Approaching I/O-optimality for Approximate Attention

We revisit the I/O complexity of attention in large language models. Given query-key-value matrices $Q,K,V\in\mathbb{R}^{n\times d}$, and a machine with fast memory size $M$, the goal is to compute the "attention matrix" $A=\mathrm{softmax}(QK^{\top}/\sqrt{d})V$ with the minimal number of data transfers between fast and slow memory. Existing methods in the literature, most notably FlashAttention and its variants, incur an I/O cost that depends quadratically on $n$, while a trivial lower bound only requires $\Omega(nd)$ I/O's to read the inputs and write the output. In this work, we present a technique for computing attention where the I/O cost only depends almost-linearly on $n$ in most parameter regimes. This is achieved by developing I/O-efficient algorithms inspired by the recent approximate attention framework of Alman and Song [NeurIPS'23]. We also prove corresponding lower bounds in each parameter regime to show that our algorithms are indeed close to I/O-optimal.