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A unified complexity bound for logconcave sampling

arXiv.org Machine Learning

We give a simple, unified, and nearly tight bound for sampling arbitrary logconcave distributions from a warm start using the In-and-Out algorithm along with exponential lifting. The main new ingredient in the analysis is an improved bound on the Poincaré constant of a lifted distribution. As a consequence, the resulting convergence rate is nearly tight for both constrained settings (e.g., Gaussian restricted to a convex body) and well-conditioned settings (e.g., strongly logconcave and smooth densities).


Physics-Informed Neural Networks for Chemotherapy Pharmacokinetics: Benchmarking the Clinical Estimator and Exposing Parameter Identifiability

arXiv.org Machine Learning

Physics-Informed Neural Networks (PINNs) are an attractive tool for partial-observation problems in biology, where the governing dynamics are known but some compartments cannot be measured. Chemotherapy pharmacokinetics (PK) is a clean instance: drug concentration in plasma is routinely measured, but concentration in tissue -- which determines tumour kill and off-target toxicity -- is not. We benchmark a PINN against the standard clinical baseline (nonlinear least-squares on the analytical biexponential plasma solution, hereafter NLS) and a physics-agnostic neural baseline (a data-only MLP) on two PK problems. On the linear two-compartment problem, NLS is near-optimal; the PINN matches it to within a small constant factor while also producing the tissue curve in a single training pass, whereas the data-only MLP fails on tissue by roughly 10x. On a Michaelis-Menten extension (saturable elimination), the biexponential closed form no longer exists, so NLS is mis-specified and silently returns meaningless rate constants. The PINN instead exposes a deeper fact: the Michaelis-Menten two-compartment model is non-identifiable from plasma alone, and the PINN reports this honestly by converging to a basin with k12 -> 0. Adding two sparse tissue observations largely resolves identifiability: across five seeds the PINN recovers k21 to within 1% of truth and Vmax, Km to within one standard-deviation bar, while k12 moves in the correct direction (0.02 -> 0.82) but remains ~2 sigma below truth -- a recovery the closed-form NLS estimator cannot attempt at all, because its biexponential ansatz describes only plasma. Our claim is not that PINNs beat NLS. It is that PINNs offer a uniform recipe that ties the textbook estimator on the textbook problem, exposes structural identifiability that the textbook estimator hides, and absorbs heterogeneous measurements within a single loss.


Towards More General Control of Diffusion Models Using Jeffrey Guidance

arXiv.org Machine Learning

A key strength of diffusion models lies in their flexibility, since their outputs can be controlled at sampling time through guidance. However, beyond simple cases such as conditional sampling, the target distribution is often left implicit, defined only through a sampling rule or a heuristic energy function. To address this, we propose Jeffrey guidance, a principled framework that extends diffusion-model control to applications beyond what standard guidance can express. It leverages Jeffrey's rule of conditioning to update marginal distributions towards a prescribed target, preserving the conditional structure and minimally perturbing the joint distribution. We first demonstrate Jeffrey guidance by targeting a prescribed embedding distribution. With Inception embeddings as the target, this leads to substantial reductions in FID on both CIFAR-10 and FFHQ. We further apply Jeffrey guidance to fairness on CelebA-HQ, updating an unconditional diffusion model to enforce independence between attributes.


Two-Layer Linear Auto-Regressive Models Estimate Latent States

arXiv.org Machine Learning

Auto-regressive models have emerged as powerful tools for sequential data, from language to video. Understanding how and why these models learn latent representations remains an open theoretical question. In this work, we demonstrate that when trained by empirical risk minimization on data from partially observed linear dynamical systems, two-layer linear auto-regressive models naturally learn to approximate Kalman filtering. In particular, we show that the learned hidden representation coincides, up to a similarity transformation, with the state estimates produced by the optimal (Kalman) filter, even though the model has no explicit knowledge of the underlying dynamics or state. The result follows from three main insights. First, we establish that the Kalman filter is well approximated by an auto-regressive model with bounded truncation error. Second, we show that despite non-convexity, the two-layer optimization landscape is benign, i.e., all stationary points are either strict saddles or global minima. Finally, as our main contributions, we provide finite-sample guarantees on prediction error, parameter estimation error, and latent state recovery. Numerical simulations support the theoretical results and demonstrate that the latent representations of auto-regressive models recover state estimates.


A Quadratic Order Reduction -- Gaussian Process Ordinary Differential Equation framework for the inference of Large Continuous Dynamical Systems

arXiv.org Machine Learning

Forecasting the evolution of complex dynamical systems remains a fundamentally challenging task, primarily due to pronounced nonlinear interactions, high-dimensional state spaces, and the concomitant requirement for rigorous and reliable uncertainty quantification. Contemporary reduced-order modelling (ROM) frameworks frequently exhibit inherent trade-offs among predictive accuracy, numerical stability, and interpretability, and thus often fail to achieve an optimal balance among these competing objectives. To address these limitations, we propose a framework for forecasting complex dynamical systems via a kernel autonomous ordinary differential equation approach based on Gaussian Processes and Quadratic Order Model Reduction. Our base method, the Gaussian Process Ordinary Differential Equations model, allows accurate short-term forecasting with uncertainty quantification, and it provably converges to the real autonomous equation in the smooth case. We integrate it with quadratic order reduced-order modelling and sphere projection for learning the latent dynamics efficiently while preserving stability. Numerical experiments demonstrate that our full model outperforms ROM forecasting methods such as Extended Dynamic Mode Decomposition, Bagging Optimised Dynamic Mode Decomposition and Linear and Nonlinear Disambiguation Optimisation in terms of accuracy or computational costs. These results demonstrate the potential of the framework as a robust and stable tool for forecasting complex dynamical systems with rigorous uncertainty quantification.


Limitations of Learning Tanh Neural Networks with Finite Precision

arXiv.org Machine Learning

We investigate limitations of learning $\tanh$ neural networks from point evaluations under finite-precision computations and $L^p$ accuracy guarantees, building on Berner, Grohs, and Voigtländer (2023). Our approach is based on a novel construction of sharply localized bump functions via iterated $\tanh$ activations. Using this mechanism, we show that, in a finite-precision setting, no adaptive randomized algorithm based on $m$ samples can achieve a convergence rate higher than the Monte Carlo rate $O(m^{-1/p})$ in the $L^p$ norm, unless the sampling budget grows exponentially with the size of the network parameters and architecture. The results reveal fundamental limitations imposed by finite precision on the learnability of classes containing localized bump functions, extending previous results for ReLU networks to the $\tanh$ setting.


Dual Prototype-Enhanced Contrastive Framework for Class-Imbalanced Graph Domain Adaptation

Neural Information Processing Systems

Graph transfer learning, especially in unsupervised domain adaptation, aims to transfer knowledge from a label-abundant source graph to an unlabeled target graph. However, most existing approaches overlook the common issue of label imbalance in the source domain, typically assuming a balanced label distribution that rarely holds in practice. Moreover, they face challenges arising from biased knowledge in the source graph and substantial domain distribution shifts. To remedy the above challenges, we propose a dual-branch prototype-enhanced contrastive framework for class-imbalanced graph domain adaptation in this paper. Specifically, we introduce a dual-branch graph encoder to capture both local and global information, generating class-specific prototypes from a distilled anchor set. Then, a prototype-enhanced contrastive learning framework is introduced. On the one hand, we encourage class alignment between the two branches based on constructed prototypes to alleviate the bias introduced by class imbalance. On the other hand, we infer the pseudo-labels for the target domain and align sample pairs across domains that share similar semantics to reduce domain discrepancies. Experimental results show that our ImGDA outperforms the state-of-the-art methods across multiple datasets and settings.


S-GRPO: Early Exit via Reinforcement Learning in Reasoning Models

Neural Information Processing Systems

As Test-Time Scaling emerges as an active research focus in the large language model community, advanced post-training methods increasingly emphasize extending chain-of-thought (CoT) generation length, thereby enhancing reasoning capabilities to approach Deepseek R1-like reasoning models. However, recent studies reveal that reasoning models (even Qwen3) consistently exhibit excessive thought redundancy in CoT generation. This overthinking issue arises from the inherent limitations of conventional outcome-reward reinforcement learning, which systematically overlooks the regulation of intermediate reasoning processes. This paper introduces Serial-Group Decaying-Reward Policy Optimization (S-GRPO), a novel reinforcement learning paradigm that enables models to implicitly evaluate the sufficiency of intermediate reasoning steps, thereby facilitating early exit in CoT generation. Unlike GRPO, which samples multiple possible reasoning paths in parallel (parallel group), S-GRPO only samples one reasoning path and serially selects multiple temporal positions from the path to exit thinking and directly generate answers (serial group). For correct answers within a serial group, rewards gradually decrease based on the exit positions along the reasoning path from front to back. This design encourages the model to produce more accurate and concise thoughts, while also incentivizing early thinking termination when appropriate. Empirical evaluations demonstrate that S-GRPO is compatible with state-of-the-art reasoning models, including Qwen3 and Deepseek-distill. Across diverse benchmarks such as GSM8K, AIME 2024, AMC 2023, MATH-500, and GPQA Diamond, S-GRPO achieves a substantial reduction in sequence length (40.4% 61.1%) while simultaneously improving accuracy (absolute 0.72% 3.92%).


Nested Learning: The Illusion of Deep Learning Architectures

Neural Information Processing Systems

Over the last decades, developing more powerful neural architectures and simultaneously designing optimization algorithms to effectively train them have been the core of research efforts to enhance the capability of machine learning models. Despite the recent progresses, particularly in developing Language Models (LMs), there are fundamental challenges and unanswered questions about how such models can continually learn/memorize, self-improved, and find ''effective solutions,''. In this paper, we present a new learning paradigm, called Nested Learning (NL), that coherently represents a model with a set of nested, multi-level, and/or parallel optimization problems, each of which with its own ''context flow''. NL reveals that existing deep learning methods learns from data through \emph{compressing} their own context flow, and explain how in-context learning emerges in large models. NL suggests a path (a new dimension to deep learning) to design more expressive learning algorithms with more ''levels'', resulting in higher-order in-context learning abilities. In addition to its neuroscientifically plausible and mathematically white-box nature, we advocate for its importance by presenting three core contributions: (1) Deep Optimizers: Based on NL, we show that well-known gradient-based optimizers (e.g., Adam, SGD with Momentum, etc.) are in fact associative memory modules that aim to compress the gradients with gradient descent. Building on this insight, we present a set of more expressive optimizers with deep memory and/or more powerful learning rules; (2) Self-Modifying Titans: Taking advantage of NL's insights on learning algorithms, we present a novel sequence model that learns how to modify itself by learning its own update algorithm; and (3) Continuum Memory System: We present a new formulation for memory system that generalizes the traditional viewpoint of ``long-term/short-term memory''. Combining our self-modifying sequence model with the continuum memory system, we present a learning module, called Hope, showing promising results in language modeling, continual learning, and long-context reasoning tasks.


Handling Label Noise via Instance-Level Difficulty Modeling and Dynamic Optimization

Neural Information Processing Systems

Recent studies indicate that deep neural networks degrade in generalization performance under noisy supervision. Existing methods focus on isolating clean subsets or correcting noisy labels, facing limitations such as high computational costs, heavy hyperparameter tuning process, and coarse-grained optimization. To address these challenges, we propose a novel two-stage noisy learning framework that enables instance-level optimization through a dynamically weighted loss function, avoiding hyperparameter tuning. To obtain stable and accurate information about noise modeling, we introduce a simple yet effective metric, termed $\textit{wrong event}$, which dynamically models the cleanliness and difficulty of individual samples while maintaining computational costs. Our framework first collects $\textit{wrong event}$ information and builds a strong base model. Then we perform noise-robust training on the base model, using a probabilistic model to handle the $\textit{wrong event}$ information of samples. Experiments on six synthetic and real-world LNL benchmarks demonstrate our method surpasses state-of-the-art methods in performance, achieves a nearly 75\% reduction in storage and computational time, strongly improving model scalability.