论文检索

Deep Learning · Algorithms

Ahmed Heakl, Martin Gubri, Salman Khan, Sangdoo Yun, Seong Joon Oh

Large Language Models (LLMs) process every token through all layers of a transformer stack, causing wasted computation on simple queries and insufficient flexibility for harder ones that need deeper reasoning. Adaptive-depth methods can improve efficiency, but prior approaches rely on costly inference-time search, architectural changes, or large-scale retraining, and in practice often degrade accuracy despite efficiency gains. We introduce Dr.LLM, Dynamic routing of Layers for LLMs, a retrofittable framework that equips pretrained models with lightweight per-layer routers deciding to skip, execute, or repeat a block. Routers are trained with explicit supervision: using Monte Carlo Tree Search (MCTS), we derive high-quality layer configurations that preserve or improve accuracy under a compute budget. Our design, windowed pooling for stable routing, focal loss with class balancing, and bottleneck MLP routers, ensures robustness under class imbalance and long sequences. On ARC (logic) and DART (math), Dr.LLM improves accuracy by up to +3.4%p while saving 5 layers per example on average. Routers generalize to out-of-domain tasks (MMLU, GSM8k, AIME, TruthfulQA, SQuADv2, GPQA, PIQA, AGIEval) with only 0.85% accuracy drop while retaining efficiency, and outperform prior routing methods by up to +7.7%p. Overall, Dr.LLM shows that explicitly supervised routers retrofit frozen LLMs for budget-aware, accuracy-driven inference without altering base weights.

Social Aspects · Trustworthy Machine Learning

Igor Maljkovic, Maria Rosaria Briglia, Iacopo Masi, Antonio Emanuele Cinà, Fabio Roli

Vision–Language Models (VLMs) have become essential for tasks such as image synthesis, captioning, and retrieval by aligning textual and visual information in a shared embedding space. Yet, this flexibility also makes them vulnerable to malicious prompts designed to produce unsafe content, raising critical safety concerns. Existing defenses either rely on blacklist filters, which are easily circumvented, or on heavy classifier-based systems, both of which are costly and fragile under embedding-level attacks. We address these challenges with two complementary components: Hyperbolic Prompt Espial (HyPE) and Hyperbolic Prompt Sanitization (HyPS). HyPE is a lightweight anomaly detector that leverages the structured geometry of hyperbolic space to model benign prompts and detect harmful ones as outliers. HyPS builds on this detection by applying explainable attribution methods to identify and selectively modify harmful words, neutralizing unsafe intent while preserving the original semantics of user prompts. Through extensive experiments across multiple datasets and adversarial scenarios, we prove that our framework consistently outperforms prior defenses in both detection accuracy and robustness. Together, HyPE and HyPS offer an efficient, interpretable, and resilient approach to safeguarding VLMs against malicious prompt misuse.

Applications · Physics

Jan Tauberschmidt, Sophie Fellenz, Sebastian Vollmer, Andrew Duncan

We present a framework for fine-tuning flow-matching generative models to enforce physical constraints and solve inverse problems in scientific systems. Starting from a model trained on low-fidelity or observational data, we apply a differentiable post-training procedure that minimizes weak-form residuals of governing partial differential equations (PDEs), promoting physical consistency and adherence to boundary conditions without distorting the underlying learned distribution. To infer unknown physical inputs, such as source terms, material parameters, or boundary data, we augment the generative process with a learnable latent parameter predictor and propose a joint optimization strategy. The resulting model produces physically valid field solutions alongside plausible estimates of hidden parameters, effectively addressing ill-posed inverse problems in a data-driven yet physics-aware manner. We validate our method on canonical PDE problems, demonstrating improved satisfaction of physical constraints and accurate recovery of latent coefficients. Further, we confirm cross-domain utility through fine-tuning of natural-image models. Our approach bridges generative modelling and scientific inference, opening new avenues for simulation-augmented discovery and data-efficient modelling of physical systems.

Nina Vesseron, Elsa Cazelles, Alice Le Brigant, Klein Thierry

This paper focuses on Geodesic Principal Component Analysis (GPCA) on a collection of probability distributions using the Otto-Wasserstein geometry. The goal is to identify geodesic curves in the space of probability measures that best capture the modes of variation of the underlying dataset. We first address the case of a collection of Gaussian distributions, and show how to lift the computations in the space of invertible linear maps. For the more general setting of absolutely continuous probability measures, we leverage a novel approach to parameterizing geodesics in Wasserstein space with neural networks. Finally, we compare to classical tangent PCA through various examples and provide illustrations on real-world datasets.

General Machine Learning · Representation Learning

Nina Vesseron, Elsa Cazelles, Alice Le Brigant, Klein Thierry

This paper focuses on Geodesic Principal Component Analysis (GPCA) on a collection of probability distributions using the Otto-Wasserstein geometry. The goal is to identify geodesic curves in the space of probability measures that best capture the modes of variation of the underlying dataset. We first address the case of a collection of Gaussian distributions, and show how to lift the computations in the space of invertible linear maps. For the more general setting of absolutely continuous probability measures, we leverage a novel approach to parameterizing geodesics in Wasserstein space with neural networks. Finally, we compare to classical tangent PCA through various examples and provide illustrations on real-world datasets.

Nico Pelleriti, Christoph Spiegel, Shiwei Liu, David Martinez-Rubio, Max Zimmer, Sebastian Pokutta

Certifying nonnegativity of polynomials is a well-known NP-hard problem with direct applications spanning non-convex optimization, control, robotics, and beyond. A sufficient condition for nonnegativity is the Sum-of-Squares property, i.e., it can be written as a sum of squares of other polynomials. In practice, however, certifying the SOS criterion remains computationally expensive and often involves solving a Semidefinite Program (SDP), whose dimensionality grows quadratically in the size of the monomial basis of the SOS expression; hence, various methods to reduce the size of the monomial basis have been proposed. In this work, we introduce the first learning-augmented algorithm to certify the SOS criterion. To this end, we train a Transformer model that predicts an almost-minimal monomial basis for a given polynomial, thereby drastically reducing the size of the corresponding SDP. Our overall methodology comprises three key components: efficient training dataset generation of over 100 million SOS polynomials, design and training of the corresponding Transformer architecture, and a systematic fallback mechanism to ensure correct termination, which we analyze theoretically. We validate our approach on over 200 benchmark datasets, achieving speedups of over $100\times$ compared to state-of-the-art solvers and enabling the solution of instances where competing approaches fail. Our findings provide novel insights towards transforming the practical scalability of SOS programming. Code is available at https://github.com/ZIB-IOL/Neural-Sum-of-Squares.

General Machine Learning · Transfer, Multitask and Meta-learning

Zhanwang Liu, Yuting Li, Haoyuan Gao, Yexin Li, Linghe Kong, Lichao Sun, Weiran Huang

Catastrophic forgetting, the tendency of neural networks to forget previously learned knowledge when learning new tasks, has been a major challenge in continual learning (CL). To tackle this challenge, CL methods have been proposed and shown to reduce forgetting. Furthermore, CL models deployed in mission-critical settings can benefit from uncertainty awareness by calibrating their predictions to reliably assess their confidences. However, existing uncertainty-aware continual learning methods suffer from high computational overhead and incompatibility with mainstream replay methods. To address this, we propose idempotent experience replay (IDER), a novel approach based on the idempotent property where repeated function applications yield the same output. Specifically, we first adapt the training loss to make model idempotent on current data streams. In addition, we introduce an idempotence distillation loss. We feed the output of the current model back into the old checkpoint and then minimize the distance between this reprocessed output and the original output of the current model. This yields a simple and effective new baseline for building reliable continual learners, which can be seamlessly integrated with other CL approaches. Extensive experiments on different CL benchmarks demonstrate that IDER consistently improves prediction reliability while simultaneously boosting accuracy and reducing forgetting. Our results suggest the potential of idempotence as a promising principle for deploying efficient and trustworthy continual learning systems in real-world applications. Our code is available at https://github.com/YutingLi0606/Idempotent-Continual-Learning.

Hyoungseob Park, Lipeng Ke, Pritish Mohapatra, Huajun Ying, sankar venkataraman, Alex Wong

We propose a method for audio-visual knowledge distillation. Existing methods typically distill a student model from the latent embeddings or outputs of a teacher. The former requires matching feature dimensions, if not the same architecture, between teacher and student models while the latter supports any teacher-student pairing, but tends to be less performant. Unlike them, we do not explicitly distill from latent embeddings or outputs, but the pairwise relationships between embeddings across samples for each modality; this is realized as a kernel, which is the crux of our method, "Kernelized Token Distillation (KTD)". Specifically, we tokenize and embed the input for a given modality, and compute the Gram matrix across tokens, from which we distill. As audio and visual modalities afford different information for a task, we adaptively modulate distillation by measuring the entropy of each modality, leading to an Entropy-Monitored Kernelized Token Distillation (EM-KTD) scheme. Our method allows for flexibility in complexity of kernel function to model relationships across tokens, which are selectively distilled to ensure high-fidelity supervision for the student. We evaluate EM-KTD on VGGSound and AVS-Bench, where we use 94% fewer parameters than the teacher while preserving 96.9% in performance for audio-visual event recognition and 96.5% on audio-visual segmentation.

Optimization · Large Scale, Parallel and Distributed

Atli Kosson, Jeremy Welborn, Yang Liu, Martin Jaggi, Xi Chen

Transferring the optimal learning rate from small to large neural networks can enable efficient training at scales where hyperparameter tuning is otherwise prohibitively expensive. To this end, the Maximal Update Parameterization (µP) proposes a learning rate scaling designed to keep the update dynamics of internal representations stable across different model widths. However, the scaling rules of µP rely on strong assumptions, particularly about the geometric alignment of a layer’s inputs with both its weights and gradient updates. In this large-scale empirical investigation, we show that these assumptions hold only briefly at the start of training in the practical setups where learning rate transfer is most valuable, such as LLM training. For the remainder of training it is weight decay rather than µP that correctly stabilizes the update dynamics of internal representations across widths, facilitating learning rate transfer. This suggests µP's scaling primarily acts as a form of implicit learning rate warmup, allowing us to largely replace it with modified warmup schedules. Together these findings fundamentally challenge prevailing beliefs about learning rate transfer and can explain empirical observations such as why µP requires the independent weight decay variant for good transfer.

Deep Learning · Generative Models and Autoencoders

Lukas Helff, Ruben Härle, Wolfgang Stammer, Felix Friedrich, Manuel Brack, Antonia Wüst, Hikaru Shindo, Patrick Schramowski, Kristian Kersting

Large language models (LLMs) excel at generating fluent text, but their internal reasoning remains opaque and difficult to control. Sparse autoencoders (SAEs) make hidden activations more interpretable by exposing latent features that often align with human concepts. Yet, these features are fragile and passive, offering no mechanism for systematic reasoning or model control. To address this, we introduce ActivationReasoning (AR), a framework that embeds explicit logical reasoning into the latent space of LLMs. It proceeds in three stages: (1) Finding latent representations, first latent concept representations are identified (e.g., via SAEs) and organized into a dictionary; (2) Activating propositions, at inference time AR detects activating concepts and maps them to logical propositions; and (3)Logical reasoning, applying logical rules over these propositions to infer higher-order structures, compose new concepts, and steer model behavior. We evaluate AR on multi-hop reasoning (PrOntoQA), abstraction and robustness to indirect concept cues (Rail2Country), reasoning over natural and diverse language (ProverQA), and context-sensitive safety (BeaverTails). Across all tasks, AR scales robustly with reasoning complexity, generalizes to abstract and context-sensitive tasks, and transfers across model backbones. These results demonstrate that grounding logical structure in latent activations not only improves transparency but also enables structured reasoning, reliable control, and alignment with desired behaviors, providing a path toward more reliable and auditable AI.

Applications · Time Series

Francesco Spinnato, Cristiano Landi

Irregular temporal data, characterized by varying recording frequencies, differing observation durations, and missing values, presents significant challenges across fields like mobility, healthcare, and environmental science. Existing research communities often overlook or address these challenges in isolation, leading to fragmented tools and methods. To bridge this gap, we introduce a unified framework, and the first standardized dataset repository for irregular time series classification, built on a common array format to enhance interoperability. This repository comprises 34 datasets on which we benchmark 12 classifier models from diverse domains and communities. This work aims to centralize research efforts and enable a more robust evaluation of irregular temporal data analysis methods.

Deep Learning · Generative Models and Autoencoders

Konrad Staniszewski, Adrian Lancucki

Serving large language models (LLMs) at scale necessitates efficient key-value (KV) cache management. KV caches can be reused across conversation turns via shared-prefix prompts that are common in iterative code editing and chat. However, stale caches consume scarce GPU memory, require offloading, or force recomputation. We present KVTC, a lightweight transform coder that compresses KV caches for compact on-GPU and off-GPU storage. Drawing on classical media compression, KVTC combines PCA-based feature decorrelation, adaptive quantization, and entropy coding. It requires only a brief initial calibration and leaves model parameters unchanged. By exploiting redundancies in KV caches, KVTC achieves up to 20x compression while maintaining reasoning and long-context accuracy, and 40x or higher for specific use cases. We test KVTC with Llama 3, Mistral NeMo, and R1-Qwen 2.5 models across benchmarks including AIME25, GSM8K, LiveCodeBench, LongBench, MATH-500, MMLU, Qasper and RULER. It consistently outperforms inference-time baselines such as token eviction, quantization, and SVD-based methods, while achieving higher compression ratios. These results support KVTC as a practical building block for memory-efficient LLM serving with reusable KV caches.

Optimization · Zero-order and Black-box Optimization

Giang Ngo, Dat Phan Trong, Dang Nguyen, Sunil Gupta, Svetha Venkatesh

Bayesian Optimization critically depends on the choice of acquisition function, but no single strategy is universally optimal; the best choice is non-stationary and problem-dependent. Existing adaptive portfolio methods often base their decisions on past function values while ignoring richer information like remaining budget or surrogate model characteristics. To address this, we introduce LMABO, a novel framework that casts a pre-trained Large Language Model (LLM) as a zero-shot, online strategist for the BO process. At each iteration, LMABO uses a structured state representation to prompt the LLM to select the most suitable acquisition function from a diverse portfolio. In an evaluation across 50 benchmark problems, LMABO demonstrates a significant performance improvement over strong static, adaptive portfolio, and other LLM-based baselines. We show that the LLM's behavior is a comprehensive strategy that adapts to real-time progress, proving its advantage stems from its ability to process and synthesize the complete optimization state into an effective, adaptive policy.

Reinforcement Learning · Deep RL

Alexander Mattick, Dominik Seuß, Christopher Mutschler

Reinforcement Learning (RL) has demonstrated significant success in optimizing complex control and planning problems. However, scaling RL to real-world applications with multiple, potentially conflicting requirements requires an effective handling of constraints. We propose a novel approach to constraint satisfaction in RL algorithms, focusing on incrementally improving policy safety rather than directly projecting the policy onto a feasible region. We accomplish this by first solving a nonparametric surrogate problem which is guaranteed to contract towards the feasible set, and then cloning that solution into a neural network policy. As a result, our approach improves stability, particularly during early training stages, when the policy lacks knowledge of constraint boundaries. We provide general theoretical results guaranteeing convergence to the safe set for this class of incremental systems. Notably, even the simplest algorithm produced by our theory produces comparable or superior performance when compared to highly tuned constrained RL baselines in challenging constrained environments.

Applications · Chemistry and Drug Discovery

Alston Lo, Connor Coley, Wojciech Matusik

Inspired by the effectiveness of genetic algorithms and the importance of synthesizability in molecular design, we present SynGA, a simple genetic algorithm that operates directly over synthesis routes. Our method features custom crossover and mutation operators that explicitly constrain it to synthesizable molecular space. By modifying the fitness function, we demonstrate the effectiveness of SynGA on a variety of design tasks, including synthesizable analog search and sample-efficient property optimization, for both 2D and 3D objectives. Furthermore, by coupling SynGA with a machine learning-based filter that focuses the building block set, we boost SynGA to state-of-the-art performance. For property optimization, this manifests as a model-based variant SynGBO, which employs SynGA and block filtering in the inner loop of Bayesian optimization. Since SynGA is lightweight and enforces synthesizability by construction, our hope is that SynGA can not only serve as a strong standalone baseline but also as a versatile module that can be incorporated into larger synthesis-aware workflows in the future.

Applications · Neuroscience, Cognitive Science

Chanwoo Chun, Abdulkadir Canatar, SueYeon Chung, Daniel Lee

The global dimensionality of a neural representation manifold provides rich insight into the computational process underlying both artificial and biological neural networks. However, all existing measures of global dimensionality are sensitive to the number of samples, i.e., the number of rows and columns of the sample matrix. We show that, in particular, the participation ratio of eigenvalues, a popular measure of global dimensionality, is highly biased with small sample sizes, and propose a bias-corrected estimator that is more accurate with finite samples and with noise. On synthetic data examples, we demonstrate that our estimator can recover the true known dimensionality. We apply our estimator to neural brain recordings, including calcium imaging, electrophysiological recordings, and fMRI data, and to the neural activations in a large language model, and show that our estimator is invariant to the sample size. Finally, our estimators can additionally be used to measure the local dimensionalities of curved neural manifolds by weighting the finite samples appropriately.

Social Aspects · Fairness, Equity, Justice and Safety

Jonathn Chang, Leonhard Piff, Suvadip Sana, Jasmine Li, Lionel Levine

Aligning AI with human values is a pressing unsolved problem. To address the lack of quantitative metrics for value alignment, we propose EigenBench: a black-box method for comparatively benchmarking language models’ values. Given an ensemble of models, a constitution describing a value system, and a dataset of scenarios, our method returns a vector of scores quantifying each model’s alignment to the given constitution. To produce these scores, each model judges the outputs of other models across many scenarios, and these judgments are aggregated with EigenTrust (Kamvar et al., 2003), yielding scores that reflect a weighted consensus judgment of the whole ensemble. EigenBench uses no ground truth labels, as it is designed to quantify subjective traits for which reasonable judges may disagree on the correct label. Hence, to validate our method, we collect human judgments on the same ensemble of models and show that EigenBench’s judgments align closely with those of human evaluators. We further demonstrate that EigenBench can recover model rankings on the GPQA benchmark without access to objective labels, supporting its viability as a framework for evaluating subjective values for which no ground truths exist. The code is available at https://github.com/jchang153/EigenBench.

Theory · Probabilistic Methods

Dror Freirich, Nir Weinberger

When compressing continuous data, some loss of information is inevitable, and this incurred a distortion upon reconstruction. The Rate–Distortion (RD) function characterizes the minimum achievable rate for a code whose decoding permits a specified amount of distortion. We exploit the connection between rate-distortion theory and entropic optimal transport to propose a novel stochastic-control formulation for the former, and use a classic result dating back to Schrodinger to show that the tradeoff between rate and mean squared error distortion is equivalent to a tradeoff between control energy and the differential entropy of the terminal state, whose probability law defines the reconstruction distribution. For a special class of sources, we show that the optimal control law and the corresponding trajectory in the space of probability measures are obtained by solving a backward heat equation. In more general settings, our approach yields a numerical method that estimates the RD function using diffusion processes with a constant diffusion coefficient. We demonstrate the effectiveness of our method through several examples.

Computer Vision · Everything Else

Juntao Liu, Zikun Zhou, Zhuotao Tian, Guangming Lu, Jun Yu, Wenjie Pei

3D single object tracking (SOT) remains a highly challenging task due to the inherent crux in learning representations from point clouds to effectively capture both spatial shape features and temporal motion features. Most existing methods employ a category-specific optimization paradigm, training the tracking model individually for each object category to enhance tracking performance, albeit at the expense of generalizability across different categories. In this work, we propose a robust category-unified 3D SOT model, referred to as SpatioTemporal Point Relation Parsing model (*PointRePar*), which is capable of joint training across multiple categories while excelling in unified feature learning for both spatial shapes and temporal motions. Specifically, the proposed *PointRePar* captures and parses the latent point relations across both spatial and temporal domains to learn superior shape and motion characteristics for robust tracking. On the one hand, it models the multi-scale spatial point relations using a Mamba-based U-Net architecture with adaptive point-wise feature refinement. On the other hand, it captures both the point-level and box-level temporal relations to exploit the latent motion features. Extensive experiments across three benchmarks demonstrate that our *PointRePar* not only outperforms the existing category-unified 3D SOT methods significantly, but also compares favorably against the state-of-the-art category-specific methods. Codes will be released.

Reinforcement Learning · Deep RL

Manuel Wendl, Yarden As, Manish Prajapat, Anton Pollak, Stelian Coros, Andreas Krause

Safe exploration is a key requirement for reinforcement learning agents to learn and adapt online, beyond controlled (e.g. simulated) environments. In this work, we tackle this challenge by utilizing suboptimal yet conservative policies (e.g., obtained from offline data or simulators) as priors. Our approach, SOOPER, uses probabilistic dynamics models to optimistically explore, yet pessimistically fall back to the conservative policy prior if needed. We prove that SOOPER guarantees safety throughout learning, and establish convergence to an optimal policy by bounding its cumulative regret. Extensive experiments on key safe RL benchmarks and real-world hardware demonstrate that SOOPER is scalable, outperforms the state-of-the-art and validate our theoretical guarantees in practice.