Training process reward models (PRMs) requires step-level correctness labels, obtained either through expensive human annotation or by relying on ground-truth answers, limiting the ability to scale process-level supervision. We propose ScalePRM, which scales verification compute as an alternative: given a problem and a candidate solution, we generate multiple independent verifications of each reasoning step and aggregate their judgments to produce synthetic step-level labels without ground truth. We explore two representative inference-time scaling strategies, parallel scaling through self-consistency and sequential scaling through meta-critique, and train generative PRMs on the resulting synthetic data. On ProcessBench, a benchmark for identifying erroneous steps in mathematical reasoning, PRMs trained on step-level self-consistency data achieve 67.5 F1, surpassing reference-guided training with ground-truth access (66.4 F1) and GPT-4o as a critic (61.9 F1). When deployed as reward signals in RL training with Qwen2.5-Math-7B, our best PRM achieves 47.4% average accuracy across six mathematical reasoning benchmarks, outperforming ground-truth-based RLVR (43.9%). We also identify and address reward exploitation patterns unique to generative PRM-based RL. Our results demonstrate that scaling verification compute is a viable alternative to ground-truth supervision for training process reward models.
Salman Rahman, Sruthi Gorantla, Arpit Gupta et al.· 0 citations
Growing demands from tasks like code generation, deep reasoning, and long-document understanding have made long-context generation a crucial capability for large language models (LLMs). Speculative decoding is one of the most direct and effective approaches for accelerating generation. It follows a draft-verify paradigm, where a lightweight draft model proposes several candidate tokens and the target model verifies them. However, we find that as the context length grows, verification becomes the dominant bottleneck. To further accelerate speculative decoding in long-context generation, we introduce SpecPV, a self-speculative decoding approach that performs fast verification using partial key-value states (KV) and periodically applies full verification to eliminate accumulated errors. We validate SpecPV across multiple long-context benchmarks and models, including LLaMA-3.1-8B-Instruct and Qwen3-series. Experimental results show that SpecPV achieves up to 6x decoding speedup over standard autoregressive decoding with minor degradation.
Zhendong Tan, Xingjun Zhang, Chaoyi Hu et al.· 0 citations
Real-world machine learning (ML) pipelines rarely produce a single model; instead, they produce a Rashomon set of many near-optimal ones. We show that this multiplicity reshapes key aspects of trustworthiness. At the individual-model level, sparse interpretable models tend to preserve privacy but are fragile to adversarial attacks. In contrast, the diversity within a large Rashomon set enables reactive robustness: even when an attack compromises one model, a practitioner can switch to a different near-optimal model that remains accurate, without retraining. However, the same diversity increases information leakage, as disclosing more near-optimal models provides an attacker with progressively richer views of the training data. This produces a robustness-privacy trade-off governed by diversity, which we analyze theoretically and empirically. Beyond this trade-off, Rashomon sets are stable under small distribution shifts, so a set computed once remains valid under such shifts without re-computation. Our results highlight the dual role of Rashomon sets as both a resource and a risk for trustworthy ML.
Ethan Hsu, Harry Chen, Chudi Zhong et al.· 0 citations
Deploying deep neural networks on resource-constrained devices faces two critical challenges: maintaining accuracy under aggressive quantization while ensuring predictable inference latency. We present a curiosity-driven quantized Mixture-of-Experts framework that addresses both through Bayesian epistemic uncertainty-based routing across heterogeneous experts (BitNet ternary, 1-16 bit BitLinear, post-training quantization). Evaluated on audio classification benchmarks (ESC-50, Quinn, UrbanSound8K), our 4-bit quantization maintains 99.9 percent of full-precision F1 (0.858 vs 0.859) with 4x compression and 31 percent energy savings versus 8-bit, while both achieve statistical parity with full precision (p > 0.05).
Crucially, curiosity-driven routing simultaneously improves accuracy and stability: on Quinn, F1 increases from 0.802 to 0.809 while cross-fold variance drops by 85 percent (p < 0.001, Levene's test), with reductions of 50 to 94 percent across datasets. The routing is self-organizing, with the high-precision 8-bit expert automatically receiving the most uncertain samples (20 percent lower confidence, p < 0.001), while lightweight experts handle easier inputs. Datasets with already low baseline variance show no artificial stability gain, confirming the mechanism targets genuine epistemic uncertainty rather than overfitting routing decisions.
At 1.2M parameters, the framework provides interpretable, precision-aware routing suitable for safety-sensitive edge deployments where both accuracy and predictability are critical.
Sebasti\'an Andr\'es Cajas Ord\'o\~nez, Luis Fernando Torres Torres, Mackenzie J. Meni et al.· 0 citations
Reach audiences
Advertise in front of researchers, engineers, and readers.
This paper focuses on dynamic origin-destination matrix estimation (DODE), a crucial calibration process necessary for the effective application of microscopic traffic simulations. The fundamental challenge of the DODE problem in microscopic simulations stems from the complex temporal dynamics and inherent uncertainty of individual vehicle dynamics. This makes it highly challenging to precisely determine which vehicle traverses which link at any given moment, resulting in intricate and often ambiguous relationships between origin-destination (OD) matrices and their contributions to resultant link flows. This phenomenon constitutes the credit assignment problem, a central challenge addressed in this study. We formulate the DODE problem as a Markov Decision Process (MDP) and propose a novel framework that applies model-free deep reinforcement learning (DRL). Within our proposed framework, the agent learns an optimal policy to sequentially generate OD matrices, refining its strategy through direct interaction with the simulation environment. This approach was evaluated through a toy experiment on the Nguyen-Dupuis network and a case study utilizing an actual highway subnetwork spanning Santa Clara and San Jose. Experimental results show that the proposed method consistently improves calibration performance relative to the strongest conventional baseline, reducing link-flow MSE by 23.7% in the toy experiment and by 59.2-88.3% in the real-world case study. By reframing DODE as a sequential decision-making problem, our approach addresses the credit assignment challenge through a learned policy and provides a novel framework for calibration of microscopic traffic simulations.
Physics-Informed Neural Networks (PINNs) offer a flexible framework for solving nonlinear partial differential equations (PDEs), yet conventional implementations often fail to preserve key physical invariants during long-term integration. This paper introduces a \emph{structure-preserving PINN} framework for the nonlinear Korteweg--de Vries (KdV) equation, a prototypical model for nonlinear and dispersive wave propagation. The proposed method embeds the conservation of mass and Hamiltonian energy directly into the loss function, ensuring physically consistent and energy-stable evolution throughout training and prediction. Unlike standard \texttt{tanh}-based PINNs~\cite{raissi2019pinn,wang2022modifiedpinn}, our approach employs sinusoidal activation functions that enhance spectral expressiveness and accurately capture the oscillatory and dispersive nature of KdV solitons. Through representative case studies -- including single-soliton propagation (shape-preserving translation), two-soliton interaction (elastic collision with phase shift), and cosine-pulse initialization (nonlinear dispersive breakup) -- the model successfully reproduces hallmark behaviors of KdV dynamics while maintaining conserved invariants. Ablation studies demonstrate that combining invariant-constrained optimization with sinusoidal feature mappings accelerates convergence, improves long-term stability, and mitigates drift without multi-stage pretraining. These results highlight that computationally efficient, invariant-aware regularization coupled with sinusoidal representations yields robust, energy-consistent PINNs for Hamiltonian partial differential equations such as the KdV equation.
Personalized treatment outcome prediction based on trial data for small-sample and rare patient groups is a critical task in precision medicine. However, the high cost and scarcity of trial data limit the prediction performance. To address this issue, we propose a cross-fidelity knowledge distillation and adaptive fusion network (CFKD-AFN), which leverages abundant but low-fidelity simulation data to enhance the prediction on scarce but high-fidelity trial data. CFKD-AFN incorporates a dual-channel knowledge distillation module to extract complementary knowledge from the low-fidelity model, along with an attention-guided fusion module to adaptively integrate multi-source information. Experiments on chronic obstructive pulmonary disease show that CFKD-AFN reduces the mean squared error by 6.67% ~ 74.55% and the mean absolute percentage error by 1.43% ~ 51.54% compared to the evaluated competing methods and remains robust to varying high-fidelity dataset sizes. Furthermore, we extend the CFKD-AFN framework to an interpretable variant for exploratory analysis of feature-attribution patterns associated with treatment outcomes.
Wenjie Chen, Li Zhuang, Ziying Luo et al.· 0 citations
Molecular graph representation learning is widely used in chemical and biomedical research. While pre-trained 2D graph encoders have demonstrated strong performance, they overlook the rich molecular domain knowledge associated with submolecular instances (atoms and bonds). While molecular pre-training approaches incorporate such knowledge into their pre-training objectives, they typically employ designs tailored to a specific type of knowledge, lacking the flexibility to integrate diverse knowledge present in molecules. Hence, reusing widely available and well-validated pre-trained 2D encoders, while incorporating molecular domain knowledge during downstream adaptation, offers a more practical alternative. In this work, we propose MolGA, which adapts pre-trained 2D graph encoders to downstream molecular applications by flexibly incorporating diverse molecular domain knowledge. First, we propose a molecular alignment strategy that bridge the gap between pre-trained topological representations with domain-knowledge representations. Second, we introduce a conditional adaptation mechanism that generates instance-specific tokens to enable fine-grained integration of molecular domain knowledge for downstream tasks. Finally, we conduct extensive experiments on eleven public datasets, demonstrating the effectiveness of MolGA.
Xingtong Yu, Chang Zhou, Xinming Zhang et al.· 0 citations
Learning the dynamics of a process given sampled observations at several time points is an important but difficult task in many scientific applications. When no ground-truth trajectories are available, but one has only snapshots of data taken at discrete time steps, the problem of modelling the dynamics, and thus inferring the underlying trajectories, can be solved by multi-marginal generalisations of flow matching algorithms. This paper proposes a novel flow matching method that overcomes the limitations of existing multi-marginal trajectory inference algorithms. Our proposed method, ALI-CFM, uses a GAN-inspired adversarial loss to fit neurally parametrised interpolant curves between source and target points such that the marginal distributions at intermediate time points are close to the observed distributions. The resulting interpolants are smooth trajectories that, as we show, are unique under mild assumptions. These interpolants are subsequently marginalised by a flow matching algorithm, yielding a trained vector field for the underlying dynamics. We showcase the versatility and scalability of our method by outperforming the existing baselines on spatial transcriptomics and cell tracking datasets, while performing on par with them on single-cell trajectory prediction.
Code: https://github.com/mmacosha/adversarially-learned-interpolants.
Oskar Kviman, Kirill Tamogashev, Nicola Branchini et al.· 0 citations
The Schr\"odinger bridge problem is concerned with finding a stochastic dynamical system bridging two marginal distributions that minimises a certain transportation cost. This problem, which represents a generalisation of optimal transport to the stochastic case, has received attention due to its connections to diffusion models and flow matching, as well as its applications in the natural sciences. However, all existing algorithms allow to infer such dynamics only for cases where samples from both distributions are available. In this paper, we propose the first general method for modelling Schr\"odinger bridges when one (or both) distributions are given by their unnormalised densities, with no access to data samples. Our algorithm relies on a generalisation of the iterative proportional fitting (IPF) procedure to the data-free case, inspired by recent developments in off-policy reinforcement learning for training of diffusion samplers. We demonstrate the efficacy of the proposed data-to-energy IPF on synthetic problems, finding that it can successfully learn transports between multimodal distributions. As a secondary consequence of our reinforcement learning formulation, which assumes a fixed time discretisation scheme for the dynamics, we find that existing data-to-data Schr\"odinger bridge algorithms can be substantially improved by learning the diffusion coefficient of the dynamics. Finally, we apply the newly developed algorithm to the problem of sampling posterior distributions in latent spaces of generative models, thus creating a data-free image-to-image translation method. Code: https://github.com/mmacosha/d2e-stochastic-dynamics
Kirill Tamogashev, Esmeralda S. Whitammer· 0 citations
Graph Neural Networks (GNNs) have achieved remarkable success across a range of learning tasks. However, scaling GNNs to large graphs remains a significant challenge, especially for graph-level tasks. In this work, we introduce SHAKE-GNN, a novel scalable graph-level GNN framework based on a hierarchy of Kirchhoff Forests, a class of random spanning forests used to construct stochastic multi-resolution decompositions of graphs. SHAKE-GNN produces multi-scale representations, enabling flexible trade-offs between efficiency and performance. We introduce an improved, data-driven strategy for selecting the trade-off parameter and analyse the time-complexity of SHAKE-GNN. Experimental results on multiple large-scale graph classification benchmarks demonstrate that SHAKE-GNN achieves competitive performance while offering improved scalability.
Recent advances in self-supervised learning for EEG representation have largely relied on masked reconstruction, where models are trained to recover randomly masked signal segments. While effective at modeling local dependencies, the training objective of masked reconstruction does not compel the model to capture global generative constraints essential for characterizing neural activity. To address this limitation, we propose EEGDM, a novel self-supervised framework that leverages latent diffusion models to generate EEG signals as an objective. Unlike masked reconstruction, diffusion-based generation progressively denoises signals from noise to realism, compelling the model to capture holistic temporal patterns and cross-channel relationships. Specifically, EEGDM incorporates an EEG encoder that distills raw signals and their channel augmentations into a compact representation, which serves as conditional information to guide the diffusion denoising process, thereby enabling the encoder and diffusion model to be jointly optimized through the generative objective. This design endows EEGDM with a compact latent space, which not only offers ample control over the generative process but also can be leveraged for downstream tasks. Experimental results show that EEGDM (1) reconstructs high-quality EEG signals, (2) learns robust representations, and (3) achieves competitive performance across diverse downstream tasks, thus exploring a new direction for self-supervised EEG representation learning.
Shaocong Wang, Tong Liu, Yihan Li et al.· 0 citations
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
A new method for surgically removing training examples from a model reveals that as datasets grow, the link between what a model learns and what it produces dissolves.
