The explainable clustering problem was first posed by Moshkovitz et al. (ICML 2020) and studies how well an axis-aligned decision tree with $K$ leaves can approximate a given clustering. The performance of the tree is measured via the \textit{price of explainability}, defined as the ratio between the clustering cost of the tree (where every leaf is a cluster) and the optimal cost. Several recent works have given worst-case characterizations of the price of explainability for different cost functions. However, these guarantees are data-agnostic and therefore notoriously pessimistic in practical clustering settings. In this paper, we study explainable clustering from the point of view of mixture models, which allows us to give the first data-dependent bounds on the price of explainability. First, we focus on $K$-medians clustering of mixture models with subexponential tails. We propose an algorithm that leverages information about the distribution of the data to find better cuts, and prove new upper and lower bounds. Second, we extend our algorithm and the theoretical guarantees it provides to kernel clustering, thereby refining the existing worst-case analysis.
Maximilian Fleissner, Maedeh Zarvandi, Debarghya Ghoshdastidar· 0 citations
Operator learning, the approximation of mappings between infinite-dimensional function spaces using machine learning, has gained increasing research attention in recent years. Operator approximations can serve as efficient surrogate models for problems in computational science and engineering, complementing traditional methods. However, despite their empirical success, our understanding of the underlying mathematical theory is in large part still incomplete. In this paper, we study the approximation of Lipschitz operators with respect to Gaussian measures. We prove higher Gaussian Sobolev regularity of Lipschitz operators and establish lower and upper bounds on the Hermite polynomial approximation error. We then study general reconstruction strategies of Lipschitz operators from $m$ arbitrary (potentially adaptive) linear samples. As a key finding, we tightly characterize the corresponding sample complexity, that is, the smallest achievable worst-case error among all possible choices of (adaptive) sampling and reconstruction strategies, in terms of $m$. As a consequence, we identify an inherent curse of sample complexity: No method to approximate Lipschitz operators based on $m$ linear samples can achieve algebraic convergence rates in $m$. On the positive side, we prove that a sufficiently fast spectral decay of the covariance operator of the underlying Gaussian measure guarantees convergence rates which are arbitrarily close to any algebraic rate. Overall, by tightly characterizing the sample complexity, our work confirms the intrinsic difficulty of learning Lipschitz operators, regardless of the data or learning technique.
Ben Adcock, Michael Griebel, Gregor Maier· 0 citations
Molecular optimization, the process of designing molecules with desirable properties, represents a critical challenge in drug discovery. Recent advancements in large language models (LLMs) have opened new opportunities for their integration with traditional molecular optimization algorithms to improve performance. In this work, we propose Molecular Language Model powered Evolutionary Algorithm (Mol-E), an evolutionary algorithm that relies on the generative capabilities of LLMs trained on molecules and molecular properties.
Scientific Contribution. Mol-E establishes new state-of-the-art results on the Practical Molecular Optimization benchmark, with summed Top-10 AUC values of 17.500 in the task-agnostic regime, in which the oracle is treated strictly as a black box, and 20.551 in the task-informed regime, in which the optimizer receives a fixed semantic description of the objective. Mol-E also improves over the evaluated baselines on multi-property optimization with docking against DRD2, MK2, and AChE.
Philipp Guevorguian, Menua Bedrosian, Tigran Fahradyan et al.· 0 citations
Recent advances in automatic rigging now deliver animation-ready 3D assets at scale, yet generating the motion to drive them remains a bottleneck. Existing learned animators are topology-constrained: they rely on category-specific templates or require per-skeleton fine-tuning and reference motions at inference. We present UniMate, a unified foundation model that synthesizes articulated motion for arbitrary skeletons from a rigged 3D asset and a text prompt, with no test-time optimization or per-skeleton retraining. UniMate introduces a topology-aware diffusion transformer, which integrates skeletal topology into attention via three mechanisms: (1) a graph-aware attention bias from pairwise joint relations and geodesic distances; (2) a spectral rotary position embedding generalizing RoPE to arbitrary kinematic trees via the graph Laplacian; and (3) a global topological conditioner attention-pooled from the rest-pose skeleton. We also curate UniML3D, 13,006 motion sequences spanning bipedal, quadrupedal, avian, marine, insectoid, serpentine, and articulated rigid objects with unified canonicalization and text pairing. Trained on this dataset, UniMate outperforms state-of-the-art baselines in quality, generalization, and efficiency, and supports zero-shot cross-topology transfer, in-betweening, expansion, and text-guided editing. Our project page is available at https://linzhanmou.com/unimate/.
Linzhan Mou, Jiahui Lei, Zhiyang Dou et al.· 0 citations
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Deepfake detection models often rely on high-quality inputs, fixed inference paths, and computationally expensive architectures, limiting their use in low-resolution and resource-constrained settings. This paper proposes AdaGate-DF, an adaptive gated deepfake detection framework that uses image-quality cues to route samples through a dual multi-exit system so high-quality images can exit earlier and save compute. We evaluated AdaGate-DF against MaD-CoRN, DefakeHop++, and ShuffleNetV2 on two benchmark datasets (Celeb-DF and FaceForensics++) under multiple configurations to test image resolution dependence and training and inference efficiency. On Celeb-DF, AdaGate-DF achieves an AUC of 0.9370, outperforming MaD-CoRN and DefakeHop++ while maintaining a low inference latency. Resolution-based testing shows consistent improvement as input resolution increases, reaching an AUC of 0.9708 at 384 by 384. The FaceForensics++ results highlight that AdaGate-DF remains effective under class imbalance, following competitive results with evaluated models. Overall, AdaGate-DF demonstrated a practical balance between detection performance, uncertainty-aware prediction, and computational efficiency for variable-quality deepfake detection.
Vaishnavi Sen, Cody Laurie, Rashida Hasan· 0 citations
Cooperative multi-agent reinforcement learning (MARL) systems rely on past experience for learning coordinated behaviour, but this experience may become unreliable if the environment or task objective changes during training. In such cases, agents first need a way to recognize that the situation has changed before deciding how to adapt. This paper studies online change-point detection for cooperative MARL using reward-derived signals. We propose \emph{Patterns of Past Rewards} (PPR), a lightweight algorithm-agnostic detector that smooths agents' return streams, highlights recent changes, and applies a statistical drift detector to flag significant shifts. We evaluate PPR in a custom Speaker-Listener environment based on the Multi-Agent Particle Environment under two controlled non-stationarity scenarios. Our results show a trade-off between detection speed and alarm stability. A smoothed-return baseline detects earlier but produces many repeated alarms. In contrast, applying the detector directly to raw returns often misses the shift. PPR offers a more balanced approach by limiting redundant detections while still identifying the controlled shifts. These findings highlight PPR as a lightweight, reward-based monitoring tool that enables cooperative MARL systems to reliably identify major changes during training.
Does a simplified legal clause still say what the original said? The checks in current use cannot establish that it does: requiring an identical pair to score highest and an unrelated pair lowest moves lexical overlap and legal force together, so any monotone function of token overlap satisfies both. Our remedy is a dissociation, an item holding surface form fixed while legal force moves. We release LexFlip, 373 minimal perturbations of Quebec statutory French that reverse legal force while preserving 0.93 of the tokens, with a harness scoring metrics, regressors and prompted judges alike. The seven embedding and BERTScore metrics we test spend only 0.022 to 0.039 of their identical-to-unrelated range on such an edit, against 0.670 for bidirectional NLI, the one family the identical-pair check would disqualify. On FrJudge, against a measured human ceiling of r=0.597, a bare length feature outscores every semantic metric and has the lowest margin we measure.
We investigate the best $L_2$ approximation of mixed Sobolev spaces by shallow neural networks with $n$ neurons and general activation functions. We first establish an activation-independent Fourier-block principle: if an activation has univariate approximation order $\rho$ in the sense of the Fourier-block property, then the global approximation rate has algebraic order $\min\{\alpha,\rho\}$ for target functions of mixed smoothness $\alpha$, up to explicit logarithmic factors. To verify this property for concrete activations, we introduce a structured univariate approximation condition that implies the Fourier-block property with explicit parameters. For $\mathrm{ReLU}^k$, a matching algebraic lower bound identifies $\min\{\alpha,k+1\}$ as the optimal algebraic approximation exponent in any dimension, up to logarithmic factors in the upper bound. The framework also yields the exponent $\min\{\alpha,k+1\}$ for cardinal B-splines and soft-$\mathrm{ReLU}^k$, and the full mixed-smoothness exponent $\alpha$ for ELU and cosine activations, again up to logarithmic~factors.
As spaceborne computing systems increasingly rely on neural network (NN) accelerators, the opacity of commercial, black-box architectures severely restricts the development of verifiable radiation mitigation strategies. Open-source, register-transfer level (RTL)-accessible accelerators resolve this limitation by enabling user-defined instrumentation, yet few have empirical radiation-response baselines. This work establishes a foundational system-level proton-irradiation baseline for an unmitigated open-source Tensil NN accelerator deployed on a Zynq UltraScale+ SoC executing ResNet-20 inference. Under 20 to 58 MeV proton irradiation, we delivered $4.29 \times 10^{10}$ p/cm$^{2}$ within monitored operational windows. Seven workload interruptions required two restarts of the notebook process, four reboots or board resets, and one power-cycle sequence. Two output-corruption events returned incorrect CIFAR-10 classes without loss of service. In the longer event, the accelerator returned a class absent from the ten-image CIFAR-10 pool for 39 consecutive inputs at normal cadence. The process remained alive, while the kernel log, limited memory test, and sampled power showed no anomaly. Observation of the stuck-class sequence ended with scheduled bitstream reconfiguration. All nine onsets occurred under the nominal 4 cm beam, which exposed the SoC, LPDDR4, and additional board circuitry; none occurred under the 2 cm SoC-centered field. This pattern shows a field association but does not establish LPDDR4 as the cause because field size was confounded with run order and dose. Linux-managed accelerators require end-to-end content checks and recovery that reaches the state in which corruption can persist. This baseline documents availability loss and silent output corruption, supporting future software hardening of COTS FPGA-SoCs for neural-network inference in space systems.
Saad Memon, Rafal Graczyk, Jan Swako\'n et al.· 0 citations
Forecasting time series accurately is critical for applications with complex data ranging from energy systems to healthcare and finance. Among current state of the art models, generative latent variable models are increasingly implemented; yet principled generalisation guarantees for modern latent variable models remain limited. In particular, while Variational AutoEncoders are widely used for sequential data, their theoretical analysis is largely restricted to i.i.d. settings. In this work, we develop a PAC-Bayesian framework for latent variables models applied to time series. Building on reconstruction-based bounds, we extend PAC-Bayesian guarantees to Markovian latent structures, capturing temporal dependencies through a sequential generative process. These guarantees do not grow with the length of the trajectory. Our bounds depend on assumptions which are common in the literature; we provide an example framework where they would be verified to show that they are not as restrictive as they may seem.
Chlo\'e Hashimoto-Cullen, Ghislain Agoua, Benjamin Guedj et al.· 0 citations
Dynamical symbolic regression methods identify governing differential equations from noisy data, balancing interpretability and predictive accuracy. However, standard methods often produce expressions that violate known physical laws. To address this, we propose FluxDisco, a physics-informed framework tailored for flux-based, stoichiometric ODE systems. By leveraging a known stoichiometry, we reduce the expression search space and ensure physical adherence. Our framework adapts the Monte Carlo Graph Search algorithm for the unique challenges associated with joint flux discovery of stoichiometric systems. We evaluate our method across a range of physical and biological systems, demonstrating its ability to accurately recover governing dynamics through interpretable equations.
Cassandra Durr (Lancaster University), Alvaro K\"ohn-Luque (University of Oslo), Chris Jewell (Lancaster University) et al.· 0 citations
Explainability is increasingly seen as a crucial requirement in AI-based medical diagnosis, particularly in safety-critical clinical decision-making. Most existing explainability methods in healthcare operate in a post-hoc manner and are predominantly designed for unimodal data, which limits their applicability in increasingly prevalent multimodal diagnostic settings. This paper addresses the problem of self-explainable multimodal diagnosis by formulating it within the information bottleneck (IB) framework. We propose a unified learning paradigm that jointly optimizes predictive performance and modality-specific explainability by identifying the most informative elements inside each modality that contribute to diagnostic decisions. To enable tractable and stable optimization, we employ a matrix-based Renyi's $\alpha$-order entropy functional under the assumption of sufficiently expressive encoders. Extensive experiments on representative medical datasets spanning heterogeneous modalities demonstrate that the proposed method consistently achieves strong diagnostic performance, including an absolute accuracy improvement of 9.1 percentage points on the iCTCF dataset. Moreover, the learned explanations provide transparent and modality-aware insights into feature relevance, thereby improving both the explainability and generalization.
Yuqing Yang, Alexander Schmatz, Zhaozhao Ma et al.· 0 citations
A weeklong summer workshop brought higher education faculty to campus to explore how AI and machine learning materials can be adapted for their classrooms.
A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.
MIT News · Artificial Intelligence· news.mit.eduAug 24, 2026
