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Deep Learning · Generative Models and Autoencoders

Andrea Fasoli, Monodeep Kar, Chi-Chun Liu, Swagath Venkataramani, Viji Srinivasan, Leland Chang, Naigang Wang

Microscaling data formats leverage per-block tensor quantization to enable aggressive model compression with limited loss in accuracy. Unlocking their potential for efficient training and inference necessitates hardware-friendly implementations that handle matrix multiplications in a native format and adopt efficient error-mitigation strategies. Herein, we reported the emergence of a surprising behavior associated with microscaling quantization, whereas the output of a quantized model degrades as block size is decreased below a given threshold. This behavior clashes with the expectation that a smaller block size should allow for a better representation of the tensor elements. We investigate this phenomenon both experimentally and theoretically, decoupling the sources of quantization error behind it. Experimentally, we analyze the distributions of several Large Language Models and identify the conditions driving the anomalous behavior. Theoretically, we lay down a framework showing remarkable agreement with experimental data from pretrained model distributions and ideal ones. Overall, we show that the anomaly is driven by the interplay between narrow tensor distributions and the limited dynamic range of the quantized scales. Based on these insights, we propose the use of FP8 unsigned E5M3 as a novel hardware-friendly format for the scales in FP4 microscaling data types. We demonstrate that UE5M3 achieves comparable performance to the conventional FP8 unsigned E4M3 scales while obviating the need of global scaling operations on weights and activations.

Computer Vision · Segmentation

Sanghyun Jo, Ziseok Lee, Wooyeol Lee, Jonghyun Choi, Jaesik Park, Kyungsu Kim

High-quality instance and panoptic segmentation has traditionally relied on dense instance-level annotations such as masks, boxes, or points, which are costly, inconsistent, and difficult to scale. Unsupervised and weakly-supervised approaches reduce this burden but remain constrained by semantic backbone constraints and human bias, often producing merged or fragmented outputs. We present TRACE (TRAnsforming diffusion Cues to instance Edges), showing that text-to-image diffusion models secretly function as instance edge annotators. TRACE identifies the Instance Emergence Point (IEP) where object boundaries first appear in self-attention maps, extracts boundaries through Attention Boundary Divergence (ABDiv), and distills them into a lightweight one-step edge decoder. This design removes the need for per-image diffusion inversion, achieving 81× faster inference while producing sharper and more connected boundaries. On the COCO benchmark, TRACE improves unsupervised instance segmentation by +5.1 AP, and in tag-supervised panoptic segmentation it outperforms point-supervised baselines by +1.7 PQ without using any instance-level labels. These results reveal that diffusion models encode hidden instance boundary priors, and that decoding these signals offers a practical and scalable alternative to costly manual annotation. **Project Page:** https://shjo-april.github.io/TRACE.

Computer Vision · Segmentation

Sanghyun Jo, Ziseok Lee, Wooyeol Lee, Jonghyun Choi, Jaesik Park, Kyungsu Kim

High-quality instance and panoptic segmentation has traditionally relied on dense instance-level annotations such as masks, boxes, or points, which are costly, inconsistent, and difficult to scale. Unsupervised and weakly-supervised approaches reduce this burden but remain constrained by semantic backbone constraints and human bias, often producing merged or fragmented outputs. We present TRACE (TRAnsforming diffusion Cues to instance Edges), showing that text-to-image diffusion models secretly function as instance edge annotators. TRACE identifies the Instance Emergence Point (IEP) where object boundaries first appear in self-attention maps, extracts boundaries through Attention Boundary Divergence (ABDiv), and distills them into a lightweight one-step edge decoder. This design removes the need for per-image diffusion inversion, achieving 81× faster inference while producing sharper and more connected boundaries. On the COCO benchmark, TRACE improves unsupervised instance segmentation by +5.1 AP, and in tag-supervised panoptic segmentation it outperforms point-supervised baselines by +1.7 PQ without using any instance-level labels. These results reveal that diffusion models encode hidden instance boundary priors, and that decoding these signals offers a practical and scalable alternative to costly manual annotation. **Project Page:** https://shjo-april.github.io/TRACE.

Applications · Everything Else

Nikhil Abhyankar, sanchit kabra, Saaketh Desai, Chandan Reddy

Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (**LLEMA**), a unified framework that couples the scientific knowledge embedded in large language models with chemistry-informed evolutionary rules and memory-based refinement. At each iteration, an LLM proposes crystallographically specified candidates under explicit property constraints; a surrogate-augmented oracle estimates physicochemical properties; and a multi-objective scorer updates success/failure memories to guide subsequent generations. Evaluated on **14 realistic tasks** that span electronics, energy, coatings, optics, and aerospace, LLEMA discovers candidates that are chemically plausible, thermodynamically stable, and property-aligned, achieving higher hit rates and improved Pareto front quality relative to generative and LLM-only baselines. Ablation studies confirm the importance of rule-guided generation, memory-based refinement, and surrogate prediction. By enforcing synthesizability and multi-objective trade-offs, LLEMA provides a principled approach to accelerating practical materials discovery. Project website: https://scientific-discovery.github.io/llema-project/

Social Aspects · Privacy-preserving Statistics and Machine Learning

Aki Rehn, Linzh Zhao, Mikko Heikkilä, Antti Honkela

Differentially private (DP) transfer learning, i.e., fine-tuning a pretrained model on private data, is the current state-of-the-art approach for training large models under privacy constraints. We focus on two key hyperparameters in this setting: the clipping bound $C$ and batch size $B$. We show a clear mismatch between the current theoretical understanding of how to choose an optimal $C$ (stronger privacy requires smaller $C$) and empirical outcomes (larger $C$ performs better under strong privacy), caused by changes in the gradient distributions. Assuming a limited compute budget (fixed epochs), we demonstrate that the existing heuristics for tuning $B$ do not work, while cumulative DP noise better explains whether smaller or larger batches perform better. We also highlight how the common practice of using a single $(C,B)$ setting across tasks can lead to suboptimal performance. We find that performance drops especially when moving between loose and tight privacy and between plentiful and limited compute, which we explain by analyzing clipping as a form of gradient re-weighting and examining cumulative DP noise.

Applications · Language, Speech and Dialog

Lihu Chen, Gerard de Melo, Fabian Suchanek, Gael Varoquaux

It is important for Large Language Models (LLMs) to be aware of the boundary of their knowledge, i.e., the mechanism of identifying known and unknown queries. This type of awareness enables models to perform adaptive inference, such as invoking retrieval-augmented generation (RAG), engaging in slow and deep thinking, or abstaining from answering when appropriate. These mechanisms are beneficial to the development of efficient and trustworthy AI. In this work, we propose a method to detect knowledge boundaries via \textbf{\emph{Query-Level Uncertainty }}, which estimates if a model is capable of to answering a given query before generating any tokens. To this end, we propose a novel, training-free method called \textbf{\emph{Internal Confidence}}, which leverages self-evaluations across layers and tokens to provide a reliable signal of uncertainty. Empirical studies on both factual question answering and mathematical reasoning tasks demonstrate that our internal confidence can outperform several baselines. Furthermore, we showcase that our proposed method can be used for adaptive inference, such as efficient RAG and model cascading, thereby reducing inference costs while preserving overall performance.

Computer Vision · 3D Rendering & Reconstruction

Renzhi Wang, Yuxiang Fu, Wuqi Wang, Haigen Min, Wei Feng, Lei Ma, Qing Guo

Reconstruction techniques, such as 3D Gaussian Splatting (3DGS), are increasingly used to generate scenarios for autonomous driving system (ADS) research. Existing 3DGS-based approaches for autonomous-driving scenario generation have, through various optimizations, achieved high visual similarity in reconstructed scenes. However, this route is built on a strong assumption: that higher scene similarity directly translates into better preservation of ADS behaviour. Unfortunately, this assumption has not been effectively validated, and ADS behaviour is more closely related to objects within the field of view rather than the global image. Thus, we focus on the perception module—the entry point of ADS. Preliminary experiments reveal that although current methods can produce reconstructions with high overall similarity, they often fail to ensure that the perception module outputs remain consistent with those obtained from the original images. Such a limitation can significantly harm the applicability of reconstruction in the ADS domain. To address this gap, we propose two complementary solutions: a perception-aligned loss, which directly leverages output differences between reconstructed and ground-truth images during training; and an object zone quality loss, which specifically reinforces training on object locations identified by the perception model on ground-truth images. Experiments demonstrate that both of our methods improve the ability of reconstructed scenes to maintain consistency between the perception module outputs and the ground-truth inputs. We release code at: https://github.com/Shanicky-RenzhiWang/Perception-aware-3DGS

Theory · Probabilistic Methods

Deepro Choudhury, Sinead Williamson, Adam Golinski, Ning Miao, Freddie Bickford Smith, Michael Kirchhof, Yizhe Zhang, Tom Rainforth

We propose a general-purpose approach for improving the ability of large language models (LLMs) to intelligently and adaptively gather information from a user or other external source using the framework of sequential Bayesian experimental design (BED). This enables LLMs to act as effective multi-turn conversational agents and interactively interface with external environments. Our approach, which we call BED-LLM (Bayesian experimental design with large language models), is based on iteratively choosing questions or queries that maximize the expected information gain (EIG) with respect to a variable of interest given the responses gathered previously. We show how this EIG can be formulated (and then estimated) in a principled way using a probabilistic model derived from the LLM's predictive distributions and provide detailed insights into key decisions in its construction and updating procedure. We find that BED-LLM achieves substantial gains in performance across a wide range of tests based on the 20 Questions game and using the LLM to actively infer user preferences, compared to purely prompting-based design generation and other adaptive design strategies.

General Machine Learning · Probabilistic Methods

Sébastien Melo, Gael Varoquaux, Marine Le Morvan

Distinguishing epistemic uncertainty (model ignorance) from aleatoric uncertainty (task randomness) is critical for reliable AI systems, yet standard confidence evaluation metrics capture different and incomplete aspects of uncertainty. While AUC and accuracy measure predictive signal, proper scoring rules assess overall uncertainty, and calibration metrics isolate part of the epistemic uncertainty but ignore within-bin heterogeneity of errors, known as grouping loss. We bridge this evaluation gap by introducing asymptotically consistent and sample-efficient estimators of the grouping loss and excess decision risk, providing a fine-grained assessment of epistemic uncertainty that complements existing calibration metrics. Applied to LLM question-answering with inherent aleatoric noise, our estimators reveal substantial grouping loss which decreases with model scale and instruction tuning. Their local nature enables automatic identification of subgroups with systematic over- or under-confidence, supporting interpretable confidence audits. Finally, we leverage these estimates to design LLM cascades that defer high excess decision risk predictions to stronger models, achieving higher accuracy at lower cost than competing approaches.

Computer Vision · Everything Else

Rajesh Shrestha, Xiao Fu

While score-based generative models have emerged as powerful priors for solving inverse problems, directly integrating them into optimization algorithms such as ADMM remains nontrivial. Two central challenges arise: i) the mismatch between the noisy data manifolds used to train the score functions and the geometry of ADMM iterates, especially due to the influence of dual variables, and ii) the lack of convergence understanding when ADMM is equipped with score-based denoisers. To address the manifold mismatch issue, we propose ADMM plug-and-play (ADMM-PnP) with the AC-DC denoiser, a new framework that embeds a three-stage denoiser into ADMM: (1) auto-correction (AC) via additive Gaussian noise, (2) directional correction (DC) using conditional Langevin dynamics, and (3) score-based denoising. In terms of convergence, we establish two results: first, under proper denoiser parameters, each ADMM iteration is a weakly nonexpansive operator, ensuring high-probability fixed-point *ball convergence* using a constant step size; second, under more relaxed conditions, the AC-DC denoiser is a bounded denoiser, which leads to convergence under an adaptive step size schedule. Experiments on a range of inverse problems demonstrate that our method consistently improves solution quality over a variety of baselines.

General Machine Learning · Everything Else

Xueyan Li, Guinan Su, Mrinmaya Sachan, Jonas Geiping

Large Language Models (LLMs) are increasingly applied to complex tasks that require extended reasoning. In such settings, models often benefit from diverse chains-of-thought to arrive at multiple candidate solutions. This requires two competing objectives: to inject enough stochasticity to explore multiple reasoning chains, and to ensure sufficient accuracy and quality in each path. Existing works pursue the first objective by increasing exploration at highly uncertain steps with higher temperature or larger candidate token sets, while others improve reliability by rejecting samples with low confidence post generation, implying that low confidence correlates with low answer quality. These two lines of thought are in conflict, as they conflate different sources of uncertainty. To resolve this, we argue that the decoding rule should be calibrated by *correctness*, not confidence alone. We should sample from tokens with higher estimated correctness, and reduce sampling where expected correctness is low. We propose simple strategies that achieve this goal: **Greedy-Threshold** makes sampling greedy at very low confidence steps. **Calibrated-TopK** and **Calibrated-ε** set truncation threshold based on estimated rank-wise correctness. Together, our findings challenge prevailing heuristics about decoding under uncertainty, showing consistent gains across math and general reasoning benchmarks.

Reinforcement Learning · Deep RL

Aleksei Petrenko, Ben Lipkin, Kevin Chen, Erik Wijmans, Marco Cusumano-Towner, Raja Giryes, Philipp Krähenbühl

Policy gradient algorithms have driven many recent advancements in language model reasoning. An appealing property is their ability to learn from exploration on their own trajectories, a process crucial for fostering diverse and creative solutions. As we show in this paper, many policy gradient algorithms naturally reduce the entropy---and thus the diversity of explored trajectories---as part of training, yielding a policy increasingly limited in its ability to explore. In this paper, we argue that entropy should be actively monitored and controlled throughout training. We formally analyze the contributions of leading policy gradient objectives on entropy dynamics, identify empirical factors (such as numerical precision) that significantly impact entropy behavior, and propose explicit mechanisms for entropy control. These include REPO, a family of algorithms that modify the advantage function to regulate entropy, and ADAPO, an adaptive asymmetric clipping approach. Models trained with our entropy-preserving methods maintain diversity throughout training, yielding final policies that are more performant and retain their trainability for sequential learning in new environments.

Jialiang Zhang, Haoran Geng, Yang You, Congyue Deng, Pieter Abbeel, Jitendra Malik, Leonidas Guibas

Understanding and predicting articulated actions is important in robot learning. However, common architectures such as MLPs and Transformers lack inductive biases that reflect the underlying kinematic structure of articulated systems. To this end, we propose the **Neural Rodrigues Operator**, a learnable generalization of the classical forward kinematics operation, designed to inject kinematics-aware inductive bias into neural computation. Building on this operator, we design the **Rodrigues Network (RodriNet)**, a novel neural architecture specialized for processing actions. We evaluate the expressivity of our network on two synthetic tasks on kinematic and motion prediction, showing significant improvements compared to standard backbones. We further demonstrate its effectiveness in two realistic applications: (i) imitation learning on robotic benchmarks with the Diffusion Policy, and (ii) single-image 3D hand reconstruction. Our results suggest that integrating structured kinematic priors into the network architecture improves action learning in various domains.

Deep Learning · Robustness

Sunghee Dong, Sungwon Yi, Kangmin Bae, Jaeyoon Kim, Seongyeop Kim

Large language models (LLMs) are increasingly deployed in real-world applications but remain highly vulnerable to jailbreak prompts that bypass safety guardrails and elicit harmful outputs. We propose GraphShield, a graph-theoretic jailbreak detector that models information routing inside the LLM as token--layer graphs. Unlike prior defenses that rely on surface cues or costly gradient signals, GraphShield captures network-level dynamics in a lightweight and model-agnostic way by extracting multi-scale structural and semantic features that reveal jailbreak signatures. Extensive experiments on LLaMA-2-7B-Chat and Vicuna-7B-v1.5 show that GraphShield reduces attack success rates to 1.9% and 7.8%, respectively, while keeping refusal rates on benign prompts at 7.1% and 6.8%, significantly improving the robustness–utility trade-off compared to strong baselines. These results demonstrate that graph-theoretic modeling of network-level dynamics provides a principled and effective framework for robust jailbreak detection in LLMs.

Applications · Language, Speech and Dialog

Konstantin Dobler, Desmond Elliott, Gerard de Melo

Current language models rely on static vocabularies determined at pretraining time, which can lead to decreased performance and increased computational cost for domains underrepresented in the original vocabulary. New tokens can be added to solve this problem, when coupled with a good initialization for their new embeddings. However, existing embedding initialization methods require expensive further training or pretraining of additional modules. In this paper, we propose Token Distillation and show that by distilling representations obtained using the original tokenization, we can quickly learn high-quality input embeddings for new tokens. Experimental results with a wide range of open-weight models show that Token Distillation outperforms even strong baselines.

Computer Vision · Vision Models & Multimodal

Mehmet Onurcan Kaya, Desmond Elliott, Dim Papadopoulos

Small Vision-Language Models (VLMs) provide a computationally efficient alternative to larger models, at the cost of weaker generalization abilities and downstream task performance. These shortcomings could be addressed by test-time scaling techniques, but existing methods are typically computationally demanding, contradicting the resource-efficient design goals of small models. To address these limitations, we propose two novel and efficient test-time scaling strategies that leverage the model-internal features rather than external supervision: (i) Test-Time Augmentation (TTAug), which generates multiple augmented inputs and aggregates outputs at the token level without parameter updates, and (ii) Test-Time Adaptation (TTAdapt), which adapts model parameters during inference using consensus-based pseudolabels from TTAug. Through extensive experiments across nine benchmarks, we demonstrate consistent performance improvements while maintaining computational efficiency suitable for resource-constrained environments. The generality of our approach is demonstrated both within models at different scales and across different VLMs without additional tuning.

Social Aspects · Everything Else

Desmond Elliott

We document the rise of the Generative AI Archaeologist, whose tools include linear algebra and probability theory, jailbreaking, and debuggers, compared to the metal detectors, pickaxes, and radar surveys of traditional archaeology. GenAI Archaeologists have reported findings both through luck by observing unexpected behaviour in publicly accessible models, and by exploiting the mathematical properties of models. In this blog, we survey five types of findings unearthed by GenAI Archaeologists and discuss the status of those findings.

Deep Learning · Attention Mechanisms

Enrique Queipo-de-Llano, Alvaro Arroyo, Federico Barbero, Xiaowen Dong, Michael Bronstein, Yann LeCun, Ravid Shwartz-Ziv

Attention sinks and compression valleys have attracted significant attention as two puzzling phenomena in large language models, but have been studied in isolation. In this work, we present a surprising connection between attention sinks and compression valleys, tracing both to the formation of massive activations in the residual stream. We prove theoretically that massive activations necessarily produce representational compression and establish bounds on the resulting entropy reduction. Through experiments across several models (410M--120B parameters), we confirm that when the beginning-of-sequence token develops extreme activation norms in the middle layers, both compression valleys and attention sinks emerge simultaneously. Targeted ablation validates our theoretical predictions. This unified view motivates us to propose the Mix-Compress-Refine theory of information flow, as an attempt to explain how LLMs organize their computation in depth by controlling attention and representational compression via massive activations. Specifically, we posit that Transformer-based LLMs process tokens in three distinct phases: (1) broad mixing in the early layers, (2) compressed computation with limited mixing in the middle layers, and (3) selective refinement in the late layers. Our framework helps explain why embedding tasks perform best at intermediate layers, whereas generation tasks benefit from full-depth processing, clarifying differences in task-dependent representations.

Theory · Interpretability and Visualization

Simone Facchiano, Stefano Saravalle, Matteo Migliarini, Edoardo De Matteis, Alessio Sampieri, Andrea Pilzer, Emanuele Rodolà, Indro Spinelli, Luca Franco, Fabio Galasso

Video generative models achieve high-quality synthesis from natural-language prompts by leveraging large-scale web data. However, this training paradigm inherently exposes them to unsafe biases and harmful concepts, introducing the risk of generating undesirable or illicit content. To mitigate unsafe generations, existing machine unlearning approaches either rely on filtering, and can therefore be bypassed, or they update model weights, but with costly fine-tuning or training-free closed-form edits. We propose the first training-free weight update framework for concept removal in video diffusion models. From five paired safe/unsafe prompts, our method estimates a refusal vector and integrates it into the model weights as a closed-form update. A contrastive low-rank factorization further disentangles the target concept from unrelated semantics, it ensures a selective concept suppression and it does not harm generation quality. Our approach reduces unsafe generations on the Open-Sora and ZeroScopeT2V models across the T2VSafetyBench and SafeSora benchmarks, with average reductions of 36.3% and 58.2% respectively, while preserving prompt alignment and video quality. This establishes an efficient and scalable solution for safe video generation without retraining nor any inference overhead.

General Machine Learning · Representation Learning

Navami Kairanda, Shanthika Naik, Marc Habermann, Avinash Sharma, Christian Theobalt, Vladislav Golyanik

We present a novel differentiable grid-based representation for efficiently solving differential equations (DEs). Widely used architectures for neural solvers, such as sinusoidal neural networks, are coordinate-based MLPs that are, both, computationally intensive and slow to train. Although grid-based alternatives for implicit representations (e.g., Instant-NGP and K-Planes) train faster by exploiting signal structure, their reliance on linear interpolation restricts their ability to compute higher-order derivatives, rendering them unsuitable for solving DEs. In contrast, our approach overcomes these limitations by combining the efficiency of feature grids with radial basis function interpolation, which is infinitely often differentiable. To effectively capture high-frequency solutions and enable stable and faster computation of global gradients, we introduce a multi-resolution decomposition with co-located grids. Our proposed representation, $\boldsymbol{\partial^\infty}$-Grid, is trained implicitly using the differential equations as loss functions, enabling accurate modeling of physical fields. We validate $\boldsymbol{\partial^\infty}$-Grid on a variety of tasks, including Poisson equation for image reconstruction, the Helmholtz equation for wave fields, and the Kirchhoff-Love boundary value problem for cloth simulation. Our results demonstrate a 5–20× speed-up over coordinate-based MLP-based methods, solving differential equations in seconds or minutes while maintaining comparable accuracy and compactness.