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TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials

Neural Information Processing Systems

The development of efficient machine learning models for molecular systems representation is becoming crucial in scientific research. We introduce TensorNet, an innovative O(3)-equivariant message-passing neural network architecture that leverages Cartesian tensor representations. By using Cartesian tensor atomic embeddings, feature mixing is simplified through matrix product operations. Furthermore, the cost-effective decomposition of these tensors into rotation group irreducible representations allows for the separate processing of scalars, vectors, and tensors when necessary. Compared to higher-rank spherical tensor models, TensorNet demonstrates state-of-the-art performance with significantly fewer parameters. For small molecule potential energies, this can be achieved even with a single interaction layer. As a result of all these properties, the model's computational cost is substantially decreased. Moreover, the accurate prediction of vector and tensor molecular quantities on top of potential energies and forces is possible. In summary, TensorNet's framework opens up a new space for the design of state-of-the-art equivariant models.






6 Supplementary Material 6.1 Network Architecture

Neural Information Processing Systems

The section explains detailed CipherNav network architecture in Table 4, 5 and 6. The view encoder E is shown in Table 4 and map encoder E is shown in Table 5. The encoders are trained end-to-end during plaintext training and freezed during ciphertext training. Each party has a copy of the encoder models and locally computes all forward passes in ciphertext training. The action classification network Gis shown in Table 6.


Circa: Stochastic ReLUs for Private Deep Learning

Neural Information Processing Systems

The simultaneous rise of machine learning as a service and concerns over user privacy have increasingly motivated the need for private inference (PI). While recent work demonstrates PI is possible using cryptographic primitives, the computational overheads render it impractical. State-of-art deep networks are inadequate in this context because the source of slowdown in PI stems from the ReLU operations whereas optimizations for plaintext inference focus on reducing FLOPs. In this paper we re-think ReLU computations and propose optimizations for PI tailored to properties of neural networks. Specifically, we reformulate ReLU as an approximate sign test and introduce a novel truncation method for the sign test that significantly reduces the cost per ReLU. These optimizations result in a specific type of stochastic ReLU. The key observation is that the stochastic fault behavior is well suited for the fault-tolerant properties of neural network inference. Thus, we provide significant savings without impacting accuracy. We collectively call the optimizations Circa and demonstrate improvements of up to 4.7 storage and 3 runtime over baseline implementations; we further show that Circa can be used on top of recent PI optimizations to obtain 1.8 additional speedup.




Low-Rank Compression of Pretrained Models via Randomized Subspace Iteration

arXiv.org Machine Learning

The massive scale of pretrained models has made efficient compression essential for practical deployment. Low-rank decomposition based on the singular value decomposition (SVD) provides a principled approach for model reduction, but its exact computation is expensive for large weight matrices. Randomized alternatives such as randomized SVD (RSVD) improve efficiency, yet they can suffer from poor approximation quality when the singular value spectrum decays slowly, a regime commonly observed in modern pretrained models. In this work, we address this limitation from both theoretical and empirical perspectives. First, we establish a connection between low-rank approximation error and predictive performance by analyzing softmax perturbations, showing that deviations in class probabilities are controlled by the spectral error of the compressed weights. Second, we demonstrate that RSVD is inadequate, and we propose randomized subspace iteration (RSI) as a more effective alternative. By incorporating multiple power iterations, RSI improves spectral separation and provides a controllable mechanism for enhancing approximation quality. We evaluate our approach on both convolutional networks and transformer-based architectures. Our results show that RSI achieves near-optimal approximation quality while outperforming RSVD in predictive accuracy under aggressive compression, enabling efficient model compression.