Category

machine learning

325 papers

Spikformer V2: Join the High Accuracy Club on ImageNet with an SNN Ticket

This work introduces a pioneering exploration of Self-Supervised Learning (SSL) within the SNN, and proposes a novel Spiking Self-Attention (SSA) and Spiking Transformer (Spikformer) that achieves 80+% accuracy on ImageNet.

Zhaokun Zhou, Kaiwei Che, Wei Fang et al. · 69 citations · ⚡10
#machine learning Conference Open access Feb 2023

EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction

EquiPocket is proposed, an E(3)-equivariant Graph Neural Network for binding site prediction, which comprises three modules: the first one to extract local geometric information for each surface atom, the second one to model both the chemical and spatial structure of protein and the last one to capture the geometry of the surface via equivariant message passing over the surface atoms.

Yang Zhang, Wenbing Huang, Zhewei Wei et al. · 43 citations · ⚡4

The Optimal Sample Complexity of Multiclass and List Learning

It is shown that the maximum hypergraph density of any multiclass hypothesis class is upper-bounded by its DS dimension, which proves a longstanding conjecture of Daniely and Shalev-Shwartz (2014) and determines the optimal dependence of the sample complexity on the DS dimension for multiclass as well as list learning.

Chirag Pabbaraju · 7 citations · ⚡4

Fermi-Dirac thermal measurements: A framework for quantum hypothesis testing and semidefinite optimization

Quantum measurements are the means by which we recover messages encoded into quantum states. They are at the forefront of quantum hypothesis testing, wherein the goal is to perform an optimal measurement for arriving at a correct conclusion. Mathematically, a measurement operator is Hermitian with eigenvalues in [0,1]. By noticing that this constraint on each eigenvalue is the same as that imposed on fermions by the Pauli exclusion principle, we interpret every eigenmode of a measurement operator as an independent effective fermionic mode. Under this perspective, various objective functions in quantum hypothesis testing can be viewed as the total expected energy associated with these fermionic occupation numbers. By instead fixing a temperature and minimizing the total expected fermionic free energy, we find that optimal measurements for these modified objective functions are Fermi-Dirac thermal measurements, wherein their eigenvalues are specified by Fermi-Dirac distributions. In the low-temperature limit, their performance closely approximates that of optimal measurements for quantum hypothesis testing, and we show that their parameters can be learned by classical or hybrid quantum-classical optimization algorithms. This leads to a new quantum machine-learning model, termed Fermi-Dirac machines, consisting of parameterized Fermi-Dirac thermal measurements-an alternative to quantum Boltzmann machines based on thermal states. Beyond hypothesis testing, we show how general semidefinite optimization problems can be solved using this approach, leading to a novel paradigm for semidefinite optimization on quantum computers, in which the goal is to implement thermal measurements rather than prepare thermal states. Finally, we propose quantum algorithms for implementing Fermi-Dirac thermal measurements, and we also propose second-order hybrid quantum-classical optimization algorithms.

Nana Liu, Mark M. Wilde · 6 citations
#artificial intelligence Review Open access Jan 2026

A systematic review of machine learning techniques to address diagnosis and treatment of autism: challenges and opportunities

This systematic review evaluates 55 studies from 2017 to 2023 on the application of machine learning techniques to ASD, highlighting key challenges and opportunities, particularly the need for models that can integrate complex data to improve diagnostic accuracy and treatment outcomes.

Rafael Muñoz-Terol, Jesús Peral, Sandra Amador et al. · 4 citations · ⚡1

Convergent Evolution: How Different Language Models Learn Similar Number Representations

This paper identifies two different routes through which models can acquire geometrically separable features: they can learn them from complementary co-occurrence signals in general language data, including text-number co-occurrence and cross-number interaction, or from multi-token addition problems.

Deqing Fu, Tianyi Zhou, Mikhail Belkin et al. · 3 citations

SimulRAG: Simulator-based RAG for Grounding LLMs in Long-form Scientific QA

SimulRAG, a simulator-based RAG framework with a generalized retrieval interface that translates between text and simulator parameters/outputs, is proposed, which improves informativeness and factuality over the strongest adapted RAG baselines, while UE+SBA enhances claim-level efficiency and quality.

Haozhou Xu, D. Wu, M. Chinazzi et al. · 3 citations
#machine learning Preprint Oct 2025

One Pipeline, Many Transformers: Pattern-Specific Imputation Specialists for Tabular Missing Data

A single pre-training pipeline that builds transformer-based imputation specialists through three components: an entry-wise featurization that recasts imputation as supervised prediction over row--column context, a synthetic data generator with pluggable missingness modules, and prior-data fitting on millions of synthetic tables.

Jacob Feitelberg, Dwaipayan Saha, Kyuseong Choi et al. · 2 citations · ⚡1
#artificial intelligence Open access May 2025

TabularQGAN: a quantum generative model for tabular data synthesis

A novel quantum generative model for synthesizing tabular data by proposing a quantum generative adversarial network architecture with flexible data encoding and a novel quantum circuit ansatz for effectively modeling tabular data is introduced.

P. Bhardwaj, Caitlin Jones, Lasse Dierich et al. · 2 citations
#machine learning Preprint Aug 2026

Non-KKT Accumulation in Entropic Mirror Descent

For mirror descent generated by a Legendre kernel, perhaps one of the most basic question in optimization is this: must every accumulation point of a bounded mirror descent sequence be Karush--Kuhn--Tucker (KKT) stationary under proper stepsizes? We show that the answer is no. A longstanding obstacle to resolving this question is the boundary blow-up of the Legendre gradient: it keeps every mirror step in the interior, while at a boundary limit, the inverse entropy metric vanishes on active coordinates and can erase the dual-feasibility in the KKT system. We construct $C^\infty$ objectives and bounded sequences generated by the Shannon-entropic mirror descent on the nonnegative orthant $\R_+^n$, for every $n\geq 3$, and on the probability simplex $\Delta_n$, for every $n\geq 4$, such that, in each case, the set of accumulation points is a smooth boundary circle containing a nonempty relatively open arc of non-KKT points. The steps satisfy $\alpha_k\asymp k^{-\beta}$ with $\beta\in(1/2,1)$, the objective values are nonincreasing, and the objectives are entropy-relatively smooth. Hence the pathology stems from the degeneracy of the Bregman geometry at the boundary, rather than from failure of descent, or improper stepsizes. To the best of our knowledge, these provide the first counterexamples to KKT accumulation for bounded mirror descent sequences with nonincreasing objective values.

Kuangyu Ding, Kim-Chuan Toh · 1 citation

From Diffusion To Flow: Efficient Motion Generation In MotionGPT3

Comparing diffusion and rectified flow objectives within the MotionGPT3 framework suggests that several known benefits of rectified flow objectives do extend to continuous-latent text-to-motion generation, highlighting the importance of the training objective choice in motion priors.

Jaymin Ban, J. Jeon, Sang-jun Jeong · 1 citation

From tech blogs

See all →