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 Deep Learning


TacticZero: Learning to Prove Theorems from Scratch with Deep Reinforcement Learning

Neural Information Processing Systems

We propose a novel approach to interactive theorem proving (ITP) using deep reinforcement learning. The proposed framework is able to learn proof search strategies as well as tactic and arguments prediction in an end-to-end manner. We formulate the process of ITP as a Markov decision process (MDP) in which each state represents a set of potential derivation paths. This structure allows us to introduce a search mechanism which enables the agent to efficiently discard (predicted) dead-end derivations and restart from promising alternatives. We implement the framework in the HOL4 theorem prover. Experimental results show that the framework using learned search strategies outperforms existing automated theorem provers (i.e.


Qu-ANTI-zation: Exploiting Quantization Artifacts for Achieving Adversarial Outcomes

Neural Information Processing Systems

Quantization is a popular technique that transforms the parameter representation of a neural network from floating-point numbers into lower-precision ones (e.g., 8-bit integers). It reduces the memory footprint and the computational cost at inference, facilitating the deployment of resource-hungry models. However, the parameter perturbations caused by this transformation result in behavioral disparities between the model before and after quantization. For example, a quantized model can misclassify some test-time samples that are otherwise classified correctly. It is not known whether such differences lead to a new security vulnerability.





Pay Attention to MLPs

Neural Information Processing Systems

Transformers [1] have become one of the most important architectural innovations in deep learning and have enabled many breakthroughs over the past few years. Here we propose a simple network architecture, gMLP, based on MLPs with gating, and show that it can perform as well as Transformers in key language and vision applications. Our comparisons show that self-attention is not critical for Vision Transformers, as gMLP can achieve the same accuracy. For BERT, our model achieves parity with Transformers on pretraining perplexity and is better on some downstream NLP tasks. On finetuning tasks where gMLP performs worse, making the gMLP model substantially larger can close the gap with Transformers. In general, our experiments show that gMLP can scale as well as Transformers over increased data and compute.





Graph Denoising Diffusion for Inverse Protein Folding

Neural Information Processing Systems

Inverse protein folding is challenging due to its inherent one-to-many mapping characteristic, where numerous possible amino acid sequences can fold into a single, identical protein backbone. This task involves not only identifying viable sequences but also representing the sheer diversity of potential solutions. However, existing discriminative models, such as transformer-based auto-regressive models, struggle to encapsulate the diverse range of plausible solutions. In contrast, diffusion probabilistic models, as an emerging genre of generative approaches, offer the potential to generate a diverse set of sequence candidates for determined protein backbones. We propose a novel graph denoising diffusion model for inverse protein folding, where a given protein backbone guides the diffusion process on the corresponding amino acid residue types. The model infers the joint distribution of amino acids conditioned on the nodes' physiochemical properties and local environment. Moreover, we utilize amino acid replacement matrices for the diffusion forward process, encoding the biologically meaningful prior knowledge of amino acids from their spatial and sequential neighbors as well as themselves, which reduces the sampling space of the generative process. Our model achieves state-of-the-art performance over a set of popular baseline methods in sequence recovery and exhibits great potential in generating diverse protein sequences for a determined protein backbone structure.