Vagrant Story is ridiculous. Pretty much the only way to beat the hardest boss in the game is to be equipped with a really powerful two-handed sword, attack as much as you can, and then just before it uses its big ultimate attack switch to a really powerful shield.
Dual Orb 2, Legend of Legaia, SMT Nocturne, and Xenogears 2 are all pretty ridiculous too.
Dual Orb 2 is like... holy shit. I think I beat once, though I'm not sure, but I tried to beat the first boss about a month back when I started a new game and I got killed in 3 or so turns.
I'm probably remembering wrong, but I don't recall Xenosaga 1 being very hard. At least, I remember 2 being harder. The battle system in 2 was really frustrating though, because as Rowain has said, if you accidentally hit the wrong button you are pretty much guaranteed to lose. 3 is stupid easy if you do the hidden shit (which is pretty easy in and of itself really). I killed the final boss in 2 turns, and one of those was just to buff MOMO. It is fairly difficult near the end if you don't get the hidden stuff though.
But yeah Vagrant Story is probably the hardest because, while most bosses don't have timing quite as important as that (if you don't switch to a shield I'm pretty sure it's impossible to survive), they'll still fuck you up if you are off a bit.