相关论文: Clifford Group Equivariant Diffusion Models for 3D…

Many generative tasks in chemistry and science involve distributions invariant to group symmetries (e.g., permutation and rotation). A common strategy enforces invariance and equivariance through architectural constraints such as…

We present a cascaded diffusion model based on a part-level implicit 3D representation. Our model achieves state-of-the-art generation quality and also enables part-level shape editing and manipulation without any additional training in…

Diffusion models, a family of generative models based on deep learning, have become increasingly prominent in cutting-edge machine learning research. With a distinguished performance in generating samples that resemble the observed data,…

Molecular conformation generation, a critical aspect of computational chemistry, involves producing the three-dimensional conformer geometry for a given molecule. Generating molecular conformation via diffusion requires learning to reverse…

Diffusion language models have recently emerged as a competitive alternative to autoregressive language models. Beyond next-token generation, they are more efficient and flexible by enabling parallel and any-order token generation. However,…

Cryo-EM reconstruction algorithms seek to determine a molecule's 3D density map from a series of noisy, unlabeled 2D projection images captured with an electron microscope. Although reconstruction algorithms typically model the 3D volume as…

We propose models of quantum neural networks through Clifford algebras, which are capable of capturing geometric features of systems and to produce entanglement. Due to their representations in terms of Pauli matrices, the Clifford algebras…

Deep Generative Models are frequently used to learn continuous representations of complex data distributions using a finite number of samples. For any generative model, including pre-trained foundation models with Diffusion or Transformer…

Is there more to Dirac's gamma matrices than meets the eye? It turns out that gamma zero can be factorized into a product of three operators. This revelation facilitates the expansion of Dirac's space-time algebra to Clifford algebra…

Many particle physics datasets like those generated at colliders are described by continuous coordinates (in contrast to grid points like in an image), respect a number of symmetries (like permutation invariance), and have a stochastic…

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be…

Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…

Molecular structure elucidation from spectra is a fundamental challenge in molecular science. Conventional approaches rely heavily on expert interpretation and lack scalability, while retrieval-based machine learning approaches remain…

The geometric calculus based on Clifford algebra is a very useful tool for geometry and physics. It describes a geometric structure which is much richer than the ordinary geometry of spacetime. A Clifford manifold (C-space) consists not…

I apply the algebraic framework developed in arXiv:1101.4542 to study geometry of elliptic spaces in 1, 2, and 3 dimensions. The background material on projectivised Clifford algebras and their application to Cayley-Klein geometries is…

The measurements performed by particle physics experiments must account for the imperfect response of the detectors used to observe the interactions. One approach, unfolding, statistically adjusts the experimental data for detector effects.…

The vast applications of deep generative models are anchored in three core capabilities -- generating new instances, reconstructing inputs, and learning compact representations -- across various data types, such as discrete text/protein…

I apply the algebraic framework introduced in arXiv:1101.4542v3[math.MG] to Minkowski (pseudo-Euclidean) spaces in 2, 3, and 4 dimensions. The exposition follows the template established in arXiv:1307.2917[math.MG] for Euclidean spaces. The…

Diffusion models have emerged as a powerful new family of deep generative models with record-breaking performance in many applications, including image synthesis, video generation, and molecule design. In this survey, we provide an overview…

Calculus and geometry are ubiquitous in the theoretical modelling of scientific phenomena, but have historically been very challenging to apply directly to real data as statistics. Diffusion geometry is a new theory that reformulates…