithm with certain conditions, and then purify. This approach allows one to leverage techniques such as strong composition and propose-test-release that require δ > 0 in designing pure-DP methods with δ = 0. We apply this framework in various settings, including Differentially Private Empirical Risk Minimization (DP-ERM), stability-based release, and query release tasks. To the best of our knowledge, this is the first work with a statistically and computationally efficient reduction from approximate DP to pure DP. Finally, we illustrate the use of this reduction for proving lower bounds under approximate DP constraints with explicit dependence in δ, avoiding the sophisticated fingerprinting code construction.

Humans understand visual scenes by first capturing a global impression and then refining this understanding into distinct, object-like components. Inspired by this process, we introduce Concept-Guided Self-Supervised Learning (CG-SSL), a novel framework that brings structure and interpretability to representation learning through a curriculum of three training phases: (1) global scene encoding, (2) discovery of visual concepts via tokenised cross-attention, and (3) alignment of these concepts across views. Unlike traditional SSL methods, which simply enforce similarity between multiple augmented views of the same image, CG-SSL accounts for the fact that these views may highlight different parts of an object or scene. To address this, our method establishes explicit correspondences between views and aligns the representations of meaningful image regions. At its core, CG-SSL augments standard SSL with a lightweight decoder that learns and refines concept tokens via cross-attention with patch features. The concept tokens are trained using masked concept distillation and a feature-space reconstruction objective. A final alignment stage enforces view consistency by geometrically matching concept regions under heavy augmentation, enabling more compact, robust, and disentangled representations of scene regions. Across multiple backbone sizes, CGSSL achieves state-of-the-art results on image segmentation benchmarks using kNN and linear probes, substantially outperforming prior methods and approaching, or even surpassing, the performance of leading SSL models trained on over 100 more data. Code and pretrained models will be released.

Existing molecular machine learning force fields (MLFFs) generally focus on the learning of atoms, molecules, and simple quantum chemical properties (such as energy and force), but ignore the importance of electron density (ED) ρ(r) in accurately understanding molecular force fields (MFFs). ED describes the probability of finding electrons at specific locations around atoms or molecules, which uniquely determines all ground state properties (such as energy, molecular structure, etc.) of interactive multi-particle systems according to the HohenbergKohn theorem. However, the calculation of ED relies on the time-consuming first-principles density functional theory (DFT), which leads to the lack of largescale ED data and limits its application in MLFFs. In this paper, we introduce EDBench, a large-scale, high-quality dataset of ED designed to advance learningbased research at the electronic scale. Built upon the PCQM4Mv2, EDBench provides accurate ED data, covering 3.3 million molecules. To comprehensively evaluate the ability of models to understand and utilize electronic information, we design a suite of ED-centric benchmark tasks spanning prediction, retrieval, and generation. Our evaluation of several state-of-the-art methods demonstrates that learning from EDBench is not only feasible but also achieves high accuracy. Moreover, we show that learning-based methods can efficiently calculate ED with comparable precision while significantly reducing the computational cost relative to traditional DFT calculations. All data and benchmarks from EDBench will be freely available, laying a robust foundation for ED-driven drug discovery and materials science.

Conventional wisdom attributes the mysterious generalization abilities of overparameterized neural networks to gradient descent (and its variants). The recent volume hypothesis challenges this view: it posits that these generalization abilities persist even when gradient descent is replaced by Guess & Check (G&C), i.e., by randomly drawing weight settings until one that fits the training data is found. The validity of the volume hypothesis for wide and deep neural networks remains an open question. In this paper, we theoretically investigate this question for matrix factorization (with linear and non-linear activation): a canonical testbed in neural network theory. We first prove that generalization under G&C deteriorates with increasing width, establishing what is, to our knowledge, the first canonical case where G&C is provably inferior to gradient descent. Conversely, we prove that generalization under G&C improves with increasing depth, revealing a stark contrast between wide and deep networks, which we further validate empirically. These findings suggest that even in simple settings, there may not be a simple answer to the question of whether neural networks need gradient descent to generalize well.